A0A096N2Z6_PAPAN Loading...

Zinc finger and BTB domain-containing protein 17

AlphaFold DB (A0A2K6CXM9), UniProt , Accession A0A096N2Z6, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB17, Length 807 aa.

						>A0A096N2Z6_PAPAN|A0A096N2Z6|ZBTB17
MDFPQHSQHVLEQLNQQRQLGLLCDCTFVVDGVHFKAHKAVLAACSEYFKMLFVDQKDVVHLDISNAAGLGQVLEFMYTAKLSLSPENVDDVLAVATFLQMQDIITACHALKSLAEPATSPGGNAEALATEGGDKRAKEEKAATSTLSRLEQAGRSAPTGPSRDLKEERGGQAQSAASGAEQTEKADAPREPPPVELKPDPTSGMAAAEAEAALCESSEQEMEVEPARKGEEEQEEQEEEGAGPAEVKEEGPQLENGEAPEENENEESAGTDSGQELGAEARGLRSGTYGDRTESKAYGSVIHKCEDCGKEFTHTGNFKRHIRIHTGEKPFSCRECSKAFSDPAACKAHEKTHSPLKPYGCEECGKSYRLISLLNLHKKRHSGEARYRCEDCGKLFTTSGNLKRHQLVHSGEKPYQCDYCGRSFSDPTSKMRHLETHDTDKEHKCPHCDKKFNQVGNLKAHLKIHIADGPLKCRECGKQFTTSGNLKRHLRIHSGEKPYVCIHCQRQFADPGALQRHVRIHTGEKPCQCVMCGKAFTQASSLIAHVRQHTGEKPYVCERCGKRFVQSSQLANHIRHHDNIRPHKCSVCSKAFVNVGDLSKHIIIHTGEKPYLCDKCGRGFNRVDNLRSHVKTVHQGKAGIKILEPEEGSEVSVVTVDDMVTLATEALAATAVTQLTGPATLPAVVPVGAAVTADETEVLKAEISKAVKQVQEEDPNTHILYACDSCGDKFLDANSLAQHVRIHTAQALVMFQTDADFYQQYGPGGTWPAGQVLQAGELVFRPRDGAEGQPALAETSPTAPECPPPAE
					

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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	31.5	Very low	40.9	Very low	211 Å²	211	128.9 Å²	128.9	100%	1.039	65%	0.653	S	S	*	*				0	80.4	0	-85.6	-59.4	-80.5	0	0	108.7	F3	M1-F3 PolarHBondContact O-N 3.09Å; M1-F3 VanDerWaalsContact O-N 3.13Å
2	D	37	Very low	41.9	Very low	142 Å²	142	128.1 Å²	128.1	76%	0.759	65%	0.645	S	S	*	*			trans	-102.7	57.2	-145	-53.8	-72.6	0	0	0	112.6
3	F	35	Very low	42.2	Very low	158 Å²	158	126.4 Å²	126.4	69%	0.693	63%	0.633	S	S	*	*			trans	-129.4	80.5	173.5	-75.2	-78.1	0	0	0	111.1	M1 Q5 H6 S7	M1-F3 PolarHBondContact O-N 3.09Å; M1-F3 VanDerWaalsContact O-N 3.13Å; F3-Q5 VanDerWaalsContact C-N 3.27Å; F3-Q5 PolarHBondContact O-N 3.38Å; F3-Q5 VanDerWaalsContact O-N 3.13Å; F3-H6 PolarHBondContact O-N 3Å; F3-S7 PolarHBondContact O-N 2.86Å
4	P	41.8	Very low	42.3	Very low	93 Å²	93	122.6 Å²	122.6	60%	0.604	62%	0.616	S	S	*	*	H	α-helix	trans	-58.6	-30.8	-168.5	-27.6	36	0	0	0	115.6	S7 Q8	P4-S7 WeakPolarHBondContact CA-OG 3.35Å; P4-S7 PolarHBondContact O-OG 3.32Å; P4-S7 VanDerWaalsContact O-OG 3.07Å; P4-Q8 PolarHBondContact O-N 3.09Å
5	Q	39.3	Very low	42.9	Very low	166 Å²	166	119.8 Å²	119.8	78%	0.776	60%	0.603	S	S	*	*	H	α-helix	trans	-75.9	-34.3	-175.9	-68.8	170.6	-18.1	0	0	112.6	F3 H9	F3-Q5 VanDerWaalsContact C-N 3.27Å; F3-Q5 PolarHBondContact O-N 3.38Å; F3-Q5 VanDerWaalsContact O-N 3.13Å; Q5-H9 PolarHBondContact O-N 3.18Å
6	H	38.4	Very low	43.5	Very low	142 Å²	142	119.4 Å²	119.4	66%	0.657	60%	0.599	S	S	*	*	H	α-helix	trans	-78.9	-36.3	175.5	-80.5	79.9	0	0	0	111.6	F3 H9 V10	F3-H6 PolarHBondContact O-N 3Å; H6-H9 PolarHBondContact O-N 3.35Å; H6-V10 WeakPolarHBondContact O-CB 3.37Å; H6-V10 VanDerWaalsContact O-CG2 3.32Å; H6-V10 WeakPolarHBondContact O-CG2 3.4Å; H6-V10 PolarHBondContact O-N 3.48Å
7	S	43.6	Very low	43.8	Very low	55 Å²	55	116.5 Å²	116.5	39%	0.385	58%	0.583	S	S	.	*	H	α-helix	trans	-65.5	-40.7	177.1	60.2	0	0	0	0	112.2	F3 P4 L11	F3-S7 PolarHBondContact O-N 2.86Å; P4-S7 WeakPolarHBondContact CA-OG 3.35Å; P4-S7 PolarHBondContact O-OG 3.32Å; P4-S7 VanDerWaalsContact O-OG 3.07Å; S7-L11 VanDerWaalsContact O-CB 3.28Å; S7-L11 WeakPolarHBondContact O-CB 3.47Å; S7-L11 WeakPolarHBondContact O-CD1 3.39Å; S7-L11 WeakPolarHBondContact O-CG 3.45Å; S7-L11 PolarHBondContact O-N 3.06Å
8	Q	44.8	Very low	44.3	Very low	139 Å²	139	119 Å²	119	65%	0.65	58%	0.584	S	S	*	*	H	α-helix	trans	-59.9	-50.2	172.9	-80.5	-172.4	-37.7	0	0	112.1	P4 V10 L11 E12	P4-Q8 PolarHBondContact O-N 3.09Å; Q8-V10 VanDerWaalsContact C-N 3.33Å; Q8-V10 PolarHBondContact O-N 3.06Å; Q8-L11 PolarHBondContact O-N 3.32Å; Q8-E12 VanDerWaalsContact O-CB 3.28Å; Q8-E12 WeakPolarHBondContact O-CB 3.47Å; Q8-E12 PolarHBondContact O-N 3.44Å
9	H	44.2	Very low	44.4	Very low	129 Å²	129	121.5 Å²	121.5	60%	0.597	59%	0.594	S	S	*	*	H	α-helix	trans	-65.5	-36	-177	-152.7	51.8	0	0	0	112.4	Q5 H6 Q13	Q5-H9 PolarHBondContact O-N 3.18Å; H6-H9 PolarHBondContact O-N 3.35Å; H9-Q13 WeakPolarHBondContact O-CB 3.46Å; H9-Q13 PolarHBondContact O-N 3.08Å
10	V	46.5	Very low	44.7	Very low	77 Å²	77	121.7 Å²	121.7	47%	0.467	60%	0.598	S	S	.	*	H	α-helix	trans	-69.3	-40.9	173.4	171.9	0	0	0	0	112	H6 Q8 E12 Q13 L14	H6-V10 WeakPolarHBondContact O-CB 3.37Å; H6-V10 VanDerWaalsContact O-CG2 3.32Å; H6-V10 WeakPolarHBondContact O-CG2 3.4Å; H6-V10 PolarHBondContact O-N 3.48Å; Q8-V10 VanDerWaalsContact C-N 3.33Å; Q8-V10 PolarHBondContact O-N 3.06Å; V10-E12 VanDerWaalsContact C-N 3.35Å; V10-Q13 PolarHBondContact O-N 3.26Å; V10-L14 HydrophobicContact CG1-CD1 3.96Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CB 3.44Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 2.93Å
11	L	47.7	Very low	44.6	Very low	106 Å²	106	118.6 Å²	118.6	56%	0.555	60%	0.597	S	S	*	*	H	α-helix	trans	-65.1	-37.8	174.9	-84	162.1	0	0	0	112.4	S7 Q8 N15	S7-L11 VanDerWaalsContact O-CB 3.28Å; S7-L11 WeakPolarHBondContact O-CB 3.47Å; S7-L11 WeakPolarHBondContact O-CD1 3.39Å; S7-L11 WeakPolarHBondContact O-CG 3.45Å; S7-L11 PolarHBondContact O-N 3.06Å; Q8-L11 PolarHBondContact O-N 3.32Å; L11-N15 WeakPolarHBondContact O-CB 3.36Å; L11-N15 PolarHBondContact O-N 2.8Å
12	E	52.7	Low	45.2	Very low	119 Å²	119	114.5 Å²	114.5	56%	0.556	58%	0.578	S	S	*	*	H	α-helix	trans	-71.4	-40.7	177.6	-168.7	161.1	-129.4	0	0	111.3	Q8 V10 N15 Q16	Q8-E12 VanDerWaalsContact O-CB 3.28Å; Q8-E12 WeakPolarHBondContact O-CB 3.47Å; Q8-E12 PolarHBondContact O-N 3.44Å; V10-E12 VanDerWaalsContact C-N 3.35Å; E12-N15 PolarHBondContact O-N 3.14Å; E12-Q16 WeakPolarHBondContact O-CG 3.25Å; E12-Q16 PolarHBondContact O-N 2.85Å
13	Q	46.3	Very low	45.4	Very low	106 Å²	106	110.4 Å²	110.4	50%	0.495	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-38.6	172.3	-168	174.3	35.3	0	0	112.3	H9 V10 Q16 Q17	H9-Q13 WeakPolarHBondContact O-CB 3.46Å; H9-Q13 PolarHBondContact O-N 3.08Å; V10-Q13 PolarHBondContact O-N 3.26Å; Q13-Q16 PolarHBondContact O-N 3.26Å; Q13-Q17 WeakPolarHBondContact O-CB 3.5Å; Q13-Q17 VanDerWaalsContact O-CG 3.29Å; Q13-Q17 WeakPolarHBondContact O-CG 3.34Å; Q13-Q17 PolarHBondContact O-N 3.3Å
14	L	43.9	Very low	45.8	Very low	74 Å²	74	108 Å²	108	39%	0.387	56%	0.558	S	S	.	*	H	α-helix	trans	-67.4	-38.5	172.3	-76.6	167.8	0	0	0	112.1	V10 Q17 R18 L23	V10-L14 HydrophobicContact CG1-CD1 3.96Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CB 3.44Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 2.93Å; L14-Q17 PolarHBondContact O-N 2.85Å; L14-R18 WeakPolarHBondContact O-CB 3.32Å; L14-R18 PolarHBondContact O-N 3.13Å; L14-L23 HydrophobicContact CD2-CD1 3.98Å
15	N	50.9	Low	45.9	Very low	80 Å²	80	106.3 Å²	106.3	43%	0.428	54%	0.544	S	S	.	.	H	α-helix	trans	-67.6	-38.6	174	-89.5	-31.6	0	0	0	112	L11 E12 R18 Q19	L11-N15 WeakPolarHBondContact O-CB 3.36Å; L11-N15 PolarHBondContact O-N 2.8Å; E12-N15 PolarHBondContact O-N 3.14Å; N15-R18 PolarHBondContact O-N 3.04Å; N15-Q19 WeakPolarHBondContact O-CB 3.47Å; N15-Q19 WeakPolarHBondContact O-CG 3.29Å; N15-Q19 PolarHBondContact O-N 3.27Å
16	Q	52.2	Low	46.1	Very low	114 Å²	114	100.9 Å²	100.9	53%	0.533	52%	0.523	S	S	.	.	H	α-helix	trans	-61.5	-46.7	169.9	-76.3	-174.7	-3	0	0	111.2	E12 Q13 R18 Q19 L20	E12-Q16 WeakPolarHBondContact O-CG 3.25Å; E12-Q16 PolarHBondContact O-N 2.85Å; Q13-Q16 PolarHBondContact O-N 3.26Å; Q16-R18 VanDerWaalsContact C-N 3.28Å; Q16-R18 PolarHBondContact O-N 3Å; Q16-Q19 PolarHBondContact O-N 3.32Å; Q16-L20 WeakPolarHBondContact O-CB 3.27Å; Q16-L20 VanDerWaalsContact O-CG 3.24Å; Q16-L20 WeakPolarHBondContact O-CG 3.33Å; Q16-L20 PolarHBondContact O-N 3.4Å
17	Q	49.3	Very low	46.1	Very low	69 Å²	69	98.1 Å²	98.1	32%	0.322	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-32.2	177	-72.7	173.5	8.4	0	0	112.9	Q13 L14 G21 L22 L23	Q13-Q17 WeakPolarHBondContact O-CB 3.5Å; Q13-Q17 VanDerWaalsContact O-CG 3.29Å; Q13-Q17 WeakPolarHBondContact O-CG 3.34Å; Q13-Q17 PolarHBondContact O-N 3.3Å; L14-Q17 PolarHBondContact O-N 2.85Å; Q17-G21 PolarHBondContact O-N 2.86Å; Q17-L22 PolarHBondContact O-N 3.49Å; Q17-L23 HydrophobicContact CB-CD1 3.86Å; Q17-L23 HydrophobicContact CB-CG 4.05Å
18	R	51.6	Low	46.3	Very low	162 Å²	162	98 Å²	98	61%	0.611	51%	0.509	S	S	*	.	H	α-helix	trans	-68.4	-45.2	171.1	174.6	177.9	-87.7	-179.4	-8.1	111.8	L14 N15 Q16 L20 G21 L23	L14-R18 WeakPolarHBondContact O-CB 3.32Å; L14-R18 PolarHBondContact O-N 3.13Å; N15-R18 PolarHBondContact O-N 3.04Å; Q16-R18 VanDerWaalsContact C-N 3.28Å; Q16-R18 PolarHBondContact O-N 3Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.29Å; R18-G21 PolarHBondContact O-N 3.3Å; R18-G21 VanDerWaalsContact O-N 3.1Å; R18-L23 HydrophobicContact CB-CD1 4.37Å
19	Q	46.9	Very low	46	Very low	166 Å²	166	95.1 Å²	95.1	78%	0.776	50%	0.501	S	S	*	.	H	α-helix	trans	-65.6	-32.7	176	-74.5	176.5	-7.2	0	0	112.6	N15 Q16 G21	N15-Q19 WeakPolarHBondContact O-CB 3.47Å; N15-Q19 WeakPolarHBondContact O-CG 3.29Å; N15-Q19 PolarHBondContact O-N 3.27Å; Q16-Q19 PolarHBondContact O-N 3.32Å; Q19-G21 PolarHBondContact O-N 3.45Å
20	L	49.7	Very low	45.8	Very low	126 Å²	126	90.5 Å²	90.5	66%	0.66	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	0.5	173.1	-66.7	170.5	0	0	0	113.6	Q16 R18 L22	Q16-L20 WeakPolarHBondContact O-CB 3.27Å; Q16-L20 VanDerWaalsContact O-CG 3.24Å; Q16-L20 WeakPolarHBondContact O-CG 3.33Å; Q16-L20 PolarHBondContact O-N 3.4Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.29Å; L20-L22 VanDerWaalsContact C-N 3.26Å; L20-L22 HydrophobicContact CB-CD1 4.05Å; L20-L22 HydrophobicContact CB-CG 4.15Å; L20-L22 HydrophobicContact CD1-CD1 4.43Å; L20-L22 PolarHBondContact O-N 2.95Å
21	G	43.7	Very low	45.4	Very low	57 Å²	57	92.6 Å²	92.6	59%	0.588	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	15.4	177.2	0	0	0	0	0	115.3	Q17 R18 Q19	Q17-G21 PolarHBondContact O-N 2.86Å; R18-G21 PolarHBondContact O-N 3.3Å; R18-G21 VanDerWaalsContact O-N 3.1Å; Q19-G21 PolarHBondContact O-N 3.45Å
22	L	44	Very low	44.9	Very low	124 Å²	124	90.4 Å²	90.4	65%	0.649	49%	0.493	S	S	*	.			trans	-85.8	-7.3	-173.5	-66.1	171.8	0	0	0	114.1	Q17 L20	Q17-L22 PolarHBondContact O-N 3.49Å; L20-L22 VanDerWaalsContact C-N 3.26Å; L20-L22 HydrophobicContact CB-CD1 4.05Å; L20-L22 HydrophobicContact CB-CG 4.15Å; L20-L22 HydrophobicContact CD1-CD1 4.43Å; L20-L22 PolarHBondContact O-N 2.95Å
23	L	41.6	Very low	44.3	Very low	57 Å²	57	88.6 Å²	88.6	30%	0.298	49%	0.49	S	S	.	.			trans	-108.5	108.3	179.5	-69	170.6	0	0	0	110.6	L14 Q17 R18	L14-L23 HydrophobicContact CD2-CD1 3.98Å; Q17-L23 HydrophobicContact CB-CD1 3.86Å; Q17-L23 HydrophobicContact CB-CG 4.05Å; R18-L23 HydrophobicContact CB-CD1 4.37Å
24	C	42.8	Very low	43.9	Very low	107 Å²	107	90.1 Å²	90.1	72%	0.723	50%	0.497	S	S	*	.			trans	-97.1	108.9	173.9	-54.2	0	0	0	0	110.4
25	D	43	Very low	44.1	Very low	58 Å²	58	88.9 Å²	88.9	31%	0.31	49%	0.489	S	S	.	.			trans	-66	138.3	169.2	-49.5	-47.7	0	0	0	110	K36	D25-K36 HydrophobicContact CB-CD 4.35Å; D25-K36 HydrophobicContact CB-CG 3.64Å; D25-K36 IonicContact OD2-NZ 3.79Å; D25-K36 PolarHBondContact OD2-NZ 3.43Å
26	C	43.6	Very low	43.8	Very low	51 Å²	51	90.7 Å²	90.7	35%	0.345	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	109.9	175.3	-60.9	0	0	0	0	109.6	A37 L42	C26-A37 WeakPolarHBondContact CB-O 3.48Å; C26-A37 PolarHBondContact N-O 3.16Å; C26-A37 PolarHBondContact O-N 3.08Å; C26-L42 HydrophobicContact CB-CD1 3.77Å
27	T	39.1	Very low	43.7	Very low	85 Å²	85	85.3 Å²	85.3	52%	0.521	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.4	167.1	2	0	0	0	0	110.5	F35 K36	T27-F35 CarbonylContact C-O 3.59Å; T27-F35 WeakPolarHBondContact CA-O 3.33Å; T27-K36 HydrophobicContact CG2-CB 3.92Å; T27-K36 HydrophobicContact CG2-CD 4.04Å; T27-K36 HydrophobicContact CG2-CG 3.99Å
28	F	46.8	Very low	44	Very low	51 Å²	51	85.7 Å²	85.7	22%	0.224	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	163.3	170.4	67.2	-71.6	0	0	0	109.1	V30 F35 A37 L42 F49	F28-V30 HydrophobicContact CD2-CG2 3.96Å; F28-V30 HydrophobicContact CE2-CG2 3.87Å; F28-F35 HydrophobicContact CD1-CB 4.01Å; F28-F35 WeakPolarHBondContact CD1-O 3.45Å; F28-F35 HydrophobicContact CE1-CB 3.43Å; F28-F35 VanDerWaalsContact CE1-CB 3.43Å; F28-F35 HydrophobicContact CE2-CB 4.04Å; F28-F35 HydrophobicContact CE2-CD2 4.42Å; F28-F35 HydrophobicContact CZ-CB 3.47Å; F28-F35 VanDerWaalsContact CZ-CB 3.47Å; F28-F35 HydrophobicContact CZ-CG 4.17Å; F28-F35 PolarHBondContact N-O 3.34Å; F28-F35 PolarHBondContact O-N 2.97Å; F28-A37 HydrophobicContact CE1-CB 4.06Å; F28-L42 HydrophobicContact CD1-CD1 4.42Å; F28-L42 HydrophobicContact CD1-CD2 4.18Å; F28-L42 HydrophobicContact CE1-CD1 4.49Å; F28-L42 HydrophobicContact CE1-CD2 3.58Å; F28-L42 HydrophobicContact CZ-CD2 3.84Å; F28-F49 HydrophobicContact CE2-CZ 4.38Å
29	V	38.6	Very low	43.6	Very low	79 Å²	79	85.4 Å²	85.4	48%	0.479	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.3	-174.8	-175.4	0	0	0	0	109.2	V33 H34	V29-V33 WeakPolarHBondContact CA-O 3.31Å; V29-H34 WeakPolarHBondContact CG2-ND1 3.48Å
30	V	41.4	Very low	43.6	Very low	32 Å²	32	80.4 Å²	80.4	19%	0.194	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.6	170.3	-173.8	0	0	0	0	106.2	F28 G32 V33 F35 L62	F28-V30 HydrophobicContact CD2-CG2 3.96Å; F28-V30 HydrophobicContact CE2-CG2 3.87Å; V30-G32 VanDerWaalsContact C-N 3.26Å; V30-G32 PolarHBondContact O-N 3.31Å; V30-G32 VanDerWaalsContact O-N 3.12Å; V30-V33 PolarHBondContact N-O 3.22Å; V30-V33 PolarHBondContact O-N 3.44Å; V30-F35 HydrophobicContact CB-CD2 4.32Å; V30-F35 HydrophobicContact CB-CE2 4.09Å; V30-F35 HydrophobicContact CG2-CD2 4.33Å; V30-L62 HydrophobicContact CG1-CD2 3.71Å
31	D	37.3	Very low	43.5	Very low	122 Å²	122	75.6 Å²	75.6	65%	0.652	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.8	48.5	-175.5	-64.6	-15.4	0	0	0	115.1	V33	D31-V33 PolarHBondContact O-N 2.93Å
32	G	37.3	Very low	44	Very low	59 Å²	59	75 Å²	75	61%	0.608	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-11.3	177.8	0	0	0	0	0	115.3	V30	V30-G32 VanDerWaalsContact C-N 3.26Å; V30-G32 PolarHBondContact O-N 3.31Å; V30-G32 VanDerWaalsContact O-N 3.12Å
33	V	39.4	Very low	44.2	Very low	81 Å²	81	72 Å²	72	49%	0.491	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.3	177.5	-175.3	0	0	0	0	110.2	V29 V30 D31 F35	V29-V33 WeakPolarHBondContact CA-O 3.31Å; V30-V33 PolarHBondContact N-O 3.22Å; V30-V33 PolarHBondContact O-N 3.44Å; D31-V33 PolarHBondContact O-N 2.93Å; V33-F35 HydrophobicContact CB-CD2 4.33Å; V33-F35 HydrophobicContact CB-CE2 3.65Å; V33-F35 HydrophobicContact CB-CZ 3.98Å; V33-F35 HydrophobicContact CG1-CD2 4.17Å; V33-F35 HydrophobicContact CG1-CE1 4.03Å; V33-F35 HydrophobicContact CG1-CE2 3.59Å; V33-F35 HydrophobicContact CG1-CZ 3.52Å; V33-F35 WeakPolarHBondContact O-CD2 3.36Å; V33-F35 PolarHBondContact O-N 2.91Å
34	H	39.3	Very low	44.6	Very low	138 Å²	138	72.7 Å²	72.7	64%	0.639	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	95.5	-179.7	-74.2	-94.6	0	0	0	111.6	V29	V29-H34 WeakPolarHBondContact CG2-ND1 3.48Å
35	F	47.1	Very low	44.9	Very low	48 Å²	48	68 Å²	68	21%	0.211	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.8	173.9	-64.1	-80.4	0	0	0	110.6	T27 F28 V30 V33	T27-F35 CarbonylContact C-O 3.59Å; T27-F35 WeakPolarHBondContact CA-O 3.33Å; F28-F35 HydrophobicContact CD1-CB 4.01Å; F28-F35 WeakPolarHBondContact CD1-O 3.45Å; F28-F35 HydrophobicContact CE1-CB 3.43Å; F28-F35 VanDerWaalsContact CE1-CB 3.43Å; F28-F35 HydrophobicContact CE2-CB 4.04Å; F28-F35 HydrophobicContact CE2-CD2 4.42Å; F28-F35 HydrophobicContact CZ-CB 3.47Å; F28-F35 VanDerWaalsContact CZ-CB 3.47Å; F28-F35 HydrophobicContact CZ-CG 4.17Å; F28-F35 PolarHBondContact N-O 3.34Å; F28-F35 PolarHBondContact O-N 2.97Å; V30-F35 HydrophobicContact CB-CD2 4.32Å; V30-F35 HydrophobicContact CB-CE2 4.09Å; V30-F35 HydrophobicContact CG2-CD2 4.33Å; V33-F35 HydrophobicContact CB-CD2 4.33Å; V33-F35 HydrophobicContact CB-CE2 3.65Å; V33-F35 HydrophobicContact CB-CZ 3.98Å; V33-F35 HydrophobicContact CG1-CD2 4.17Å; V33-F35 HydrophobicContact CG1-CE1 4.03Å; V33-F35 HydrophobicContact CG1-CE2 3.59Å; V33-F35 HydrophobicContact CG1-CZ 3.52Å; V33-F35 WeakPolarHBondContact O-CD2 3.36Å; V33-F35 PolarHBondContact O-N 2.91Å
36	K	44.7	Very low	45.4	Very low	118 Å²	118	67.5 Å²	67.5	51%	0.513	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	99.4	-176.6	-167.3	160.8	-169.9	-89.8	0	109.6	D25 T27	D25-K36 HydrophobicContact CB-CD 4.35Å; D25-K36 HydrophobicContact CB-CG 3.64Å; D25-K36 IonicContact OD2-NZ 3.79Å; D25-K36 PolarHBondContact OD2-NZ 3.43Å; T27-K36 HydrophobicContact CG2-CB 3.92Å; T27-K36 HydrophobicContact CG2-CD 4.04Å; T27-K36 HydrophobicContact CG2-CG 3.99Å
37	A	50.4	Low	45.7	Very low	2 Å²	2	71.1 Å²	71.1	2%	0.017	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.5	-169.1	0	0	0	0	0	113.1	C26 F28 L42 Y78	C26-A37 WeakPolarHBondContact CB-O 3.48Å; C26-A37 PolarHBondContact N-O 3.16Å; C26-A37 PolarHBondContact O-N 3.08Å; F28-A37 HydrophobicContact CE1-CB 4.06Å; A37-L42 HydrophobicContact CB-CD1 4.24Å; A37-L42 HydrophobicContact CB-CD2 4.02Å; A37-L42 HydrophobicContact CB-CG 3.93Å; A37-Y78 WeakPolarHBondContact CA-OH 3.47Å; A37-Y78 HydrophobicContact CB-CE2 4.26Å
38	H	55	Low	46.3	Very low	77 Å²	77	67.7 Å²	67.7	36%	0.356	39%	0.385	S	S	.	.			trans	-76.8	141.3	175.6	-176.9	-117.7	0	0	0	111	A40 V41 L42 Y78	H38-A40 PolarHBondContact O-N 3.25Å; H38-V41 HydrophobicContact CB-CG2 4.47Å; H38-V41 WeakPolarHBondContact O-CB 3.34Å; H38-V41 PolarHBondContact O-N 3.01Å; H38-L42 PolarHBondContact O-N 3.05Å; H38-L42 VanDerWaalsContact O-N 3.14Å; H38-Y78 PolarHBondContact N-OH 2.77Å
39	K	44.9	Very low	46.6	Very low	155 Å²	155	67 Å²	67	67%	0.674	38%	0.382	S	S	*	.	H	α-helix	trans	-54.1	-31.5	-175.5	-173.2	175.3	178.5	179.8	0	114.4	A43	K39-A43 WeakPolarHBondContact O-CB 3.31Å; K39-A43 PolarHBondContact O-N 3.06Å
40	A	44.9	Very low	47.1	Very low	61 Å²	61	69.6 Å²	69.6	50%	0.504	39%	0.387	S	S	.	.	H	α-helix	trans	-71.9	-35.4	176.4	0	0	0	0	0	113.2	H38 A43 A44	H38-A40 PolarHBondContact O-N 3.25Å; A40-A43 PolarHBondContact O-N 2.66Å; A40-A44 PolarHBondContact O-N 2.96Å; A40-A44 VanDerWaalsContact O-N 3.12Å
41	V	49.4	Very low	47.4	Very low	26 Å²	26	74.4 Å²	74.4	16%	0.158	41%	0.409	C	S	.	.	H	α-helix	trans	-68.6	-43.3	175	-178.8	0	0	0	0	109.5	H38 A43 A44 C45 L74 M77	H38-V41 HydrophobicContact CB-CG2 4.47Å; H38-V41 WeakPolarHBondContact O-CB 3.34Å; H38-V41 PolarHBondContact O-N 3.01Å; V41-A43 VanDerWaalsContact C-N 3.27Å; V41-A43 PolarHBondContact O-N 3.36Å; V41-A44 PolarHBondContact O-N 3.14Å; V41-A44 VanDerWaalsContact O-N 3.13Å; V41-C45 PolarHBondContact O-N 2.89Å; V41-C45 PolarHBondContact O-SG 3.07Å; V41-C45 VanDerWaalsContact O-SG 3.41Å; V41-L74 HydrophobicContact CG1-CD2 3.89Å; V41-M77 HydrophobicContact CG1-CE 3.99Å; V41-M77 HydrophobicContact CG1-SD 4.27Å; V41-M77 HydrophobicContact CG2-CE 4.16Å
42	L	52.6	Low	47.7	Very low	44 Å²	44	69.8 Å²	69.8	23%	0.23	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-32.8	174	-68.8	175.7	0	0	0	113.4	C26 F28 A37 H38 S46	C26-L42 HydrophobicContact CB-CD1 3.77Å; F28-L42 HydrophobicContact CD1-CD1 4.42Å; F28-L42 HydrophobicContact CD1-CD2 4.18Å; F28-L42 HydrophobicContact CE1-CD1 4.49Å; F28-L42 HydrophobicContact CE1-CD2 3.58Å; F28-L42 HydrophobicContact CZ-CD2 3.84Å; A37-L42 HydrophobicContact CB-CD1 4.24Å; A37-L42 HydrophobicContact CB-CD2 4.02Å; A37-L42 HydrophobicContact CB-CG 3.93Å; H38-L42 PolarHBondContact O-N 3.05Å; H38-L42 VanDerWaalsContact O-N 3.14Å; L42-S46 PolarHBondContact O-N 3.09Å
43	A	48.6	Very low	47.9	Very low	60 Å²	60	71.8 Å²	71.8	50%	0.496	38%	0.376	S	S	.	.	H	α-helix	trans	-68.2	-42.3	172.8	0	0	0	0	0	111.9	K39 A40 V41 S46	K39-A43 WeakPolarHBondContact O-CB 3.31Å; K39-A43 PolarHBondContact O-N 3.06Å; A40-A43 PolarHBondContact O-N 2.66Å; V41-A43 VanDerWaalsContact C-N 3.27Å; V41-A43 PolarHBondContact O-N 3.36Å; A43-S46 VanDerWaalsContact O-CB 3.3Å; A43-S46 WeakPolarHBondContact O-CB 3.34Å; A43-S46 PolarHBondContact O-N 2.99Å; A43-S46 PolarHBondContact O-OG 3.35Å
44	A	49.7	Very low	48	Very low	73 Å²	73	73.5 Å²	73.5	60%	0.603	39%	0.386	S	S	*	.	H	α-helix	trans	-65	-45.8	176	0	0	0	0	0	112.2	A40 V41 S46	A40-A44 PolarHBondContact O-N 2.96Å; A40-A44 VanDerWaalsContact O-N 3.12Å; V41-A44 PolarHBondContact O-N 3.14Å; V41-A44 VanDerWaalsContact O-N 3.13Å; A44-S46 PolarHBondContact O-N 2.91Å; A44-S46 VanDerWaalsContact O-N 3.17Å
45	C	50.7	Low	48.2	Very low	7 Å²	7	75 Å²	75	5%	0.047	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.1	175.9	-60.1	0	0	0	0	113.7	V41 E47 Y48 F49	V41-C45 PolarHBondContact O-N 2.89Å; V41-C45 PolarHBondContact O-SG 3.07Å; V41-C45 VanDerWaalsContact O-SG 3.41Å; C45-E47 VanDerWaalsContact C-N 3.26Å; C45-E47 PolarHBondContact O-N 3.28Å; C45-Y48 WeakPolarHBondContact O-CB 3.16Å; C45-Y48 PolarHBondContact O-N 3.35Å; C45-F49 HydrophobicContact CB-CD2 4.12Å; C45-F49 HydrophobicContact CB-CE2 3.81Å; C45-F49 WeakPolarHBondContact O-CD2 3.38Å; C45-F49 PolarHBondContact O-N 3.49Å
46	S	52.1	Low	47.8	Very low	49 Å²	49	80 Å²	80	34%	0.343	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-25	-174.5	72.7	0	0	0	0	114	L42 A43 A44 K50	L42-S46 PolarHBondContact O-N 3.09Å; A43-S46 VanDerWaalsContact O-CB 3.3Å; A43-S46 WeakPolarHBondContact O-CB 3.34Å; A43-S46 PolarHBondContact O-N 2.99Å; A43-S46 PolarHBondContact O-OG 3.35Å; A44-S46 PolarHBondContact O-N 2.91Å; A44-S46 VanDerWaalsContact O-N 3.17Å; S46-K50 WeakPolarHBondContact O-CG 3.37Å; S46-K50 PolarHBondContact O-N 3.38Å; S46-K50 VanDerWaalsContact O-N 3.13Å
47	E	50.4	Low	47.7	Very low	127 Å²	127	83.5 Å²	83.5	59%	0.593	44%	0.438	S	S	*	.	H	α-helix	trans	-79.4	-30.6	172.3	-60.1	-157.5	130.4	0	0	112.7	C45 K50 M51	C45-E47 VanDerWaalsContact C-N 3.26Å; C45-E47 PolarHBondContact O-N 3.28Å; E47-K50 PolarHBondContact O-N 3.45Å; E47-M51 WeakPolarHBondContact O-CG 3.45Å; E47-M51 PolarHBondContact O-N 3.17Å; E47-M51 VanDerWaalsContact O-N 3.07Å
48	Y	52.3	Low	47	Very low	12 Å²	12	91.1 Å²	91.1	5%	0.047	48%	0.479	C	S	.	.	H	α-helix	trans	-65.3	-44.3	171	-175.3	-124.5	0	0	0	111.1	C45 K50 M51 L52 N66 L70 V95 F98	C45-Y48 WeakPolarHBondContact O-CB 3.16Å; C45-Y48 PolarHBondContact O-N 3.35Å; Y48-K50 PolarHBondContact O-N 2.94Å; Y48-M51 PolarHBondContact O-N 3.37Å; Y48-M51 VanDerWaalsContact O-N 3.14Å; Y48-L52 HydrophobicContact CD1-CD1 3.95Å; Y48-L52 HydrophobicContact CE1-CD1 3.57Å; Y48-L52 HydrophobicContact CE1-CG 4.31Å; Y48-L52 HydrophobicContact CE2-CD1 4.44Å; Y48-L52 HydrophobicContact CE2-CG 4.33Å; Y48-L52 PolarHBondContact O-N 3.04Å; Y48-N66 WeakPolarHBondContact OH-CB 3.35Å; Y48-L70 HydrophobicContact CD1-CD1 4.12Å; Y48-L70 HydrophobicContact CD1-CD2 4.31Å; Y48-L70 HydrophobicContact CE1-CB 4.49Å; Y48-L70 HydrophobicContact CE1-CD1 4.1Å; Y48-L70 HydrophobicContact CE1-CD2 4.16Å; Y48-L70 HydrophobicContact CE1-CG 4.48Å; Y48-V95 HydrophobicContact CE1-CG1 4.34Å; Y48-V95 HydrophobicContact CE1-CG2 4.16Å; Y48-V95 WeakPolarHBondContact OH-CG2 3.28Å; Y48-F98 HydrophobicContact CD2-CB 4.01Å; Y48-F98 AromaticContact CD2-CD1 3.38Å; Y48-F98 HydrophobicContact CD2-CD1 3.38Å; Y48-F98 AromaticContact CD2-CD2 3.85Å; Y48-F98 HydrophobicContact CD2-CD2 3.85Å; Y48-F98 AromaticContact CD2-CE1 3.78Å; Y48-F98 HydrophobicContact CD2-CE1 3.78Å; Y48-F98 HydrophobicContact CD2-CE2 4.18Å; Y48-F98 AromaticContact CD2-CG 3.44Å; Y48-F98 HydrophobicContact CD2-CG 3.44Å; Y48-F98 VanDerWaalsContact CD2-CG 3.44Å; Y48-F98 HydrophobicContact CD2-CZ 4.16Å; Y48-F98 HydrophobicContact CE2-CB 4.16Å; Y48-F98 HydrophobicContact CE2-CD1 4.34Å; Y48-F98 HydrophobicContact CE2-CD2 4.28Å; Y48-F98 AromaticContact CE2-CG 3.99Å; Y48-F98 HydrophobicContact CE2-CG 3.99Å; Y48-F98 AromaticContact CG-CD1 3.91Å; Y48-F98 HydrophobicContact CG-CD1 3.91Å; Y48-F98 HydrophobicContact CG-CE1 4.17Å; Y48-F98 HydrophobicContact CG-CG 4.39Å
49	F	51.6	Low	45.8	Very low	38 Å²	38	92.3 Å²	92.3	17%	0.167	49%	0.491	C	S	.	.	H	α-helix	trans	-61.4	-41.6	173.3	-69.8	-61.6	0	0	0	112.5	F28 C45 M51 L52 F53 L70	F28-F49 HydrophobicContact CE2-CZ 4.38Å; C45-F49 HydrophobicContact CB-CD2 4.12Å; C45-F49 HydrophobicContact CB-CE2 3.81Å; C45-F49 WeakPolarHBondContact O-CD2 3.38Å; C45-F49 PolarHBondContact O-N 3.49Å; F49-M51 VanDerWaalsContact C-N 3.26Å; F49-M51 PolarHBondContact O-N 2.81Å; F49-L52 HydrophobicContact CD1-CD1 4.34Å; F49-L52 PolarHBondContact O-N 2.84Å; F49-F53 HydrophobicContact CB-CE2 4.28Å; F49-F53 WeakPolarHBondContact O-CD2 3.47Å; F49-F53 WeakPolarHBondContact O-CE2 3.28Å; F49-F53 WeakPolarHBondContact O-CG 3.41Å; F49-F53 PolarHBondContact O-N 3.35Å; F49-L70 HydrophobicContact CE1-CD2 3.78Å; F49-L70 HydrophobicContact CZ-CD2 3.72Å
50	K	50.4	Low	45.3	Very low	133 Å²	133	89.8 Å²	89.8	58%	0.578	49%	0.488	S	S	*	.	H	α-helix	trans	-57.7	-36.9	173	-75.6	172.4	-170	167.9	0	113	S46 E47 Y48 F53	S46-K50 WeakPolarHBondContact O-CG 3.37Å; S46-K50 PolarHBondContact O-N 3.38Å; S46-K50 VanDerWaalsContact O-N 3.13Å; E47-K50 PolarHBondContact O-N 3.45Å; Y48-K50 PolarHBondContact O-N 2.94Å; K50-F53 PolarHBondContact O-N 2.93Å
51	M	47	Very low	44.8	Very low	133 Å²	133	94.4 Å²	94.4	66%	0.655	50%	0.499	S	S	*	.	H	α-helix	trans	-81.2	-22.4	179.5	-72.1	-62.7	-59.1	0	0	113.7	E47 Y48 F49 F53 F98	E47-M51 WeakPolarHBondContact O-CG 3.45Å; E47-M51 PolarHBondContact O-N 3.17Å; E47-M51 VanDerWaalsContact O-N 3.07Å; Y48-M51 PolarHBondContact O-N 3.37Å; Y48-M51 VanDerWaalsContact O-N 3.14Å; F49-M51 VanDerWaalsContact C-N 3.26Å; F49-M51 PolarHBondContact O-N 2.81Å; M51-F53 VanDerWaalsContact C-N 3.27Å; M51-F98 HydrophobicContact CB-CE2 3.84Å; M51-F98 HydrophobicContact CB-CZ 3.95Å; M51-F98 HydrophobicContact CG-CE2 3.78Å; M51-F98 HydrophobicContact CG-CZ 3.7Å
52	L	44.4	Very low	44.3	Very low	25 Å²	25	95.6 Å²	95.6	13%	0.131	50%	0.504	C	S	.	.	H	α-helix	trans	-73.4	-17.9	167.6	-77.4	169.3	0	0	0	112.9	Y48 F49 V54 N66	Y48-L52 HydrophobicContact CD1-CD1 3.95Å; Y48-L52 HydrophobicContact CE1-CD1 3.57Å; Y48-L52 HydrophobicContact CE1-CG 4.31Å; Y48-L52 HydrophobicContact CE2-CD1 4.44Å; Y48-L52 HydrophobicContact CE2-CG 4.33Å; Y48-L52 PolarHBondContact O-N 3.04Å; F49-L52 HydrophobicContact CD1-CD1 4.34Å; F49-L52 PolarHBondContact O-N 2.84Å; L52-V54 PolarHBondContact O-N 3.46Å; L52-N66 HydrophobicContact CD2-CB 4.09Å
53	F	41.1	Very low	43.9	Very low	100 Å²	100	97.7 Å²	97.7	44%	0.439	52%	0.516	S	S	.	.	S	Bend	trans	-90.1	96.7	172.3	-62	-51.1	0	0	0	110.5	F49 K50 M51 D55 V60 L62	F49-F53 HydrophobicContact CB-CE2 4.28Å; F49-F53 WeakPolarHBondContact O-CD2 3.47Å; F49-F53 WeakPolarHBondContact O-CE2 3.28Å; F49-F53 WeakPolarHBondContact O-CG 3.41Å; F49-F53 PolarHBondContact O-N 3.35Å; K50-F53 PolarHBondContact O-N 2.93Å; M51-F53 VanDerWaalsContact C-N 3.27Å; F53-D55 PolarHBondContact O-N 3.44Å; F53-V60 HydrophobicContact CD1-CG1 3.54Å; F53-V60 HydrophobicContact CE1-CG1 3.82Å; F53-L62 HydrophobicContact CD1-CD1 3.99Å; F53-L62 HydrophobicContact CE1-CD1 3.43Å; F53-L62 VanDerWaalsContact CE1-CD1 3.43Å; F53-L62 HydrophobicContact CZ-CD1 4.15Å
54	V	40.5	Very low	43.8	Very low	118 Å²	118	100.5 Å²	100.5	72%	0.715	52%	0.522	S	S	*	.			trans	-64.8	127.6	170.4	179.5	0	0	0	0	109.4	L52 Q56	L52-V54 PolarHBondContact O-N 3.46Å; V54-Q56 VanDerWaalsContact C-N 3.29Å; V54-Q56 PolarHBondContact O-N 3.23Å
55	D	44.8	Very low	43.8	Very low	168 Å²	168	100.3 Å²	100.3	90%	0.898	52%	0.515	S	S	*	.			trans	-76.2	74.3	-172.5	-141.7	-4.2	0	0	0	111.5	F53	F53-D55 PolarHBondContact O-N 3.44Å
56	Q	38.1	Very low	43.9	Very low	154 Å²	154	101.8 Å²	101.8	72%	0.72	52%	0.523	S	S	*	.			trans	-123	142.1	164.8	-68.6	-159.1	6	0	0	111	V54	V54-Q56 VanDerWaalsContact C-N 3.29Å; V54-Q56 PolarHBondContact O-N 3.23Å
57	K	42.1	Very low	44.2	Very low	192 Å²	192	100.9 Å²	100.9	84%	0.835	52%	0.518	S	S	*	.	S	Bend	trans	-75.5	142.4	-174.1	-65.3	176.3	-178.2	173.8	0	110.7	V59	K57-V59 PolarHBondContact O-N 3.45Å
58	D	35.9	Very low	44.7	Very low	161 Å²	161	97.9 Å²	97.9	86%	0.861	52%	0.515	S	S	*	.	S	Bend	trans	76.9	-8.3	163.1	-48.2	-36.7	0	0	0	118.9
59	V	31.1	Very low	45.3	Very low	102 Å²	102	97.3 Å²	97.3	62%	0.618	51%	0.514	S	S	*	.			trans	-140.5	128.5	161.1	-173.1	0	0	0	0	111.4	K57	K57-V59 PolarHBondContact O-N 3.45Å
60	V	33.3	Very low	46.1	Very low	102 Å²	102	96.2 Å²	96.2	62%	0.618	51%	0.509	S	S	*	.			trans	-110.5	117.9	174.5	178.4	0	0	0	0	109.6	F53	F53-V60 HydrophobicContact CD1-CG1 3.54Å; F53-V60 HydrophobicContact CE1-CG1 3.82Å
61	H	34.1	Very low	46.8	Very low	159 Å²	159	90.7 Å²	90.7	74%	0.736	49%	0.49	S	S	*	.			trans	-106.9	135.1	164.8	-80.4	-82.1	0	0	0	109.6
62	L	38.6	Very low	47.7	Very low	50 Å²	50	86 Å²	86	26%	0.262	47%	0.467	S	S	.	.			trans	-86.9	137.2	166.2	-135.9	74.1	0	0	0	108.3	V30 F53 I64	V30-L62 HydrophobicContact CG1-CD2 3.71Å; F53-L62 HydrophobicContact CD1-CD1 3.99Å; F53-L62 HydrophobicContact CE1-CD1 3.43Å; F53-L62 VanDerWaalsContact CE1-CD1 3.43Å; F53-L62 HydrophobicContact CZ-CD1 4.15Å; L62-I64 PolarHBondContact O-N 2.96Å
63	D	44.5	Very low	48.6	Very low	89 Å²	89	84.9 Å²	84.9	48%	0.476	46%	0.461	S	S	.	.			trans	-75.5	108.9	171.9	-165.9	-32.5	0	0	0	109.4	S65 N66	D63-S65 PolarHBondContact O-N 3.3Å; D63-S65 VanDerWaalsContact OD1-CB 3.26Å; D63-S65 WeakPolarHBondContact OD1-CB 3.47Å; D63-S65 PolarHBondContact OD1-N 3Å; D63-S65 VanDerWaalsContact OD1-N 3.12Å; D63-S65 PolarHBondContact OD1-OG 2.65Å; D63-N66 PolarHBondContact O-N 3.09Å
64	I	46.7	Very low	49.6	Very low	119 Å²	119	80.8 Å²	80.8	61%	0.61	44%	0.443	S	S	*	.	H	α-helix	trans	-61	-29.6	-173.7	-57.6	174.7	0	0	0	111	L62 N66 A67	L62-I64 PolarHBondContact O-N 2.96Å; I64-N66 PolarHBondContact O-N 2.67Å; I64-A67 WeakPolarHBondContact O-CB 3.38Å; I64-A67 PolarHBondContact O-N 3.01Å; I64-A67 VanDerWaalsContact O-N 3.15Å
65	S	50.4	Low	50.6	Low	68 Å²	68	80.4 Å²	80.4	48%	0.476	43%	0.434	S	S	.	.	H	α-helix	trans	-55.3	-51.1	-177.9	-36.4	0	0	0	0	111.5	D63 A67	D63-S65 PolarHBondContact O-N 3.3Å; D63-S65 VanDerWaalsContact OD1-CB 3.26Å; D63-S65 WeakPolarHBondContact OD1-CB 3.47Å; D63-S65 PolarHBondContact OD1-N 3Å; D63-S65 VanDerWaalsContact OD1-N 3.12Å; D63-S65 PolarHBondContact OD1-OG 2.65Å; S65-A67 VanDerWaalsContact C-N 3.28Å; S65-A67 PolarHBondContact O-N 3.5Å
66	N	53.1	Low	51.5	Low	38 Å²	38	75.6 Å²	75.6	20%	0.203	41%	0.405	C	S	.	.	H	α-helix	trans	-70.8	-18.9	-178	-82.1	-46.1	0	0	0	114	Y48 L52 D63 I64 A68 G69 L70	Y48-N66 WeakPolarHBondContact OH-CB 3.35Å; L52-N66 HydrophobicContact CD2-CB 4.09Å; D63-N66 PolarHBondContact O-N 3.09Å; I64-N66 PolarHBondContact O-N 2.67Å; N66-A68 VanDerWaalsContact C-N 3.3Å; N66-A68 PolarHBondContact O-N 3.24Å; N66-G69 PolarHBondContact O-N 3.16Å; N66-L70 PolarHBondContact O-N 3.35Å
67	A	58.4	Low	52.3	Low	30 Å²	30	72.3 Å²	72.3	25%	0.248	39%	0.391	C	S	.	.	H	α-helix	trans	-66.7	-32.9	-178.6	0	0	0	0	0	112.2	I64 S65 G71	I64-A67 WeakPolarHBondContact O-CB 3.38Å; I64-A67 PolarHBondContact O-N 3.01Å; I64-A67 VanDerWaalsContact O-N 3.15Å; S65-A67 VanDerWaalsContact C-N 3.28Å; S65-A67 PolarHBondContact O-N 3.5Å; A67-G71 PolarHBondContact O-N 3.22Å
68	A	61.3	Low	52.7	Low	64 Å²	64	68.3 Å²	68.3	53%	0.529	37%	0.371	S	S	.	.	H	α-helix	trans	-67.1	-47.2	176.3	0	0	0	0	0	111.9	N66 L70 G71 Q72	N66-A68 VanDerWaalsContact C-N 3.3Å; N66-A68 PolarHBondContact O-N 3.24Å; A68-L70 VanDerWaalsContact C-N 3.33Å; A68-L70 PolarHBondContact O-N 3.34Å; A68-G71 PolarHBondContact O-N 2.64Å; A68-Q72 PolarHBondContact O-N 2.96Å; A68-Q72 VanDerWaalsContact O-N 3.12Å
69	G	64.6	Low	53.6	Low	1 Å²	1	63.9 Å²	63.9	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-40.9	175	0	0	0	0	0	112.6	N66 G71 Q72 V73	N66-G69 PolarHBondContact O-N 3.16Å; G69-G71 PolarHBondContact O-N 2.73Å; G69-Q72 PolarHBondContact O-N 3.22Å; G69-V73 WeakPolarHBondContact O-CG2 3.24Å; G69-V73 PolarHBondContact O-N 3.42Å
70	L	67.6	Low	54.7	Low	14 Å²	14	63 Å²	63	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-38	176.3	-175.5	64.3	0	0	0	112.2	Y48 F49 N66 A68 V73 L74 V95	Y48-L70 HydrophobicContact CD1-CD1 4.12Å; Y48-L70 HydrophobicContact CD1-CD2 4.31Å; Y48-L70 HydrophobicContact CE1-CB 4.49Å; Y48-L70 HydrophobicContact CE1-CD1 4.1Å; Y48-L70 HydrophobicContact CE1-CD2 4.16Å; Y48-L70 HydrophobicContact CE1-CG 4.48Å; F49-L70 HydrophobicContact CE1-CD2 3.78Å; F49-L70 HydrophobicContact CZ-CD2 3.72Å; N66-L70 PolarHBondContact O-N 3.35Å; A68-L70 VanDerWaalsContact C-N 3.33Å; A68-L70 PolarHBondContact O-N 3.34Å; L70-V73 PolarHBondContact O-N 2.81Å; L70-L74 HydrophobicContact CD1-CD1 4.37Å; L70-L74 HydrophobicContact CD1-CG 4.39Å; L70-L74 HydrophobicContact CG-CD1 4.06Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.34Å; L70-L74 PolarHBondContact O-N 3.13Å; L70-V95 HydrophobicContact CB-CG1 4.43Å; L70-V95 HydrophobicContact CB-CG2 4.33Å; L70-V95 HydrophobicContact CD1-CG1 3.85Å
71	G	64.7	Low	55.6	Low	17 Å²	17	65.9 Å²	65.9	18%	0.175	36%	0.357	C	S	.	.	H	α-helix	trans	-58.9	-48.8	173.2	0	0	0	0	0	112.6	A67 A68 G69 L74 E75	A67-G71 PolarHBondContact O-N 3.22Å; A68-G71 PolarHBondContact O-N 2.64Å; G69-G71 PolarHBondContact O-N 2.73Å; G71-L74 PolarHBondContact O-N 3.08Å; G71-E75 WeakPolarHBondContact O-CB 3.29Å; G71-E75 PolarHBondContact O-N 2.79Å
72	Q	65.8	Low	57.3	Low	36 Å²	36	60.5 Å²	60.5	17%	0.168	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-45.7	176.4	-79.7	-86.4	-11.9	0	0	112.7	A68 G69 E75 F76 L82 S83 N88 V92	A68-Q72 PolarHBondContact O-N 2.96Å; A68-Q72 VanDerWaalsContact O-N 3.12Å; G69-Q72 PolarHBondContact O-N 3.22Å; Q72-E75 PolarHBondContact O-N 3.31Å; Q72-F76 PolarHBondContact O-N 3.12Å; Q72-L82 HydrophobicContact CB-CD1 4.12Å; Q72-L82 WeakPolarHBondContact O-CD1 3.2Å; Q72-S83 PolarHBondContact NE2-OG 2.87Å; Q72-S83 PolarHBondContact OE1-OG 3.38Å; Q72-N88 PolarHBondContact NE2-ND2 2.86Å; Q72-V92 HydrophobicContact CB-CG2 3.62Å; Q72-V92 HydrophobicContact CG-CG2 4.06Å
73	V	64.7	Low	58.6	Low	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.6	-41.7	178.1	173.6	0	0	0	0	111.3	G69 L70 F76 M77 V92 V95 L99 M101 I104	G69-V73 WeakPolarHBondContact O-CG2 3.24Å; G69-V73 PolarHBondContact O-N 3.42Å; L70-V73 PolarHBondContact O-N 2.81Å; V73-F76 PolarHBondContact O-N 2.79Å; V73-M77 WeakPolarHBondContact O-CG 3.13Å; V73-M77 PolarHBondContact O-N 3.31Å; V73-V92 HydrophobicContact CG2-CG1 3.97Å; V73-V95 HydrophobicContact CB-CG1 4.26Å; V73-V95 HydrophobicContact CG2-CB 4.34Å; V73-V95 HydrophobicContact CG2-CG1 3.96Å; V73-L99 HydrophobicContact CG1-CD1 4.3Å; V73-M101 HydrophobicContact CG1-SD 3.69Å; V73-I104 HydrophobicContact CG1-CD1 4.28Å
74	L	61.5	Low	59.8	Low	15 Å²	15	59.1 Å²	59.1	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-41.3	175.8	-71.6	171.8	0	0	0	112.1	V41 L70 G71 F76 M77 Y78	V41-L74 HydrophobicContact CG1-CD2 3.89Å; L70-L74 HydrophobicContact CD1-CD1 4.37Å; L70-L74 HydrophobicContact CD1-CG 4.39Å; L70-L74 HydrophobicContact CG-CD1 4.06Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.34Å; L70-L74 PolarHBondContact O-N 3.13Å; G71-L74 PolarHBondContact O-N 3.08Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.28Å; L74-M77 PolarHBondContact O-N 3.23Å; L74-M77 VanDerWaalsContact O-N 3.17Å; L74-Y78 WeakPolarHBondContact O-CD2 3.36Å; L74-Y78 PolarHBondContact O-N 3.49Å; L74-Y78 VanDerWaalsContact O-N 3.09Å
75	E	60.6	Low	61.1	Low	110 Å²	110	55.3 Å²	55.3	51%	0.514	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-42	175.1	-175.4	170.1	-162.6	0	0	111.3	G71 Q72 M77 Y78 T79	G71-E75 WeakPolarHBondContact O-CB 3.29Å; G71-E75 PolarHBondContact O-N 2.79Å; Q72-E75 PolarHBondContact O-N 3.31Å; E75-M77 PolarHBondContact O-N 2.87Å; E75-Y78 PolarHBondContact O-N 2.81Å; E75-T79 HydrophobicContact CG-CG2 3.97Å; E75-T79 WeakPolarHBondContact O-CB 3.15Å; E75-T79 WeakPolarHBondContact O-CG2 3.21Å; E75-T79 PolarHBondContact O-N 3.19Å; E75-T79 PolarHBondContact O-OG1 3.49Å
76	F	64	Low	62	Low	66 Å²	66	57.3 Å²	57.3	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-43.1	172.2	171.4	-106.5	0	0	0	112.5	Q72 V73 L74 Y78 T79 A80 K81 L82 I104	Q72-F76 PolarHBondContact O-N 3.12Å; V73-F76 PolarHBondContact O-N 2.79Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.28Å; F76-Y78 PolarHBondContact O-N 2.8Å; F76-T79 PolarHBondContact O-N 2.95Å; F76-A80 VanDerWaalsContact O-CA 3.23Å; F76-A80 WeakPolarHBondContact O-CA 3.4Å; F76-A80 PolarHBondContact O-N 2.91Å; F76-K81 VanDerWaalsContact CA-O 3.27Å; F76-K81 WeakPolarHBondContact CA-O 3.27Å; F76-L82 HydrophobicContact CB-CB 3.97Å; F76-L82 HydrophobicContact CB-CD1 3.87Å; F76-L82 HydrophobicContact CB-CG 4.43Å; F76-L82 HydrophobicContact CD2-CB 3.73Å; F76-L82 HydrophobicContact CG-CB 4Å; F76-I104 HydrophobicContact CD1-CD1 3.55Å; F76-I104 HydrophobicContact CD1-CG1 4.15Å; F76-I104 HydrophobicContact CE1-CD1 3.7Å; F76-I104 HydrophobicContact CE1-CG1 3.88Å
77	M	56.4	Low	62.6	Low	86 Å²	86	64 Å²	64	42%	0.424	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-28.3	176.6	-71.8	-176.6	74.4	0	0	113.6	V41 V73 L74 E75 M101	V41-M77 HydrophobicContact CG1-CE 3.99Å; V41-M77 HydrophobicContact CG1-SD 4.27Å; V41-M77 HydrophobicContact CG2-CE 4.16Å; V73-M77 WeakPolarHBondContact O-CG 3.13Å; V73-M77 PolarHBondContact O-N 3.31Å; L74-M77 PolarHBondContact O-N 3.23Å; L74-M77 VanDerWaalsContact O-N 3.17Å; E75-M77 PolarHBondContact O-N 2.87Å; M77-M101 HydrophobicContact CG-CE 4.11Å; M77-M101 HydrophobicContact SD-CE 4.22Å; M77-M101 HydrophobicContact SD-SD 4.49Å
78	Y	50.6	Low	63.3	Low	108 Å²	108	63.8 Å²	63.8	42%	0.424	35%	0.352	S	S	.	.	H	α-helix	trans	-95.6	-23.8	178.9	-71.8	-62	0	0	0	115	A37 H38 L74 E75 F76	A37-Y78 WeakPolarHBondContact CA-OH 3.47Å; A37-Y78 HydrophobicContact CB-CE2 4.26Å; H38-Y78 PolarHBondContact N-OH 2.77Å; L74-Y78 WeakPolarHBondContact O-CD2 3.36Å; L74-Y78 PolarHBondContact O-N 3.49Å; L74-Y78 VanDerWaalsContact O-N 3.09Å; E75-Y78 PolarHBondContact O-N 2.81Å; F76-Y78 PolarHBondContact O-N 2.8Å
79	T	54.8	Low	64.2	Low	68 Å²	68	60.9 Å²	60.9	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-118.2	-10.8	-173.2	69.9	0	0	0	0	114.6	E75 F76 K81	E75-T79 HydrophobicContact CG-CG2 3.97Å; E75-T79 WeakPolarHBondContact O-CB 3.15Å; E75-T79 WeakPolarHBondContact O-CG2 3.21Å; E75-T79 PolarHBondContact O-N 3.19Å; E75-T79 PolarHBondContact O-OG1 3.49Å; F76-T79 PolarHBondContact O-N 2.95Å; T79-K81 PolarHBondContact O-N 3.06Å; T79-K81 PolarHBondContact OG1-N 3.28Å; T79-K81 PolarHBondContact OG1-O 2.79Å
80	A	52.8	Low	64.7	Low	83 Å²	83	65.3 Å²	65.3	69%	0.686	35%	0.351	S	S	*	.	S	Bend	trans	56.3	21.3	-168.2	0	0	0	0	0	114.8	F76	F76-A80 VanDerWaalsContact O-CA 3.23Å; F76-A80 WeakPolarHBondContact O-CA 3.4Å; F76-A80 PolarHBondContact O-N 2.91Å
81	K	51.7	Low	65	Low	162 Å²	162	66.9 Å²	66.9	70%	0.704	36%	0.36	S	S	*	.			trans	-122.3	131.3	175.3	-62.8	-179.7	-177.9	179	0	110.3	F76 T79	F76-K81 VanDerWaalsContact CA-O 3.27Å; F76-K81 WeakPolarHBondContact CA-O 3.27Å; T79-K81 PolarHBondContact O-N 3.06Å; T79-K81 PolarHBondContact OG1-N 3.28Å; T79-K81 PolarHBondContact OG1-O 2.79Å
82	L	70	Confident	65.5	Low	46 Å²	46	66 Å²	66	24%	0.241	35%	0.351	C	S	.	.			trans	-123.5	132	176.8	-173.4	64.7	0	0	0	108.3	Q72 F76 L84 V92 I104	Q72-L82 HydrophobicContact CB-CD1 4.12Å; Q72-L82 WeakPolarHBondContact O-CD1 3.2Å; F76-L82 HydrophobicContact CB-CB 3.97Å; F76-L82 HydrophobicContact CB-CD1 3.87Å; F76-L82 HydrophobicContact CB-CG 4.43Å; F76-L82 HydrophobicContact CD2-CB 3.73Å; F76-L82 HydrophobicContact CG-CB 4Å; L82-L84 HydrophobicContact CD1-CD2 4.45Å; L82-L84 HydrophobicContact CD2-CD1 4.2Å; L82-L84 HydrophobicContact CD2-CD2 3.71Å; L82-L84 HydrophobicContact CD2-CG 3.88Å; L82-L84 HydrophobicContact CG-CD2 3.85Å; L82-L84 HydrophobicContact CG-CG 3.97Å; L82-V92 HydrophobicContact CD1-CG1 4.33Å; L82-V92 HydrophobicContact CD2-CG1 4.36Å; L82-I104 HydrophobicContact CD2-CG1 4.49Å; L82-I104 HydrophobicContact CD2-CG2 3.75Å
83	S	66.6	Low	66.2	Low	70 Å²	70	65.1 Å²	65.1	49%	0.49	35%	0.347	S	S	.	.			trans	-110.1	72.2	-175.1	53.9	0	0	0	0	110.9	Q72 S85 N88	Q72-S83 PolarHBondContact NE2-OG 2.87Å; Q72-S83 PolarHBondContact OE1-OG 3.38Å; S83-S85 PolarHBondContact O-N 2.57Å; S83-N88 PolarHBondContact O-ND2 3.35Å
84	L	70.4	Confident	66.5	Low	41 Å²	41	67.4 Å²	67.4	22%	0.215	37%	0.366	C	S	.	.			trans	-68.5	124.4	178.7	-63.5	-177.2	0	0	0	111.3	L82 N88 V89 V92 A107 L111	L82-L84 HydrophobicContact CD1-CD2 4.45Å; L82-L84 HydrophobicContact CD2-CD1 4.2Å; L82-L84 HydrophobicContact CD2-CD2 3.71Å; L82-L84 HydrophobicContact CD2-CG 3.88Å; L82-L84 HydrophobicContact CG-CD2 3.85Å; L82-L84 HydrophobicContact CG-CG 3.97Å; L84-N88 WeakPolarHBondContact CA-OD1 3.34Å; L84-V89 HydrophobicContact CB-CG2 3.72Å; L84-V89 HydrophobicContact CD1-CG2 4.49Å; L84-V89 HydrophobicContact CD2-CG2 4.01Å; L84-V89 HydrophobicContact CG-CG2 4.28Å; L84-V92 HydrophobicContact CD2-CB 4.15Å; L84-V92 HydrophobicContact CD2-CG1 3.72Å; L84-V92 HydrophobicContact CD2-CG2 4.45Å; L84-A107 HydrophobicContact CD1-CB 4.25Å; L84-L111 HydrophobicContact CB-CD2 4.03Å
85	S	72.8	Confident	66.8	Low	38 Å²	38	66.7 Å²	66.7	27%	0.266	36%	0.363	S	S	.	.			trans	-126.2	157.8	172	76.2	0	0	0	0	110	S83 E87 N88 V89	S83-S85 PolarHBondContact O-N 2.57Å; S85-E87 PolarHBondContact O-N 3.4Å; S85-N88 PolarHBondContact N-OD1 2.79Å; S85-N88 PolarHBondContact O-N 2.82Å; S85-N88 PolarHBondContact O-OD1 2.97Å; S85-N88 PolarHBondContact OG-N 3.32Å; S85-V89 WeakPolarHBondContact O-CB 3.41Å; S85-V89 WeakPolarHBondContact O-CG2 3.49Å; S85-V89 PolarHBondContact O-N 3.13Å
86	P	70.7	Confident	67.3	Low	111 Å²	111	61.5 Å²	61.5	72%	0.721	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.3	178	-25.8	35.6	0	0	0	114.3
87	E	64.9	Low	67.5	Low	178 Å²	178	61.7 Å²	61.7	83%	0.832	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-21.1	-178.9	-62.4	172.1	173.9	0	0	113.5	S85	S85-E87 PolarHBondContact O-N 3.4Å
88	N	73.8	Confident	67.8	Low	25 Å²	25	61.7 Å²	61.7	13%	0.134	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-11.2	-178.5	76.6	14	0	0	0	114.6	Q72 S83 L84 S85 D90 D91 V92	Q72-N88 PolarHBondContact NE2-ND2 2.86Å; S83-N88 PolarHBondContact O-ND2 3.35Å; L84-N88 WeakPolarHBondContact CA-OD1 3.34Å; S85-N88 PolarHBondContact N-OD1 2.79Å; S85-N88 PolarHBondContact O-N 2.82Å; S85-N88 PolarHBondContact O-OD1 2.97Å; S85-N88 PolarHBondContact OG-N 3.32Å; N88-D90 VanDerWaalsContact C-N 3.25Å; N88-D90 PolarHBondContact O-N 3.36Å; N88-D91 PolarHBondContact O-N 3.45Å; N88-V92 WeakPolarHBondContact O-CB 3.26Å; N88-V92 VanDerWaalsContact O-CG2 3.31Å; N88-V92 WeakPolarHBondContact O-CG2 3.38Å; N88-V92 PolarHBondContact O-N 3.34Å
89	V	78.4	Confident	68.4	Low	4 Å²	4	58.5 Å²	58.5	2%	0.024	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-28	-174.7	155	0	0	0	0	112.9	L84 S85 L93 C108 L111 K112	L84-V89 HydrophobicContact CB-CG2 3.72Å; L84-V89 HydrophobicContact CD1-CG2 4.49Å; L84-V89 HydrophobicContact CD2-CG2 4.01Å; L84-V89 HydrophobicContact CG-CG2 4.28Å; S85-V89 WeakPolarHBondContact O-CB 3.41Å; S85-V89 WeakPolarHBondContact O-CG2 3.49Å; S85-V89 PolarHBondContact O-N 3.13Å; V89-L93 WeakPolarHBondContact O-CB 3.5Å; V89-L93 PolarHBondContact O-N 3.25Å; V89-C108 HydrophobicContact CG1-CB 4.26Å; V89-L111 HydrophobicContact CG2-CB 4.48Å; V89-L111 HydrophobicContact CG2-CD2 3.7Å; V89-K112 HydrophobicContact CG1-CD 4.24Å; V89-K112 HydrophobicContact CG1-CG 3.66Å
90	D	76.2	Confident	68.6	Low	94 Å²	94	63 Å²	63	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-70.8	-50.2	175.2	-90.4	-87.4	0	0	0	112.4	N88 V92 L93 A94 K112	N88-D90 VanDerWaalsContact C-N 3.25Å; N88-D90 PolarHBondContact O-N 3.36Å; D90-V92 PolarHBondContact O-N 3.24Å; D90-L93 PolarHBondContact O-N 3.16Å; D90-A94 WeakPolarHBondContact O-CB 3.41Å; D90-A94 PolarHBondContact O-N 3.29Å; D90-K112 IonicContact OD1-NZ 2.65Å; D90-K112 PolarHBondContact OD1-NZ 3.04Å; D90-K112 WeakPolarHBondContact OD2-CE 3.39Å; D90-K112 IonicContact OD2-NZ 2.85Å; D90-K112 PolarHBondContact OD2-NZ 3Å
91	D	74.3	Confident	69.4	Low	46 Å²	46	61.4 Å²	61.4	25%	0.246	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-42.3	178.3	-54	-44.2	0	0	0	111.4	N88 A94 V95	N88-D91 PolarHBondContact O-N 3.45Å; D91-A94 PolarHBondContact O-N 3.38Å; D91-V95 VanDerWaalsContact O-CG2 3.26Å; D91-V95 WeakPolarHBondContact O-CG2 3.36Å; D91-V95 PolarHBondContact O-N 3.07Å
92	V	75.6	Confident	70	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-40.1	176.5	175.4	0	0	0	0	111	Q72 V73 L82 L84 N88 D90 A96 I104	Q72-V92 HydrophobicContact CB-CG2 3.62Å; Q72-V92 HydrophobicContact CG-CG2 4.06Å; V73-V92 HydrophobicContact CG2-CG1 3.97Å; L82-V92 HydrophobicContact CD1-CG1 4.33Å; L82-V92 HydrophobicContact CD2-CG1 4.36Å; L84-V92 HydrophobicContact CD2-CB 4.15Å; L84-V92 HydrophobicContact CD2-CG1 3.72Å; L84-V92 HydrophobicContact CD2-CG2 4.45Å; N88-V92 WeakPolarHBondContact O-CB 3.26Å; N88-V92 VanDerWaalsContact O-CG2 3.31Å; N88-V92 WeakPolarHBondContact O-CG2 3.38Å; N88-V92 PolarHBondContact O-N 3.34Å; D90-V92 PolarHBondContact O-N 3.24Å; V92-A96 WeakPolarHBondContact O-CB 3.46Å; V92-A96 PolarHBondContact O-N 3.28Å; V92-I104 HydrophobicContact CG1-CG2 4.01Å
93	L	79.1	Confident	69.9	Low	16 Å²	16	64 Å²	64	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-42.3	174.7	176.1	62.5	0	0	0	111.5	V89 D90 A96 T97 I105 C108 K112	V89-L93 WeakPolarHBondContact O-CB 3.5Å; V89-L93 PolarHBondContact O-N 3.25Å; D90-L93 PolarHBondContact O-N 3.16Å; L93-A96 PolarHBondContact O-N 2.85Å; L93-T97 WeakPolarHBondContact O-CB 3.5Å; L93-T97 PolarHBondContact O-N 3.43Å; L93-T97 PolarHBondContact O-OG1 3.48Å; L93-I105 HydrophobicContact CD1-CB 4.37Å; L93-I105 HydrophobicContact CD1-CG2 4Å; L93-C108 HydrophobicContact CB-CB 3.94Å; L93-C108 HydrophobicContact CD1-CB 3.97Å; L93-C108 HydrophobicContact CG-CB 4.41Å; L93-K112 HydrophobicContact CD2-CD 4.31Å
94	A	70.8	Confident	70.2	Confident	49 Å²	49	60.9 Å²	60.9	41%	0.405	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-49	178.5	0	0	0	0	0	111.4	D90 D91 T97 F98	D90-A94 WeakPolarHBondContact O-CB 3.41Å; D90-A94 PolarHBondContact O-N 3.29Å; D91-A94 PolarHBondContact O-N 3.38Å; A94-T97 PolarHBondContact O-N 3.43Å; A94-F98 PolarHBondContact O-N 3Å
95	V	68.6	Low	70.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-48.3	176	175.8	0	0	0	0	111.3	Y48 L70 V73 D91 T97 F98 L99	Y48-V95 HydrophobicContact CE1-CG1 4.34Å; Y48-V95 HydrophobicContact CE1-CG2 4.16Å; Y48-V95 WeakPolarHBondContact OH-CG2 3.28Å; L70-V95 HydrophobicContact CB-CG1 4.43Å; L70-V95 HydrophobicContact CB-CG2 4.33Å; L70-V95 HydrophobicContact CD1-CG1 3.85Å; V73-V95 HydrophobicContact CB-CG1 4.26Å; V73-V95 HydrophobicContact CG2-CB 4.34Å; V73-V95 HydrophobicContact CG2-CG1 3.96Å; D91-V95 VanDerWaalsContact O-CG2 3.26Å; D91-V95 WeakPolarHBondContact O-CG2 3.36Å; D91-V95 PolarHBondContact O-N 3.07Å; V95-T97 VanDerWaalsContact C-N 3.3Å; V95-T97 PolarHBondContact O-N 3.26Å; V95-F98 PolarHBondContact O-N 3.47Å; V95-L99 HydrophobicContact CG1-CD1 3.81Å; V95-L99 HydrophobicContact CG1-CG 4.44Å; V95-L99 WeakPolarHBondContact O-CB 3.29Å; V95-L99 WeakPolarHBondContact O-CG 3.44Å; V95-L99 PolarHBondContact O-N 3.01Å
96	A	69.8	Low	70.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-35.4	-179.3	0	0	0	0	0	112.4	V92 L93 L99 Q100 M101 I104 I105	V92-A96 WeakPolarHBondContact O-CB 3.46Å; V92-A96 PolarHBondContact O-N 3.28Å; L93-A96 PolarHBondContact O-N 2.85Å; A96-L99 CarbonylContact O-C 3.53Å; A96-L99 PolarHBondContact O-N 2.79Å; A96-Q100 PolarHBondContact O-N 2.86Å; A96-M101 HydrophobicContact CB-CB 4.39Å; A96-M101 PolarHBondContact O-N 3.07Å; A96-I104 HydrophobicContact CB-CB 3.89Å; A96-I104 HydrophobicContact CB-CG2 3.58Å; A96-I105 HydrophobicContact CB-CG1 3.99Å; A96-I105 WeakPolarHBondContact O-CD1 3.49Å
97	T	69.8	Low	71	Confident	71 Å²	71	58.1 Å²	58.1	44%	0.436	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-44.5	175.5	-57.3	0	0	0	0	111.2	L93 A94 V95 Q100	L93-T97 WeakPolarHBondContact O-CB 3.5Å; L93-T97 PolarHBondContact O-N 3.43Å; L93-T97 PolarHBondContact O-OG1 3.48Å; A94-T97 PolarHBondContact O-N 3.43Å; V95-T97 VanDerWaalsContact C-N 3.3Å; V95-T97 PolarHBondContact O-N 3.26Å; T97-Q100 PolarHBondContact O-N 3.1Å
98	F	62.8	Low	71.7	Confident	85 Å²	85	49.6 Å²	49.6	37%	0.373	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174.6	-170.8	-75.8	0	0	0	111.9	Y48 M51 A94 V95 Q100	Y48-F98 HydrophobicContact CD2-CB 4.01Å; Y48-F98 AromaticContact CD2-CD1 3.38Å; Y48-F98 HydrophobicContact CD2-CD1 3.38Å; Y48-F98 AromaticContact CD2-CD2 3.85Å; Y48-F98 HydrophobicContact CD2-CD2 3.85Å; Y48-F98 AromaticContact CD2-CE1 3.78Å; Y48-F98 HydrophobicContact CD2-CE1 3.78Å; Y48-F98 HydrophobicContact CD2-CE2 4.18Å; Y48-F98 AromaticContact CD2-CG 3.44Å; Y48-F98 HydrophobicContact CD2-CG 3.44Å; Y48-F98 VanDerWaalsContact CD2-CG 3.44Å; Y48-F98 HydrophobicContact CD2-CZ 4.16Å; Y48-F98 HydrophobicContact CE2-CB 4.16Å; Y48-F98 HydrophobicContact CE2-CD1 4.34Å; Y48-F98 HydrophobicContact CE2-CD2 4.28Å; Y48-F98 AromaticContact CE2-CG 3.99Å; Y48-F98 HydrophobicContact CE2-CG 3.99Å; Y48-F98 AromaticContact CG-CD1 3.91Å; Y48-F98 HydrophobicContact CG-CD1 3.91Å; Y48-F98 HydrophobicContact CG-CE1 4.17Å; Y48-F98 HydrophobicContact CG-CG 4.39Å; M51-F98 HydrophobicContact CB-CE2 3.84Å; M51-F98 HydrophobicContact CB-CZ 3.95Å; M51-F98 HydrophobicContact CG-CE2 3.78Å; M51-F98 HydrophobicContact CG-CZ 3.7Å; A94-F98 PolarHBondContact O-N 3Å; V95-F98 PolarHBondContact O-N 3.47Å; F98-Q100 PolarHBondContact O-N 3.42Å
99	L	63.3	Low	72	Confident	41 Å²	41	53.3 Å²	53.3	22%	0.215	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	5	178.6	-62.6	176.4	0	0	0	113.5	V73 V95 A96 M101	V73-L99 HydrophobicContact CG1-CD1 4.3Å; V95-L99 HydrophobicContact CG1-CD1 3.81Å; V95-L99 HydrophobicContact CG1-CG 4.44Å; V95-L99 WeakPolarHBondContact O-CB 3.29Å; V95-L99 WeakPolarHBondContact O-CG 3.44Å; V95-L99 PolarHBondContact O-N 3.01Å; A96-L99 CarbonylContact O-C 3.53Å; A96-L99 PolarHBondContact O-N 2.79Å; L99-M101 HydrophobicContact CB-CG 3.9Å; L99-M101 HydrophobicContact CB-SD 4.22Å; L99-M101 HydrophobicContact CD1-SD 4.43Å; L99-M101 PolarHBondContact O-N 2.98Å; L99-M101 VanDerWaalsContact O-N 3.17Å
100	Q	58.9	Low	72.1	Confident	164 Å²	164	55.2 Å²	55.2	77%	0.766	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	30.7	178.3	-55.1	-177.8	8.9	0	0	114.1	A96 T97 F98 Q102	A96-Q100 PolarHBondContact O-N 2.86Å; T97-Q100 PolarHBondContact O-N 3.1Å; F98-Q100 PolarHBondContact O-N 3.42Å; Q100-Q102 VanDerWaalsContact C-N 3.31Å; Q100-Q102 PolarHBondContact O-N 3.23Å
101	M	68.6	Low	72.1	Confident	48 Å²	48	53.9 Å²	53.9	24%	0.236	29%	0.294	C	S	.	.			trans	-82.6	72.9	-176.4	-62.9	-170.6	76.2	0	0	111	V73 M77 A96 L99 D103 I104 I105	V73-M101 HydrophobicContact CG1-SD 3.69Å; M77-M101 HydrophobicContact CG-CE 4.11Å; M77-M101 HydrophobicContact SD-CE 4.22Å; M77-M101 HydrophobicContact SD-SD 4.49Å; A96-M101 HydrophobicContact CB-CB 4.39Å; A96-M101 PolarHBondContact O-N 3.07Å; L99-M101 HydrophobicContact CB-CG 3.9Å; L99-M101 HydrophobicContact CB-SD 4.22Å; L99-M101 HydrophobicContact CD1-SD 4.43Å; L99-M101 PolarHBondContact O-N 2.98Å; L99-M101 VanDerWaalsContact O-N 3.17Å; M101-D103 PolarHBondContact O-N 2.91Å; M101-I104 HydrophobicContact CB-CB 4.32Å; M101-I104 HydrophobicContact CB-CD1 4.06Å; M101-I104 HydrophobicContact CB-CG1 4.3Å; M101-I104 HydrophobicContact CE-CD1 3.61Å; M101-I104 PolarHBondContact O-N 3.23Å; M101-I104 HydrophobicContact SD-CD1 3.88Å; M101-I105 WeakPolarHBondContact O-CG1 3.47Å; M101-I105 PolarHBondContact O-N 3.21Å
102	Q	64.4	Low	72.1	Confident	120 Å²	120	54.6 Å²	54.6	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-52.7	-33.7	-167.7	-161.1	61.6	43.1	0	0	115.2	Q100 T106	Q100-Q102 VanDerWaalsContact C-N 3.31Å; Q100-Q102 PolarHBondContact O-N 3.23Å; Q102-T106 VanDerWaalsContact O-CB 3.3Å; Q102-T106 WeakPolarHBondContact O-CB 3.2Å; Q102-T106 PolarHBondContact O-N 2.94Å; Q102-T106 PolarHBondContact O-OG1 3.41Å
103	D	68.8	Low	72	Confident	142 Å²	142	58.6 Å²	58.6	76%	0.759	32%	0.323	S	S	*	.	H	α-helix	trans	-65.2	-42.3	176.5	-58.7	-34.6	0	0	0	111.9	M101 A107	M101-D103 PolarHBondContact O-N 2.91Å; D103-A107 WeakPolarHBondContact O-CB 3.48Å; D103-A107 PolarHBondContact O-N 2.83Å
104	I	72.5	Confident	71.5	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.026	36%	0.356	C	S	.	.	H	α-helix	trans	-71.3	-43.8	177.3	-57.5	177.8	0	0	0	110.3	V73 F76 L82 V92 A96 M101 T106 A107 C108	V73-I104 HydrophobicContact CG1-CD1 4.28Å; F76-I104 HydrophobicContact CD1-CD1 3.55Å; F76-I104 HydrophobicContact CD1-CG1 4.15Å; F76-I104 HydrophobicContact CE1-CD1 3.7Å; F76-I104 HydrophobicContact CE1-CG1 3.88Å; L82-I104 HydrophobicContact CD2-CG1 4.49Å; L82-I104 HydrophobicContact CD2-CG2 3.75Å; V92-I104 HydrophobicContact CG1-CG2 4.01Å; A96-I104 HydrophobicContact CB-CB 3.89Å; A96-I104 HydrophobicContact CB-CG2 3.58Å; M101-I104 HydrophobicContact CB-CB 4.32Å; M101-I104 HydrophobicContact CB-CD1 4.06Å; M101-I104 HydrophobicContact CB-CG1 4.3Å; M101-I104 HydrophobicContact CE-CD1 3.61Å; M101-I104 PolarHBondContact O-N 3.23Å; M101-I104 HydrophobicContact SD-CD1 3.88Å; I104-T106 VanDerWaalsContact C-N 3.27Å; I104-T106 PolarHBondContact O-N 2.91Å; I104-A107 PolarHBondContact O-N 2.82Å; I104-C108 WeakPolarHBondContact O-CB 3.44Å; I104-C108 PolarHBondContact O-N 3.43Å; I104-C108 PolarHBondContact O-SG 3.35Å
105	I	75.8	Confident	70.9	Confident	11 Å²	11	65.9 Å²	65.9	6%	0.056	37%	0.365	C	S	.	.	H	α-helix	trans	-53.2	-48.7	174.5	-64.1	170.4	0	0	0	109.8	L93 A96 M101 C108 H109	L93-I105 HydrophobicContact CD1-CB 4.37Å; L93-I105 HydrophobicContact CD1-CG2 4Å; A96-I105 HydrophobicContact CB-CG1 3.99Å; A96-I105 WeakPolarHBondContact O-CD1 3.49Å; M101-I105 WeakPolarHBondContact O-CG1 3.47Å; M101-I105 PolarHBondContact O-N 3.21Å; I105-C108 PolarHBondContact O-N 3.03Å; I105-H109 PolarHBondContact O-CD2 3.4Å; I105-H109 PolarHBondContact O-N 3.23Å
106	T	78.5	Confident	69.8	Low	79 Å²	79	73.4 Å²	73.4	49%	0.485	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-41.1	180	-53.9	0	0	0	0	111.8	Q102 I104 A110	Q102-T106 VanDerWaalsContact O-CB 3.3Å; Q102-T106 WeakPolarHBondContact O-CB 3.2Å; Q102-T106 PolarHBondContact O-N 2.94Å; Q102-T106 PolarHBondContact O-OG1 3.41Å; I104-T106 VanDerWaalsContact C-N 3.27Å; I104-T106 PolarHBondContact O-N 2.91Å; T106-A110 VanDerWaalsContact O-CB 3.31Å; T106-A110 WeakPolarHBondContact O-CB 3.38Å; T106-A110 PolarHBondContact O-N 3.38Å
107	A	75.4	Confident	68.4	Low	42 Å²	42	78.4 Å²	78.4	35%	0.347	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-40.1	175.2	0	0	0	0	0	112.8	L84 D103 I104 A110 L111	L84-A107 HydrophobicContact CD1-CB 4.25Å; D103-A107 WeakPolarHBondContact O-CB 3.48Å; D103-A107 PolarHBondContact O-N 2.83Å; I104-A107 PolarHBondContact O-N 2.82Å; A107-A110 PolarHBondContact O-N 3.34Å; A107-L111 PolarHBondContact O-N 3.28Å
108	C	79.5	Confident	66.9	Low	0 Å²	0	80.1 Å²	80.1	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-67.8	-44.8	177.2	-64.3	0	0	0	0	111.7	V89 L93 I104 I105 A110 L111 K112	V89-C108 HydrophobicContact CG1-CB 4.26Å; L93-C108 HydrophobicContact CB-CB 3.94Å; L93-C108 HydrophobicContact CD1-CB 3.97Å; L93-C108 HydrophobicContact CG-CB 4.41Å; I104-C108 WeakPolarHBondContact O-CB 3.44Å; I104-C108 PolarHBondContact O-N 3.43Å; I104-C108 PolarHBondContact O-SG 3.35Å; I105-C108 PolarHBondContact O-N 3.03Å; C108-A110 VanDerWaalsContact C-N 3.33Å; C108-A110 PolarHBondContact O-N 3.48Å; C108-L111 PolarHBondContact O-N 2.89Å; C108-K112 PolarHBondContact O-N 3.35Å
109	H	81.8	Confident	65.4	Low	102 Å²	102	83 Å²	83	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-63.2	-38.1	173.6	-76.8	-63.7	0	0	0	112.6	I105 K112 S113	I105-H109 PolarHBondContact O-CD2 3.4Å; I105-H109 PolarHBondContact O-N 3.23Å; H109-K112 PolarHBondContact O-N 2.71Å; H109-S113 WeakPolarHBondContact O-CB 3.28Å; H109-S113 PolarHBondContact O-N 3.08Å; H109-S113 PolarHBondContact O-OG 2.92Å
110	A	79.1	Confident	64	Low	45 Å²	45	86.6 Å²	86.6	37%	0.372	51%	0.507	S	S	.	.	H	α-helix	trans	-60.4	-45.4	173.2	0	0	0	0	0	111.1	T106 A107 C108 K112 S113 L114	T106-A110 VanDerWaalsContact O-CB 3.31Å; T106-A110 WeakPolarHBondContact O-CB 3.38Å; T106-A110 PolarHBondContact O-N 3.38Å; A107-A110 PolarHBondContact O-N 3.34Å; C108-A110 VanDerWaalsContact C-N 3.33Å; C108-A110 PolarHBondContact O-N 3.48Å; A110-K112 PolarHBondContact O-N 3.27Å; A110-S113 PolarHBondContact O-N 3.33Å; A110-S113 PolarHBondContact O-OG 3.15Å; A110-L114 WeakPolarHBondContact O-CG 3.44Å; A110-L114 PolarHBondContact O-N 3.08Å
111	L	76.1	Confident	63.7	Low	65 Å²	65	85 Å²	85	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-42.3	177.2	-141.4	94.8	0	0	0	112.2	L84 V89 A107 C108 S113 L114 A115	L84-L111 HydrophobicContact CB-CD2 4.03Å; V89-L111 HydrophobicContact CG2-CB 4.48Å; V89-L111 HydrophobicContact CG2-CD2 3.7Å; A107-L111 PolarHBondContact O-N 3.28Å; C108-L111 PolarHBondContact O-N 2.89Å; L111-S113 PolarHBondContact O-N 3.06Å; L111-L114 PolarHBondContact O-N 3.26Å; L111-A115 PolarHBondContact O-N 3.29Å
112	K	75.1	Confident	61.8	Low	62 Å²	62	86.7 Å²	86.7	27%	0.27	54%	0.541	S	S	.	.	H	α-helix	trans	-59.7	-43.7	173.4	-71.7	-169.2	172.1	-160.7	0	112.3	V89 D90 L93 C108 H109 A110 L114 A115 E116	V89-K112 HydrophobicContact CG1-CD 4.24Å; V89-K112 HydrophobicContact CG1-CG 3.66Å; D90-K112 IonicContact OD1-NZ 2.65Å; D90-K112 PolarHBondContact OD1-NZ 3.04Å; D90-K112 WeakPolarHBondContact OD2-CE 3.39Å; D90-K112 IonicContact OD2-NZ 2.85Å; D90-K112 PolarHBondContact OD2-NZ 3Å; L93-K112 HydrophobicContact CD2-CD 4.31Å; C108-K112 PolarHBondContact O-N 3.35Å; H109-K112 PolarHBondContact O-N 2.71Å; A110-K112 PolarHBondContact O-N 3.27Å; K112-L114 PolarHBondContact O-N 3.05Å; K112-L114 VanDerWaalsContact O-N 3.16Å; K112-A115 PolarHBondContact O-N 2.89Å; K112-E116 PolarHBondContact O-N 2.88Å
113	S	74.1	Confident	60.2	Low	84 Å²	84	84.1 Å²	84.1	59%	0.587	55%	0.547	S	S	*	.	H	α-helix	trans	-66.3	-14.2	178.2	73.7	0	0	0	0	114.4	H109 A110 L111	H109-S113 WeakPolarHBondContact O-CB 3.28Å; H109-S113 PolarHBondContact O-N 3.08Å; H109-S113 PolarHBondContact O-OG 2.92Å; A110-S113 PolarHBondContact O-N 3.33Å; A110-S113 PolarHBondContact O-OG 3.15Å; L111-S113 PolarHBondContact O-N 3.06Å
114	L	67.4	Low	58.4	Low	146 Å²	146	85.1 Å²	85.1	76%	0.764	55%	0.552	S	S	*	*	H	α-helix	trans	-95.5	-10.9	173.2	-67.5	168	0	0	0	112.9	A110 L111 K112	A110-L114 WeakPolarHBondContact O-CG 3.44Å; A110-L114 PolarHBondContact O-N 3.08Å; L111-L114 PolarHBondContact O-N 3.26Å; K112-L114 PolarHBondContact O-N 3.05Å; K112-L114 VanDerWaalsContact O-N 3.16Å
115	A	58.7	Low	56.4	Low	72 Å²	72	88.9 Å²	88.9	60%	0.595	58%	0.584	S	S	*	*	H	α-helix	trans	-94.4	-23.9	178.6	0	0	0	0	0	113.3	L111 K112 P117	L111-A115 PolarHBondContact O-N 3.29Å; K112-A115 PolarHBondContact O-N 2.89Å; A115-P117 WeakPolarHBondContact O-CD 3.4Å
116	E	46	Very low	54.4	Low	158 Å²	158	97.1 Å²	97.1	74%	0.738	62%	0.622	S	S	*	*	S	Bend	trans	-82.2	116.3	179.1	-76	-86.8	115	0	0	112.2	K112	K112-E116 PolarHBondContact O-N 2.88Å
117	P	39.4	Very low	52.1	Low	104 Å²	104	96.7 Å²	96.7	68%	0.675	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-77.4	128.5	170.6	31.3	-32.5	0	0	0	110.9	A115 T119	A115-P117 WeakPolarHBondContact O-CD 3.4Å; P117-T119 PolarHBondContact O-N 3.21Å; P117-T119 VanDerWaalsContact O-N 3.15Å
118	A	38.6	Very low	49.9	Very low	108 Å²	108	102.8 Å²	102.8	89%	0.893	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-60.2	117.1	-174	0	0	0	0	0	113.4
119	T	31.8	Very low	47.6	Very low	144 Å²	144	106.8 Å²	106.8	88%	0.883	69%	0.685	S	S	*	*			trans	-121.5	152	161	50.6	0	0	0	0	109.7	P117	P117-T119 PolarHBondContact O-N 3.21Å; P117-T119 VanDerWaalsContact O-N 3.15Å
120	S	34.3	Very low	45	Very low	117 Å²	117	108 Å²	108	82%	0.818	70%	0.7	S	S	*	*			trans	-127.3	171.8	-163.5	80.7	0	0	0	0	110.9
121	P	51.9	Low	42.7	Very low	131 Å²	131	115 Å²	115	85%	0.851	73%	0.725	S	S	*	*				-103.2	154	-129.9	37.1	-36.2	0	0	0	115.7
122	G	28.8	Very low	40.3	Very low	84 Å²	84	115.6 Å²	115.6	87%	0.866	75%	0.747	S	S	*	*			trans	-139.2	130.3	160	0	0	0	0	0	109.1
123	G	30.7	Very low	38.1	Very low	66 Å²	66	116.5 Å²	116.5	68%	0.68	77%	0.774	S	S	*	*			trans	-153	174.7	-176	0	0	0	0	0	113
124	N	30.5	Very low	36.1	Very low	162 Å²	162	118.8 Å²	118.8	87%	0.866	78%	0.779	S	S	*	*			trans	175.7	124.5	158.1	-87.7	-21.6	0	0	0	106.1
125	A	31.9	Very low	34.2	Very low	84 Å²	84	120.4 Å²	120.4	69%	0.694	78%	0.78	S	S	*	*				68.8	138.5	86.2	0	0	0	0	0	112.9
126	E	32.4	Very low	32.8	Very low	184 Å²	184	128 Å²	128	86%	0.86	79%	0.793	S	S	*	*			cis	-158.9	170.8	-4.4	-123.7	-164.8	90.8	0	0	107.5
127	A	31.4	Very low	32.1	Very low	70 Å²	70	124.3 Å²	124.3	58%	0.579	79%	0.79	S	S	*	*			cis	-136.9	-143.7	6.6	0	0	0	0	0	109.4
128	L	28.7	Very low	31.7	Very low	170 Å²	170	126.6 Å²	126.6	89%	0.89	79%	0.789	S	S	*	*			cis	-148.6	-179.7	7.8	-160.9	71.3	0	0	0	108.9
129	A	31.3	Very low	31.3	Very low	84 Å²	84	127.7 Å²	127.7	69%	0.694	78%	0.776	S	S	*	*			trans	-140.9	169.5	-172.1	0	0	0	0	0	114.2
130	T	27.1	Very low	31.3	Very low	127 Å²	127	126.8 Å²	126.8	78%	0.779	76%	0.762	S	S	*	*			trans	-163.5	125.9	135.2	25.3	0	0	0	0	112.2
131	E	29.9	Very low	31.2	Very low	193 Å²	193	129.7 Å²	129.7	90%	0.902	76%	0.76	S	S	*	*			trans	32	143.9	139.5	-49.9	-173.1	131.5	0	0	122.9
132	G	26.5	Very low	30.1	Very low	77 Å²	77	127.4 Å²	127.4	79%	0.794	75%	0.752	S	S	*	*			cis	159.6	144.9	-9.1	0	0	0	0	0	116.3
133	G	29.4	Very low	30.2	Very low	81 Å²	81	127.7 Å²	127.7	84%	0.835	75%	0.746	S	S	*	*			trans	74.7	156.9	155.8	0	0	0	0	0	119.8
134	D	31.1	Very low	30.2	Very low	133 Å²	133	130.3 Å²	130.3	71%	0.711	75%	0.749	S	S	*	*			cis	-165.7	165.4	-12.9	-179.9	30.1	0	0	0	110.2
135	K	28.9	Very low	30.2	Very low	180 Å²	180	127.5 Å²	127.5	78%	0.783	74%	0.742	S	S	*	*			trans	85.3	145.5	162.4	-49.5	177.5	-172.8	163.8	0	119.5
136	R	28.8	Very low	30.2	Very low	231 Å²	231	129.3 Å²	129.3	87%	0.872	74%	0.744	S	S	*	*				174.6	143.9	-52.6	165.9	172.6	-176.1	-168.4	2	110.2
137	A	30.8	Very low	30.2	Very low	80 Å²	80	127.9 Å²	127.9	66%	0.661	74%	0.742	S	S	*	*			trans	71.8	152.3	162.6	0	0	0	0	0	117.5
138	K	31.4	Very low	30.2	Very low	153 Å²	153	129.4 Å²	129.4	67%	0.665	75%	0.748	S	S	*	*			cis	-166	153.2	-6.4	-117.4	175.7	146.6	-132.5	0	111
139	E	30.6	Very low	30.2	Very low	131 Å²	131	132 Å²	132	61%	0.612	75%	0.746	S	S	*	*			trans	61.3	155.3	141.5	-67.5	168.1	164.9	0	0	120.4
140	E	31.8	Very low	30.1	Very low	125 Å²	125	133.9 Å²	133.9	58%	0.584	74%	0.744	S	S	*	*			cis	-157.6	159.6	-7.3	-126	-179.6	140.9	0	0	113.7
141	K	31.7	Very low	30.2	Very low	178 Å²	178	136.2 Å²	136.2	77%	0.774	75%	0.746	S	S	*	*			trans	28	158.7	143	-73.9	175.6	-169.8	152.3	0	123.3
142	A	29.1	Very low	30.2	Very low	83 Å²	83	136.3 Å²	136.3	69%	0.686	75%	0.746	S	S	*	*			cis	179.7	177.9	-19	0	0	0	0	0	111.6
143	A	30.6	Very low	30.2	Very low	89 Å²	89	137.8 Å²	137.8	74%	0.736	75%	0.751	S	S	*	*			trans	78.2	148	146.9	0	0	0	0	0	119.6
144	T	29.5	Very low	29.9	Very low	122 Å²	122	137.2 Å²	137.2	75%	0.748	75%	0.745	S	S	*	*			cis	-167.6	146.6	-13.7	21.4	0	0	0	0	111.8
145	S	31.7	Very low	29.6	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	76%	0.755	S	S	*	*			trans	59.4	178.4	143.4	83.5	0	0	0	0	118
146	T	31.3	Very low	29.4	Very low	122 Å²	122	138.9 Å²	138.9	75%	0.748	75%	0.753	S	S	*	*			cis	-166.5	173.2	-22.8	19.2	0	0	0	0	107.5
147	L	32.5	Very low	29.2	Very low	154 Å²	154	132.2 Å²	132.2	81%	0.806	75%	0.747	S	S	*	*			cis	-149.9	-147.2	9.3	-137	175.1	0	0	0	109.8
148	S	31.1	Very low	29.4	Very low	103 Å²	103	134 Å²	134	72%	0.72	75%	0.751	S	S	*	*			trans	-138	161.9	-169.2	-34.1	0	0	0	0	114.3
149	R	29	Very low	29	Very low	225 Å²	225	133.1 Å²	133.1	85%	0.849	76%	0.76	S	S	*	*			trans	-161.7	121.8	150.5	-132.8	178.4	169.3	154	-2.1	118.5
150	L	29.1	Very low	28.6	Very low	122 Å²	122	130.2 Å²	130.2	64%	0.639	76%	0.764	S	S	*	*			trans	52.8	142.3	139.8	-69.5	174.7	0	0	0	127
151	E	29.4	Very low	28.8	Very low	176 Å²	176	129.9 Å²	129.9	82%	0.822	77%	0.773	S	S	*	*			trans	100.1	160.4	132	-90	167.1	154.8	0	0	124.2
152	Q	29.5	Very low	28.5	Very low	195 Å²	195	126.3 Å²	126.3	91%	0.911	77%	0.771	S	S	*	*			trans	-121.8	150.5	-156	-59.1	175.3	-8.5	0	0	113.2
153	A	25.9	Very low	28.5	Very low	109 Å²	109	132 Å²	132	90%	0.901	77%	0.774	S	S	*	*			trans	-158.7	154.3	150.4	0	0	0	0	0	110
154	G	25	Very low	28.3	Very low	69 Å²	69	132.4 Å²	132.4	71%	0.711	76%	0.764	S	S	*	*			trans	-154.7	166.3	-179.5	0	0	0	0	0	114.9
155	R	24.9	Very low	28.4	Very low	244 Å²	244	133 Å²	133	92%	0.921	76%	0.762	S	S	*	*			trans	178.6	151.6	172.5	-93.6	146.4	-165.3	-91.1	4.9	107.1
156	S	23.4	Very low	28	Very low	104 Å²	104	136.8 Å²	136.8	73%	0.727	77%	0.766	S	S	*	*			cis	-172.1	141.8	-23.7	43.3	0	0	0	0	108
157	A	25.8	Very low	27.6	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	77%	0.766	S	S	*	*			trans	-78.1	173.8	176.2	0	0	0	0	0	112.8
158	P	34.9	Very low	27.4	Very low	116 Å²	116	140.1 Å²	140.1	75%	0.753	77%	0.769	S	S	*	*				-149.5	148.8	94.5	39.1	-22	0	0	0	118.3
159	T	23.1	Very low	27.1	Very low	136 Å²	136	147 Å²	147	83%	0.834	78%	0.779	S	S	*	*			trans	21.9	141.7	145.9	58.3	0	0	0	0	124.3
160	G	20.7	Very low	26.8	Very low	69 Å²	69	139.7 Å²	139.7	71%	0.711	77%	0.773	S	S	*	*			trans	-79.1	-142.1	164.9	0	0	0	0	0	114.9
161	P	37.9	Very low	26.6	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	78%	0.783	S	S	*	*			cis	-146.6	179.6	36.4	44.7	-26.5	0	0	0	118.2
162	S	23.8	Very low	26.5	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	79%	0.787	S	S	*	*			trans	65.1	153.7	152.2	-65.2	0	0	0	0	119.7
163	R	29.8	Very low	26.4	Very low	201 Å²	201	133.5 Å²	133.5	76%	0.758	78%	0.778	S	S	*	*			cis	-165.6	172.6	-13.3	-102.8	172.8	76.9	-179.1	-3.3	105.9
164	D	26.5	Very low	26.6	Very low	98 Å²	98	136.8 Å²	136.8	52%	0.524	78%	0.775	S	S	.	*			cis	-157.1	164.1	12.9	-136.1	10.2	0	0	0	114
165	L	31.8	Very low	26.7	Very low	135 Å²	135	138.3 Å²	138.3	71%	0.707	77%	0.774	S	S	*	*			trans	19	132.2	148	-61.8	169.6	0	0	0	123.5
166	K	23.1	Very low	26.9	Very low	181 Å²	181	131.2 Å²	131.2	79%	0.787	77%	0.768	S	S	*	*				171.3	150.7	97.2	-83.6	-165.1	89.3	169	0	110.3
167	E	23.4	Very low	27.1	Very low	160 Å²	160	130.3 Å²	130.3	75%	0.748	77%	0.767	S	S	*	*			cis	-162.3	151.2	-23.3	-165.7	172.3	-174.2	0	0	107.4
168	E	26.8	Very low	27.1	Very low	186 Å²	186	132.2 Å²	132.2	87%	0.869	78%	0.775	S	S	*	*			trans	-88.3	153.1	-179.9	-86	-148.5	127.7	0	0	114.1
169	R	24.6	Very low	26.7	Very low	248 Å²	248	130.2 Å²	130.2	94%	0.936	78%	0.775	S	S	*	*				-162.4	135.6	122.5	-143.1	168.8	-177.6	163.9	0.9	113.9
170	G	24.1	Very low	26.9	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	78%	0.775	S	S	*	*			trans	-117.5	177.7	169.6	0	0	0	0	0	113.9
171	G	24.7	Very low	27.1	Very low	82 Å²	82	133 Å²	133	85%	0.845	78%	0.777	S	S	*	*			trans	-178.6	136.2	173.8	0	0	0	0	0	112.9
172	Q	26.7	Very low	26.5	Very low	193 Å²	193	134.7 Å²	134.7	90%	0.902	78%	0.775	S	S	*	*			trans	-121.9	159.5	-175.2	-61.3	172.6	-37.3	0	0	112.2
173	A	27.3	Very low	26.6	Very low	88 Å²	88	137.1 Å²	137.1	73%	0.727	79%	0.785	S	S	*	*			trans	171.9	122.5	143.4	0	0	0	0	0	109.1
174	Q	29.5	Very low	26.4	Very low	179 Å²	179	135 Å²	135	84%	0.836	78%	0.784	S	S	*	*				74.3	143.5	69.9	-72.5	-175.5	1.5	0	0	114.3
175	S	28.8	Very low	26.3	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	80%	0.795	S	S	*	*			cis	-175.7	174.1	-7.7	51.2	0	0	0	0	112.5
176	A	27.9	Very low	26	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	80%	0.796	S	S	*	*			trans	70	160.7	148.6	0	0	0	0	0	120.9
177	A	27	Very low	26.1	Very low	85 Å²	85	135.6 Å²	135.6	70%	0.702	80%	0.8	S	S	*	*			cis	-173.8	165	-25.6	0	0	0	0	0	112.6
178	S	27.3	Very low	26.3	Very low	131 Å²	131	132.1 Å²	132.1	92%	0.916	80%	0.799	S	S	*	*			trans	61.4	161.1	158.1	60.1	0	0	0	0	120.5
179	G	25	Very low	26.8	Very low	74 Å²	74	128.7 Å²	128.7	76%	0.763	79%	0.793	S	S	*	*			cis	161.4	151.7	-12	0	0	0	0	0	115.4
180	A	27.6	Very low	26.9	Very low	99 Å²	99	127.3 Å²	127.3	82%	0.818	79%	0.788	S	S	*	*			trans	82	120	156.3	0	0	0	0	0	125.1
181	E	25.2	Very low	26.9	Very low	163 Å²	163	130.6 Å²	130.6	76%	0.762	78%	0.784	S	S	*	*			trans	83.6	117.3	131.9	-66	-164.3	94.8	0	0	128.5
182	Q	25.6	Very low	27.7	Very low	156 Å²	156	131.9 Å²	131.9	73%	0.729	78%	0.778	S	S	*	*			trans	55.2	121.3	133.3	-56.2	-162.9	56.5	0	0	125.3
183	T	24.9	Very low	28.7	Very low	153 Å²	153	128.2 Å²	128.2	94%	0.939	77%	0.77	S	S	*	*				-179.2	175.8	117.9	24.5	0	0	0	0	113.4
184	E	26.5	Very low	29.1	Very low	156 Å²	156	129.5 Å²	129.5	73%	0.729	77%	0.771	S	S	*	*			trans	-95.3	152.2	-166.9	-82	-165.8	82.7	0	0	118.1
185	K	24.6	Very low	29	Very low	176 Å²	176	127.2 Å²	127.2	77%	0.765	77%	0.769	S	S	*	*			trans	79.5	137.7	141.1	-88.4	-177.6	-179	105.3	0	123.8
186	A	25.7	Very low	28.8	Very low	86 Å²	86	129 Å²	129	71%	0.711	77%	0.767	S	S	*	*			trans	92	131.5	145.5	0	0	0	0	0	121.1
187	D	24.9	Very low	28.7	Very low	166 Å²	166	131.1 Å²	131.1	89%	0.888	76%	0.764	S	S	*	*			trans	56.1	158.4	158.4	-76.9	-86.7	0	0	0	123.6
188	A	27.8	Very low	28.7	Very low	87 Å²	87	135 Å²	135	72%	0.719	77%	0.765	S	S	*	*			trans	-132.9	174.6	179.7	0	0	0	0	0	108.3
189	P	37.7	Very low	28.8	Very low	114 Å²	114	134.6 Å²	134.6	74%	0.74	76%	0.759	S	S	*	*			cis	-141.6	-175.5	14	44.2	-25.2	0	0	0	116.6
190	R	25.6	Very low	28.7	Very low	218 Å²	218	138.3 Å²	138.3	82%	0.823	76%	0.761	S	S	*	*			trans	32.7	139.4	141.5	-83.3	-170.9	125.3	135.2	-0.1	121
191	E	24.6	Very low	28.9	Very low	141 Å²	141	139.2 Å²	139.2	66%	0.659	76%	0.759	S	S	*	*			cis	-152.6	-155	-0.5	-47	-166.1	130.1	0	0	107.1
192	P	41.9	Very low	28.9	Very low	109 Å²	109	137.7 Å²	137.7	71%	0.708	76%	0.761	S	S	*	*			cis	-112.4	-147.3	-41.2	40.6	-24.4	0	0	0	108.2
193	P	47.1	Very low	29	Very low	116 Å²	116	135.2 Å²	135.2	75%	0.753	76%	0.761	S	S	*	*			cis	-120.2	-143.1	-14.1	38.6	-15.8	0	0	0	109.6
194	P	34.8	Very low	29	Very low	115 Å²	115	131.5 Å²	131.5	75%	0.747	75%	0.753	S	S	*	*			cis	-131.4	-111.9	-8.3	38.6	-15.5	0	0	0	115
195	V	28.2	Very low	29	Very low	130 Å²	130	133.4 Å²	133.4	79%	0.788	76%	0.764	S	S	*	*			trans	-160.5	163.5	-164.6	-104.6	0	0	0	0	111
196	E	25.2	Very low	29.1	Very low	139 Å²	139	129.6 Å²	129.6	65%	0.65	77%	0.766	S	S	*	*			cis	-117.7	-135.6	-3.7	-148.1	-152.9	142.7	0	0	110.2
197	L	25.3	Very low	29	Very low	140 Å²	140	130.8 Å²	130.8	73%	0.733	78%	0.776	S	S	*	*			cis	-143.7	-144	7.8	-141.2	-178	0	0	0	110.3
198	K	26.4	Very low	29.1	Very low	165 Å²	165	127.4 Å²	127.4	72%	0.717	77%	0.771	S	S	*	*			trans	-146.9	169.5	-167.9	-88	176.6	-175.3	166.5	0	110.1
199	P	29.9	Very low	29	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	78%	0.781	S	S	*	*			cis	-135.7	167.4	20.5	41.4	-24.4	0	0	0	118.1
200	D	24	Very low	28.4	Very low	152 Å²	152	130 Å²	130	81%	0.813	77%	0.768	S	S	*	*			trans	-112.5	142.5	174.5	-116.8	-41.4	0	0	0	111.8
201	P	30.4	Very low	28.4	Very low	119 Å²	119	128 Å²	128	77%	0.773	77%	0.768	S	S	*	*			trans	-93.4	116.8	163.7	33.6	-27.1	0	0	0	111.3
202	T	26.6	Very low	28.3	Very low	130 Å²	130	124.8 Å²	124.8	80%	0.798	77%	0.766	S	S	*	*			trans	-75.9	148.9	-168.2	52.6	0	0	0	0	116.3
203	S	27.3	Very low	27.5	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	77%	0.769	S	S	*	*			trans	-40.5	158.6	155.7	50.9	0	0	0	0	115.1
204	G	24.7	Very low	26.4	Very low	75 Å²	75	126.5 Å²	126.5	77%	0.773	78%	0.775	S	S	*	*			cis	93.1	70.7	0.4	0	0	0	0	0	114.5
205	M	26.9	Very low	25.8	Very low	195 Å²	195	126.9 Å²	126.9	96%	0.961	78%	0.779	S	S	*	*			trans	-147.7	157.9	167	-130	177	-176.9	0	0	112.8
206	A	27.2	Very low	25.6	Very low	97 Å²	97	129.7 Å²	129.7	80%	0.802	78%	0.783	S	S	*	*			trans	-106.3	157.4	-176	0	0	0	0	0	111.8
207	A	23	Very low	25.6	Very low	111 Å²	111	126.2 Å²	126.2	92%	0.917	77%	0.774	S	S	*	*			trans	-125.3	110.3	161.8	0	0	0	0	0	108.2
208	A	27.3	Very low	25.6	Very low	94 Å²	94	125.1 Å²	125.1	78%	0.777	78%	0.778	S	S	*	*			trans	-117.5	133.9	166.9	0	0	0	0	0	107
209	E	24.8	Very low	25.6	Very low	199 Å²	199	123.5 Å²	123.5	93%	0.93	77%	0.773	S	S	*	*			trans	-150.6	160.7	171.4	-132.2	158	-142.1	0	0	110.3
210	A	25.1	Very low	25.3	Very low	58 Å²	58	126.8 Å²	126.8	48%	0.479	78%	0.778	S	S	.	*			trans	-106	156.3	-177.1	0	0	0	0	0	110.7
211	E	25.7	Very low	25.4	Very low	176 Å²	176	128.9 Å²	128.9	82%	0.822	78%	0.783	S	S	*	*			trans	-141.1	142.9	154.9	-86.3	-61.6	-179	0	0	108.1
212	A	22	Very low	25	Very low	73 Å²	73	132 Å²	132	60%	0.603	79%	0.789	S	S	*	*			trans	-143	128.4	-171.3	0	0	0	0	0	112.4
213	A	26.5	Very low	24.9	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	79%	0.792	S	S	*	*			trans	59.2	132.8	-177.3	0	0	0	0	0	113.8
214	L	22.7	Very low	24.8	Very low	167 Å²	167	136.4 Å²	136.4	87%	0.874	80%	0.799	S	S	*	*				-152.7	153.5	52.6	-79.4	160	0	0	0	110.1
215	C	22.3	Very low	24.7	Very low	123 Å²	123	141 Å²	141	83%	0.831	80%	0.8	S	S	*	*			trans	-160.6	97.1	165.1	-166	0	0	0	0	109.8
216	E	23.6	Very low	24.7	Very low	188 Å²	188	137.1 Å²	137.1	88%	0.879	79%	0.789	S	S	*	*			trans	-74.4	122.6	168.8	-65.3	172.7	117.5	0	0	108.7	S218	E216-S218 PolarHBondContact O-N 3.26Å
217	S	26.5	Very low	24.5	Very low	66 Å²	66	137 Å²	137	46%	0.462	79%	0.788	S	S	.	*			trans	-86.7	87.9	-177.1	58	0	0	0	0	111.3	E219	S217-E219 PolarHBondContact O-N 2.79Å
218	S	24.1	Very low	24.6	Very low	118 Å²	118	143.6 Å²	143.6	83%	0.825	79%	0.79	S	S	*	*			trans	-78.5	96	162.9	-168.6	0	0	0	0	109	E216	E216-S218 PolarHBondContact O-N 3.26Å
219	E	27.3	Very low	24.5	Very low	130 Å²	130	148.9 Å²	148.9	61%	0.607	80%	0.795	S	S	*	*			trans	-102.8	101.3	178.3	-63.8	-175.7	140.7	0	0	108.6	S217 R422	S217-E219 PolarHBondContact O-N 2.79Å; E219-R422 IonicContact OE1-CZ 2.71Å; E219-R422 IonicContact OE1-NH2 2.68Å; E219-R422 PolarHBondContact OE1-NH2 2.8Å; E219-R422 IonicContact OE2-CZ 3.23Å; E219-R422 IonicContact OE2-NE 3.7Å; E219-R422 PolarHBondContact OE2-NE 3.07Å; E219-R422 IonicContact OE2-NH2 2.92Å; E219-R422 PolarHBondContact OE2-NH2 3.47Å
220	Q	24.3	Very low	24.5	Very low	193 Å²	193	143 Å²	143	90%	0.902	79%	0.788	S	S	*	*			trans	-89.5	144.5	166.2	-88.6	-174.4	-27.9	0	0	110.3
221	E	25.1	Very low	24.6	Very low	195 Å²	195	149 Å²	149	91%	0.911	81%	0.806	S	S	*	*			trans	-82.1	142.7	-171.9	-59.5	172.4	137.8	0	0	112.2
222	M	22.5	Very low	24.4	Very low	185 Å²	185	149.5 Å²	149.5	91%	0.911	81%	0.808	S	S	*	*			trans	-152.6	122.7	158.9	-166.2	172.3	-174.8	0	0	109.6
223	E	25	Very low	24.6	Very low	184 Å²	184	154.4 Å²	154.4	86%	0.86	82%	0.819	S	S	*	*			trans	-81.8	142	-175.7	-56.6	178.3	125.7	0	0	112.5
224	V	24	Very low	24.5	Very low	143 Å²	143	158.6 Å²	158.6	87%	0.867	82%	0.822	S	S	*	*			trans	-146.6	135.5	154.9	-173.1	0	0	0	0	109.4
225	E	23.6	Very low	24.6	Very low	172 Å²	172	160 Å²	160	80%	0.804	82%	0.824	S	S	*	*			trans	-63.7	158.6	179	-86	-81.8	91.8	0	0	115
226	P	25.8	Very low	24.7	Very low	113 Å²	113	162.9 Å²	162.9	73%	0.734	83%	0.826	S	S	*	*			trans	-90.4	142.2	-173.6	35.2	-34	0	0	0	114.2
227	A	23.2	Very low	24.8	Very low	95 Å²	95	163.5 Å²	163.5	79%	0.785	83%	0.828	S	S	*	*			trans	-134.1	120.7	170.9	0	0	0	0	0	112.9
228	R	25.5	Very low	24.8	Very low	249 Å²	249	169.3 Å²	169.3	94%	0.94	85%	0.848	S	S	*	*			trans	39.3	110.9	152.7	-58.8	-177.4	-177.9	-171.7	-1.4	118.2
229	K	25.8	Very low	24.7	Very low	205 Å²	205	173 Å²	173	89%	0.891	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-79.3	133.9	154.6	-68.2	171.3	-176.9	162.8	0	108.7
230	G	24.5	Very low	24.6	Very low	75 Å²	75	176.1 Å²	176.1	77%	0.773	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-78.8	153.5	155.5	0	0	0	0	0	110
231	E	26.1	Very low	24.6	Very low	184 Å²	184	170.6 Å²	170.6	86%	0.86	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-82.8	159.6	170.4	-70.5	132.5	145.6	0	0	111.1
232	E	22.9	Very low	24.5	Very low	188 Å²	188	166.4 Å²	166.4	88%	0.879	86%	0.861	S	S	*	*			trans	-135.8	122.5	158.1	-100.4	179.9	179.4	0	0	105.4
233	E	24.4	Very low	24.5	Very low	175 Å²	175	161.1 Å²	161.1	82%	0.818	85%	0.853	S	S	*	*			trans	-75.3	176.8	-174.9	-65	117.8	139.2	0	0	113.1
234	Q	26.3	Very low	24.7	Very low	183 Å²	183	158.8 Å²	158.8	86%	0.855	85%	0.854	S	S	*	*			trans	-117.1	117.2	158.2	-73.1	176.9	21	0	0	107	E236	Q234-E236 PolarHBondContact O-N 2.86Å
235	E	23.8	Very low	24.8	Very low	197 Å²	197	156.8 Å²	156.8	92%	0.921	85%	0.852	S	S	*	*			trans	-63.1	113.2	172.1	-63.3	170	132.2	0	0	108.8
236	E	24.4	Very low	24.7	Very low	183 Å²	183	157.7 Å²	157.7	86%	0.855	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-87.8	153.2	159.6	-64.3	-166	141.9	0	0	108.7	Q234	Q234-E236 PolarHBondContact O-N 2.86Å
237	Q	26.6	Very low	24.6	Very low	200 Å²	200	159.1 Å²	159.1	94%	0.935	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-89.7	119.5	-175	-68.7	175.6	-23.1	0	0	110.2
238	E	24.5	Very low	24.6	Very low	188 Å²	188	162.9 Å²	162.9	88%	0.879	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-85.1	135.1	173.2	-64	-176.6	142.2	0	0	111.5
239	E	23.7	Very low	24.5	Very low	197 Å²	197	158.7 Å²	158.7	92%	0.921	85%	0.853	S	S	*	*			trans	-119.9	115.1	148.2	-85	-161.6	152.8	0	0	108.3
240	E	25.5	Very low	24.4	Very low	195 Å²	195	157.2 Å²	157.2	91%	0.911	85%	0.849	S	S	*	*			trans	-88.7	152	148.5	-68.8	-155.9	140.6	0	0	108.6
241	G	22.8	Very low	24.3	Very low	76 Å²	76	156.8 Å²	156.8	78%	0.784	85%	0.845	S	S	*	*			cis	165.3	158.9	-0.2	0	0	0	0	0	109.7
242	A	22.7	Very low	24.3	Very low	108 Å²	108	154.6 Å²	154.6	89%	0.893	85%	0.847	S	S	*	*			trans	-146.6	134.5	177.7	0	0	0	0	0	112.5
243	G	22.6	Very low	24.3	Very low	73 Å²	73	154.4 Å²	154.4	75%	0.753	85%	0.846	S	S	*	*			trans	-83.6	-171	-175.3	0	0	0	0	0	115.9
244	P	31	Very low	24.3	Very low	136 Å²	136	153.5 Å²	153.5	88%	0.883	85%	0.845	S	S	*	*			trans	-94.1	163	-151.4	36.3	-38.3	0	0	0	115.7
245	A	24.7	Very low	24.1	Very low	100 Å²	100	152.3 Å²	152.3	83%	0.826	84%	0.84	S	S	*	*			trans	-141.2	132.7	161.7	0	0	0	0	0	110.6
246	E	21.7	Very low	24.1	Very low	191 Å²	191	150.4 Å²	150.4	89%	0.893	84%	0.836	S	S	*	*			trans	-83.3	135.8	173.3	-61.3	175.1	94.8	0	0	111
247	V	24.8	Very low	24.1	Very low	144 Å²	144	144.8 Å²	144.8	87%	0.873	83%	0.827	S	S	*	*			trans	-141	127.6	157.8	-179.9	0	0	0	0	108.7
248	K	21.8	Very low	23.9	Very low	173 Å²	173	145.2 Å²	145.2	75%	0.752	83%	0.829	S	S	*	*			trans	-90	155.3	164.1	-62.2	173.3	-178.8	172.8	0	108.8
249	E	23.7	Very low	23.9	Very low	162 Å²	162	140.7 Å²	140.7	76%	0.757	82%	0.824	S	S	*	*				176.5	161.8	116.4	-87.4	-58.5	81	0	0	110.6
250	E	24.4	Very low	24.2	Very low	173 Å²	173	137.2 Å²	137.2	81%	0.808	82%	0.819	S	S	*	*			trans	-28.2	158.5	-177.5	-47.9	-165.3	126.5	0	0	121.7
251	G	21.8	Very low	24.2	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	82%	0.818	S	S	*	*			trans	-88	-175.7	165.8	0	0	0	0	0	113.2
252	P	27.3	Very low	24.2	Very low	138 Å²	138	142.2 Å²	142.2	90%	0.896	82%	0.822	S	S	*	*				-140.4	173.5	104.6	38.9	-27.6	0	0	0	114.8
253	Q	21.8	Very low	24.3	Very low	184 Å²	184	144.1 Å²	144.1	86%	0.86	82%	0.817	S	S	*	*			trans	-79.6	158.8	177.1	-56.4	162.3	-71.6	0	0	112
254	L	24.6	Very low	24.5	Very low	155 Å²	155	148.7 Å²	148.7	81%	0.812	82%	0.818	S	S	*	*				-173.9	116.9	126.2	-99.5	175.3	0	0	0	113
255	E	22.4	Very low	24.2	Very low	158 Å²	158	149.5 Å²	149.5	74%	0.738	82%	0.815	S	S	*	*			trans	42	144.4	146.7	-62.1	-172.5	140.7	0	0	125.6
256	N	24	Very low	24.3	Very low	158 Å²	158	153.8 Å²	153.8	85%	0.845	82%	0.818	S	S	*	*			trans	71.8	137.6	161.7	-52.2	-51	0	0	0	117.6
257	G	22.7	Very low	24.5	Very low	65 Å²	65	153.4 Å²	153.4	67%	0.67	82%	0.817	S	S	*	*			cis	174.3	169.1	-4.9	0	0	0	0	0	112.4
258	E	23.3	Very low	24.6	Very low	209 Å²	209	152.7 Å²	152.7	98%	0.977	82%	0.818	S	S	*	*			trans	67.5	144.9	176	-56	-171.8	118.6	0	0	117.8
259	A	24.6	Very low	24.8	Very low	92 Å²	92	149.5 Å²	149.5	76%	0.76	82%	0.824	S	S	*	*			trans	-131.5	163.5	175.6	0	0	0	0	0	109.3
260	P	30.3	Very low	24.7	Very low	125 Å²	125	144.9 Å²	144.9	81%	0.812	82%	0.819	S	S	*	*			trans	-130	115.2	150.6	33.8	-20.7	0	0	0	113.2
261	E	24.9	Very low	24.9	Very low	192 Å²	192	143.7 Å²	143.7	90%	0.897	82%	0.824	S	S	*	*			trans	26.1	124.1	144.3	-57.4	-172.8	153.1	0	0	120.6
262	E	23.8	Very low	25.1	Very low	184 Å²	184	147.3 Å²	147.3	86%	0.86	83%	0.828	S	S	*	*			trans	-61.3	152.2	160.3	-64.8	151.3	-177.1	0	0	111.4
263	N	24.8	Very low	25.2	Very low	148 Å²	148	146 Å²	146	79%	0.791	82%	0.822	S	S	*	*			trans	-146.7	96	166.3	-157.2	-36.5	0	0	0	110.4
264	E	25.7	Very low	25.4	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	82%	0.816	S	S	*	*			trans	-68.3	152.2	179.7	-57	179.2	128.4	0	0	111.2
265	N	24.1	Very low	25.6	Very low	153 Å²	153	142.9 Å²	142.9	82%	0.818	82%	0.823	S	S	*	*			trans	-147.9	88.1	167.7	-101.8	-102.3	0	0	0	107.8
266	E	26.8	Very low	25.8	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	83%	0.827	S	S	*	*			trans	-70.9	162.9	170.9	-73.5	-147.2	119.3	0	0	112.3
267	E	27.2	Very low	26	Very low	184 Å²	184	144.6 Å²	144.6	86%	0.86	83%	0.83	S	S	*	*			trans	-85.8	165.1	-176.2	-57.6	-172.6	112.8	0	0	112
268	S	26.2	Very low	26.1	Very low	129 Å²	129	145.4 Å²	145.4	90%	0.902	84%	0.839	S	S	*	*			trans	-134.1	112.6	161.6	44.2	0	0	0	0	111.1
269	A	25.3	Very low	26.3	Very low	106 Å²	106	140.2 Å²	140.2	88%	0.876	83%	0.832	S	S	*	*			trans	-120.3	146.9	159.8	0	0	0	0	0	107.3
270	G	23.2	Very low	26.3	Very low	64 Å²	64	144.4 Å²	144.4	66%	0.66	84%	0.836	S	S	*	*			trans	-120.5	-167.3	-176.3	0	0	0	0	0	113.3
271	T	28.8	Very low	26.1	Very low	148 Å²	148	142.4 Å²	142.4	91%	0.908	83%	0.829	S	S	*	*			trans	73.7	137.7	-172.3	68.9	0	0	0	0	114.1
272	D	24.8	Very low	26.3	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	83%	0.828	S	S	*	*			cis	-162.6	172.9	-10.5	172.3	58.2	0	0	0	110.1
273	S	30.2	Very low	26.4	Very low	110 Å²	110	138.5 Å²	138.5	77%	0.769	82%	0.818	S	S	*	*			trans	76.3	148.3	166.6	-73.4	0	0	0	0	116.7
274	G	26.4	Very low	26.5	Very low	73 Å²	73	138.1 Å²	138.1	75%	0.753	82%	0.815	S	S	*	*			trans	-163.5	-169.6	-171.7	0	0	0	0	0	113.9
275	Q	28.4	Very low	26.7	Very low	202 Å²	202	141 Å²	141	94%	0.944	82%	0.819	S	S	*	*			trans	-154.5	171.7	178.8	-111.4	168.8	-1.2	0	0	112.1
276	E	26.1	Very low	26.8	Very low	178 Å²	178	138.7 Å²	138.7	83%	0.832	82%	0.815	S	S	*	*			trans	-91.5	179.3	-165.2	-57.2	-173.9	115.5	0	0	115.7
277	L	27.8	Very low	26.9	Very low	173 Å²	173	133.5 Å²	133.5	91%	0.906	81%	0.812	S	S	*	*			trans	98.2	145.6	158.8	-52.4	-179.5	0	0	0	118.3
278	G	24.7	Very low	27.1	Very low	83 Å²	83	130.4 Å²	130.4	86%	0.856	81%	0.806	S	S	*	*			trans	111	95.5	160.8	0	0	0	0	0	115.6
279	A	27.3	Very low	27.3	Very low	100 Å²	100	135.9 Å²	135.9	83%	0.826	81%	0.809	S	S	*	*			trans	-110.6	141.2	162.9	0	0	0	0	0	109.9
280	E	25.1	Very low	27.6	Very low	180 Å²	180	134.1 Å²	134.1	84%	0.841	80%	0.801	S	S	*	*			trans	-167.2	171.1	137	-109.1	-154.9	129.7	0	0	111	R282	E280-R282 IonicContact OE1-NH1 3.33Å
281	A	27.4	Very low	27.9	Very low	82 Å²	82	138.1 Å²	138.1	68%	0.678	81%	0.807	S	S	*	*			trans	-134.1	139.4	-170.9	0	0	0	0	0	113.4
282	R	28.6	Very low	28.1	Very low	231 Å²	231	141.9 Å²	141.9	87%	0.872	81%	0.805	S	S	*	*			trans	173.3	146.3	157.2	-88.2	136.8	-173.2	148.3	0.7	106.7	E280	E280-R282 IonicContact OE1-NH1 3.33Å
283	G	25	Very low	28.7	Very low	63 Å²	63	141 Å²	141	65%	0.649	81%	0.805	S	S	*	*			cis	139.3	151.1	-2.4	0	0	0	0	0	111.6
284	L	28	Very low	29.3	Very low	141 Å²	141	145 Å²	145	74%	0.738	81%	0.811	S	S	*	*			trans	81.1	113.7	-177.4	-47.9	171.2	0	0	0	113.1
285	R	30.3	Very low	30	Very low	228 Å²	228	147 Å²	147	86%	0.86	81%	0.813	S	S	*	*				79.8	140.3	69.3	-81.7	-163.7	-76.5	-159.4	-5	113
286	S	26.1	Very low	30.4	Very low	104 Å²	104	146 Å²	146	73%	0.727	81%	0.806	S	S	*	*			cis	-168.3	144.5	-11	-176.9	0	0	0	0	109.2
287	G	27.7	Very low	31.1	Very low	81 Å²	81	142.1 Å²	142.1	84%	0.835	81%	0.805	S	S	*	*			trans	-155.4	100.6	176.4	0	0	0	0	0	112.2
288	T	31.4	Very low	31.8	Very low	119 Å²	119	144.2 Å²	144.2	73%	0.73	80%	0.802	S	S	*	*			trans	-100.7	125.9	-172.9	50.1	0	0	0	0	112.6
289	Y	30.2	Very low	32.8	Very low	245 Å²	245	143.3 Å²	143.3	96%	0.961	79%	0.792	S	S	*	*			trans	-142	145.6	144.5	-107.9	-81.1	0	0	0	109.2
290	G	31.8	Very low	34.3	Very low	69 Å²	69	142.7 Å²	142.7	71%	0.711	78%	0.782	S	S	*	*			trans	-105.2	144.9	-161.8	0	0	0	0	0	115.5
291	D	30.3	Very low	36.3	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	77%	0.77	S	S	*	*			trans	53.3	102.6	137.3	-171.7	21.1	0	0	0	119.1
292	R	32.8	Very low	38.5	Very low	228 Å²	228	139.3 Å²	139.3	86%	0.86	76%	0.761	S	S	*	*				-162	145.8	122.7	-112.7	163.3	172.8	156.5	-1.9	114.7
293	T	37.3	Very low	40.6	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	73%	0.729	S	S	*	*			trans	87.1	95	171	69.5	0	0	0	0	118.5	S295	T293-S295 PolarHBondContact O-N 2.99Å
294	E	42.3	Very low	42.9	Very low	195 Å²	195	133.7 Å²	133.7	91%	0.911	73%	0.725	S	S	*	*			trans	-69.2	87.5	167.7	-60	178.4	117.4	0	0	112.1	K296	E294-K296 VanDerWaalsContact C-N 3.27Å; E294-K296 PolarHBondContact O-N 3.45Å
295	S	40.9	Very low	45.2	Very low	114 Å²	114	127.2 Å²	127.2	80%	0.797	69%	0.692	S	S	*	*			trans	-79.2	78.5	168.6	-70.6	0	0	0	0	111.2	T293 A297	T293-S295 PolarHBondContact O-N 2.99Å; S295-A297 PolarHBondContact O-N 2.84Å
296	K	38.3	Very low	47.2	Very low	180 Å²	180	125 Å²	125	78%	0.783	69%	0.691	S	S	*	*			trans	-35.4	112.5	178.3	-175.2	175.6	-173.2	169.3	0	113.7	E294 Y298	E294-K296 VanDerWaalsContact C-N 3.27Å; E294-K296 PolarHBondContact O-N 3.45Å; K296-Y298 PolarHBondContact O-N 2.84Å
297	A	40.7	Very low	49	Very low	98 Å²	98	125.4 Å²	125.4	81%	0.81	69%	0.685	S	S	*	*			trans	-62.1	103.7	176.8	0	0	0	0	0	111.4	S295 G299	S295-A297 PolarHBondContact O-N 2.84Å; A297-G299 PolarHBondContact O-N 3.05Å
298	Y	41.4	Very low	51.1	Low	217 Å²	217	124.2 Å²	124.2	85%	0.851	66%	0.664	S	S	*	*			trans	-74.6	117.3	167.3	-114.7	-87.3	0	0	0	108.5	K296 S300	K296-Y298 PolarHBondContact O-N 2.84Å; Y298-S300 PolarHBondContact O-N 3.2Å; Y298-S300 VanDerWaalsContact O-N 3.15Å
299	G	46.4	Very low	53.1	Low	63 Å²	63	121.3 Å²	121.3	65%	0.649	66%	0.657	S	S	*	*			trans	-58.4	118.5	178.7	0	0	0	0	0	111.3	A297 V301	A297-G299 PolarHBondContact O-N 3.05Å; G299-V301 PolarHBondContact O-N 3.47Å
300	S	57.8	Low	55.2	Low	88 Å²	88	115.4 Å²	115.4	62%	0.615	64%	0.636	S	S	*	*			trans	-69.6	95.5	175.1	36.8	0	0	0	0	109.7	Y298 I302	Y298-S300 PolarHBondContact O-N 3.2Å; Y298-S300 VanDerWaalsContact O-N 3.15Å; S300-I302 PolarHBondContact O-N 3.42Å
301	V	67.7	Low	57.3	Low	96 Å²	96	118.1 Å²	118.1	58%	0.582	63%	0.63	S	S	*	*			trans	-62.5	107.7	176.1	-178.4	0	0	0	0	109	G299 H303	G299-V301 PolarHBondContact O-N 3.47Å; V301-H303 PolarHBondContact O-CD2 2.91Å; V301-H303 PolarHBondContact O-N 3.41Å
302	I	73.4	Confident	59.7	Low	94 Å²	94	113.2 Å²	113.2	48%	0.482	60%	0.602	S	S	.	*			trans	-75.6	118.4	176.2	-58.1	179.3	0	0	0	108.2	S300 E311	S300-I302 PolarHBondContact O-N 3.42Å; I302-E311 HydrophobicContact CG2-CB 3.73Å; I302-E311 HydrophobicContact CG2-CG 4.21Å
303	H	73.6	Confident	61.7	Low	47 Å²	47	106.3 Å²	106.3	22%	0.218	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.5	106.2	177.1	-66.2	-81	0	0	0	110.3	V301 F312 T315 F318	V301-H303 PolarHBondContact O-CD2 2.91Å; V301-H303 PolarHBondContact O-N 3.41Å; H303-F312 PolarHBondContact N-O 3.4Å; H303-F312 PolarHBondContact O-N 2.93Å; H303-T315 WeakPolarHBondContact NE2-CG2 3.29Å; H303-F318 HydrophobicContact CB-CB 3.73Å; H303-F318 HydrophobicContact CB-CD1 3.53Å; H303-F318 HydrophobicContact CB-CD2 3.68Å; H303-F318 HydrophobicContact CB-CE1 3.92Å; H303-F318 HydrophobicContact CB-CE2 4.08Å; H303-F318 HydrophobicContact CB-CG 3.37Å; H303-F318 HydrophobicContact CB-CZ 4.17Å; H303-F318 AromaticContact CG-CD1 3.84Å; H303-F318 AromaticContact ND1-CD1 3.98Å
304	K	71.8	Confident	63.4	Low	130 Å²	130	106 Å²	106	57%	0.565	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.3	139	173.6	63.3	-176.8	-178.9	176.6	0	111.5	K310 E311 F318	K304-K310 CarbonylContact C-O 3.57Å; K304-E311 HydrophobicContact CB-CG 4.05Å; K304-F318 WeakPolarHBondContact O-CE2 3.38Å; K304-F318 WeakPolarHBondContact O-CZ 3.2Å
305	C	77.1	Confident	65	Low	4 Å²	4	100.7 Å²	100.7	3%	0.027	56%	0.556	C	S	.	*			trans	-89.7	127.8	173.5	175.1	0	0	0	0	110.7	G309 K310 F318 H321 H325	C305-G309 WeakPolarHBondContact O-CA 3.26Å; C305-G309 PolarHBondContact O-N 3.35Å; C305-K310 PolarHBondContact N-O 3.04Å; C305-F318 HydrophobicContact CB-CE2 4.09Å; C305-H321 PolarHBondContact SG-NE2 3.35Å; C305-H321 VanDerWaalsContact SG-NE2 3.38Å; C305-H325 VanDerWaalsContact SG-CD2 3.53Å; C305-H325 PolarHBondContact SG-NE2 3.04Å
306	E	71.2	Confident	66.4	Low	181 Å²	181	97.5 Å²	97.5	85%	0.846	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-30.9	-176.1	-58.5	-176.7	151	0	0	111.5	C308	E306-C308 PolarHBondContact O-N 2.68Å
307	D	65.3	Low	68	Low	114 Å²	114	91.5 Å²	91.5	61%	0.61	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-24.3	-179.6	-44.1	-76.5	0	0	0	114.4	H325	D307-H325 IonicContact OD2-CD2 2.71Å; D307-H325 PolarHBondContact OD2-CD2 2.9Å; D307-H325 VanDerWaalsContact OD2-CD2 3.24Å; D307-H325 IonicContact OD2-CG 3.59Å
308	C	71.9	Confident	69.7	Low	56 Å²	56	88.7 Å²	88.7	38%	0.378	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.7	17.9	-179.5	81.4	0	0	0	0	116.5	E306 K310 H321	E306-C308 PolarHBondContact O-N 2.68Å; C308-K310 PolarHBondContact O-N 2.75Å; C308-K310 VanDerWaalsContact O-N 3.09Å; C308-H321 PolarHBondContact SG-CE1 3.11Å; C308-H321 PolarHBondContact SG-NE2 3.43Å
309	G	73.8	Confident	71.1	Confident	58 Å²	58	85 Å²	85	60%	0.598	48%	0.476	S	S	*	.			trans	70	2.5	170.4	0	0	0	0	0	116.7	C305	C305-G309 WeakPolarHBondContact O-CA 3.26Å; C305-G309 PolarHBondContact O-N 3.35Å
310	K	73.1	Confident	72.2	Confident	120 Å²	120	87 Å²	87	52%	0.522	46%	0.463	S	S	.	.			trans	-78.1	132.2	-174.8	-69.6	-179	-176.3	-179.6	0	112.2	K304 C305 C308 F312	K304-K310 CarbonylContact C-O 3.57Å; C305-K310 PolarHBondContact N-O 3.04Å; C308-K310 PolarHBondContact O-N 2.75Å; C308-K310 VanDerWaalsContact O-N 3.09Å; K310-F312 HydrophobicContact CB-CE2 3.6Å; K310-F312 HydrophobicContact CB-CZ 3.85Å; K310-F312 WeakPolarHBondContact O-CD2 3.48Å; K310-F312 VanDerWaalsContact O-CE2 3.32Å; K310-F312 WeakPolarHBondContact O-CE2 3.46Å
311	E	76.3	Confident	73	Confident	126 Å²	126	83.5 Å²	83.5	59%	0.589	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.7	-179	-59.9	-157.6	145.9	0	0	112.5	I302 K304	I302-E311 HydrophobicContact CG2-CB 3.73Å; I302-E311 HydrophobicContact CG2-CG 4.21Å; K304-E311 HydrophobicContact CB-CG 4.05Å
312	F	80.3	Confident	73.2	Confident	45 Å²	45	81.2 Å²	81.2	20%	0.197	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	121.3	-175.9	-61.2	-87.3	0	0	0	111.3	H303 K310 H314 N317 F318 H321	H303-F312 PolarHBondContact N-O 3.4Å; H303-F312 PolarHBondContact O-N 2.93Å; K310-F312 HydrophobicContact CB-CE2 3.6Å; K310-F312 HydrophobicContact CB-CZ 3.85Å; K310-F312 WeakPolarHBondContact O-CD2 3.48Å; K310-F312 VanDerWaalsContact O-CE2 3.32Å; K310-F312 WeakPolarHBondContact O-CE2 3.46Å; F312-H314 PolarHBondContact O-N 3.19Å; F312-N317 HydrophobicContact CB-CB 4.38Å; F312-N317 HydrophobicContact CD1-CB 3.85Å; F312-N317 HydrophobicContact CG-CB 4.45Å; F312-F318 HydrophobicContact CB-CB 4.06Å; F312-F318 HydrophobicContact CD2-CB 4.46Å; F312-F318 AromaticContact CD2-CD2 3.91Å; F312-F318 HydrophobicContact CD2-CD2 3.91Å; F312-F318 HydrophobicContact CG-CB 4.4Å; F312-H321 HydrophobicContact CD2-CB 4.49Å; F312-H321 HydrophobicContact CE1-CB 4.06Å; F312-H321 HydrophobicContact CE2-CB 3.74Å; F312-H321 AromaticContact CE2-CD2 3.28Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.45Å; F312-H321 AromaticContact CE2-CG 3.47Å; F312-H321 VanDerWaalsContact CE2-CG 3.47Å; F312-H321 HydrophobicContact CZ-CB 3.48Å; F312-H321 VanDerWaalsContact CZ-CB 3.48Å; F312-H321 AromaticContact CZ-CD2 3.6Å; F312-H321 AromaticContact CZ-CG 3.29Å; F312-H321 AromaticContact CZ-ND1 3.81Å
313	T	74.4	Confident	73.3	Confident	83 Å²	83	78.9 Å²	78.9	51%	0.509	41%	0.407	S	S	.	.	S	Bend	trans	-68.7	-10	176.7	52.1	0	0	0	0	114.6
314	H	73.4	Confident	72.9	Confident	118 Å²	118	81.9 Å²	81.9	55%	0.546	42%	0.423	S	S	.	.	S	Bend	trans	-132.1	127.9	-179	-65.7	-72	0	0	0	112.1	F312 G316 N317 F318	F312-H314 PolarHBondContact O-N 3.19Å; H314-G316 PolarHBondContact O-N 3.37Å; H314-G316 VanDerWaalsContact O-N 3.14Å; H314-N317 HydrophobicContact CB-CB 4.42Å; H314-N317 PolarHBondContact O-N 3.42Å; H314-F318 PolarHBondContact O-N 3.14Å
315	T	75.8	Confident	72.6	Confident	83 Å²	83	79.2 Å²	79.2	51%	0.509	41%	0.412	S	S	.	.	H	α-helix	trans	-46.6	-39.9	173	50.3	0	0	0	0	113.9	H303 F318 K319	H303-T315 WeakPolarHBondContact NE2-CG2 3.29Å; T315-F318 PolarHBondContact O-N 3.32Å; T315-K319 WeakPolarHBondContact O-CB 3.2Å; T315-K319 WeakPolarHBondContact O-CG 3.39Å; T315-K319 PolarHBondContact O-N 3.28Å
316	G	70.9	Confident	72.1	Confident	46 Å²	46	82.7 Å²	82.7	47%	0.474	43%	0.434	S	S	.	.	H	α-helix	trans	-66.9	-39.5	178.4	0	0	0	0	0	113.4	H314 R320	H314-G316 PolarHBondContact O-N 3.37Å; H314-G316 VanDerWaalsContact O-N 3.14Å; G316-R320 WeakPolarHBondContact O-CB 3.3Å; G316-R320 PolarHBondContact O-N 3.48Å
317	N	72.6	Confident	71.6	Confident	54 Å²	54	76.1 Å²	76.1	29%	0.289	42%	0.415	S	S	.	.	H	α-helix	trans	-68.8	-40.5	175.4	-72.8	-25.4	0	0	0	111.1	F312 H314 R320 H321	F312-N317 HydrophobicContact CB-CB 4.38Å; F312-N317 HydrophobicContact CD1-CB 3.85Å; F312-N317 HydrophobicContact CG-CB 4.45Å; H314-N317 HydrophobicContact CB-CB 4.42Å; H314-N317 PolarHBondContact O-N 3.42Å; N317-R320 WeakPolarHBondContact O-CB 3.49Å; N317-R320 PolarHBondContact O-N 3.26Å; N317-R320 PolarHBondContact OD1-NH2 3.27Å; N317-H321 WeakPolarHBondContact O-CB 3.49Å; N317-H321 PolarHBondContact O-N 3.01Å
318	F	75.1	Confident	71.6	Confident	39 Å²	39	76 Å²	76	17%	0.171	41%	0.411	C	S	.	.	H	α-helix	trans	-61.1	-50.9	174.8	-177	-125.8	0	0	0	112.7	H303 K304 C305 F312 H314 T315 R320 H321 I322	H303-F318 HydrophobicContact CB-CB 3.73Å; H303-F318 HydrophobicContact CB-CD1 3.53Å; H303-F318 HydrophobicContact CB-CD2 3.68Å; H303-F318 HydrophobicContact CB-CE1 3.92Å; H303-F318 HydrophobicContact CB-CE2 4.08Å; H303-F318 HydrophobicContact CB-CG 3.37Å; H303-F318 HydrophobicContact CB-CZ 4.17Å; H303-F318 AromaticContact CG-CD1 3.84Å; H303-F318 AromaticContact ND1-CD1 3.98Å; K304-F318 WeakPolarHBondContact O-CE2 3.38Å; K304-F318 WeakPolarHBondContact O-CZ 3.2Å; C305-F318 HydrophobicContact CB-CE2 4.09Å; F312-F318 HydrophobicContact CB-CB 4.06Å; F312-F318 HydrophobicContact CD2-CB 4.46Å; F312-F318 AromaticContact CD2-CD2 3.91Å; F312-F318 HydrophobicContact CD2-CD2 3.91Å; F312-F318 HydrophobicContact CG-CB 4.4Å; H314-F318 PolarHBondContact O-N 3.14Å; T315-F318 PolarHBondContact O-N 3.32Å; F318-R320 PolarHBondContact O-N 3.4Å; F318-H321 WeakPolarHBondContact O-CB 3.41Å; F318-H321 PolarHBondContact O-N 3.34Å; F318-I322 HydrophobicContact CD1-CD1 3.85Å; F318-I322 HydrophobicContact CD2-CD1 4.23Å; F318-I322 HydrophobicContact CD2-CG1 4.47Å; F318-I322 HydrophobicContact CE1-CD1 3.56Å; F318-I322 HydrophobicContact CE2-CD1 3.94Å; F318-I322 HydrophobicContact CE2-CG1 4.22Å; F318-I322 HydrophobicContact CG-CD1 4.19Å; F318-I322 HydrophobicContact CZ-CD1 3.63Å; F318-I322 HydrophobicContact CZ-CG1 4.34Å; F318-I322 PolarHBondContact O-N 3.38Å
319	K	71.2	Confident	71.4	Confident	141 Å²	141	79.3 Å²	79.3	61%	0.613	42%	0.418	S	S	*	.	H	α-helix	trans	-64.4	-24.7	175.7	-71.1	180	178.6	-174.1	0	113.1	T315 R323	T315-K319 WeakPolarHBondContact O-CB 3.2Å; T315-K319 WeakPolarHBondContact O-CG 3.39Å; T315-K319 PolarHBondContact O-N 3.28Å; K319-R323 WeakPolarHBondContact O-CG 3.39Å; K319-R323 PolarHBondContact O-NE 3.47Å
320	R	69.5	Low	71.3	Confident	103 Å²	103	80.1 Å²	80.1	39%	0.389	41%	0.414	S	S	.	.	H	α-helix	trans	-72.6	-39.7	168.2	166.6	163.9	67	179.5	-3.7	112.5	G316 N317 F318 D342	G316-R320 WeakPolarHBondContact O-CB 3.3Å; G316-R320 PolarHBondContact O-N 3.48Å; N317-R320 WeakPolarHBondContact O-CB 3.49Å; N317-R320 PolarHBondContact O-N 3.26Å; N317-R320 PolarHBondContact OD1-NH2 3.27Å; F318-R320 PolarHBondContact O-N 3.4Å; R320-D342 WeakPolarHBondContact CD-OD1 3.45Å; R320-D342 WeakPolarHBondContact CD-OD2 3.25Å; R320-D342 IonicContact CZ-OD2 2.62Å; R320-D342 IonicContact NE-OD2 3.34Å; R320-D342 IonicContact NH1-OD2 2.64Å; R320-D342 PolarHBondContact NH1-OD2 3.36Å
321	H	74.1	Confident	71.2	Confident	15 Å²	15	78 Å²	78	7%	0.069	41%	0.405	C	S	.	.	H	α-helix	trans	-70.4	-43.8	-179.8	176.4	59.3	0	0	0	113.1	C305 C308 F312 N317 F318 R323 I324 H325	C305-H321 PolarHBondContact SG-NE2 3.35Å; C305-H321 VanDerWaalsContact SG-NE2 3.38Å; C308-H321 PolarHBondContact SG-CE1 3.11Å; C308-H321 PolarHBondContact SG-NE2 3.43Å; F312-H321 HydrophobicContact CD2-CB 4.49Å; F312-H321 HydrophobicContact CE1-CB 4.06Å; F312-H321 HydrophobicContact CE2-CB 3.74Å; F312-H321 AromaticContact CE2-CD2 3.28Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.45Å; F312-H321 AromaticContact CE2-CG 3.47Å; F312-H321 VanDerWaalsContact CE2-CG 3.47Å; F312-H321 HydrophobicContact CZ-CB 3.48Å; F312-H321 VanDerWaalsContact CZ-CB 3.48Å; F312-H321 AromaticContact CZ-CD2 3.6Å; F312-H321 AromaticContact CZ-CG 3.29Å; F312-H321 AromaticContact CZ-ND1 3.81Å; N317-H321 WeakPolarHBondContact O-CB 3.49Å; N317-H321 PolarHBondContact O-N 3.01Å; F318-H321 WeakPolarHBondContact O-CB 3.41Å; F318-H321 PolarHBondContact O-N 3.34Å; H321-R323 PolarHBondContact O-N 3.09Å; H321-I324 VanDerWaalsContact O-CB 3.22Å; H321-I324 WeakPolarHBondContact O-CB 3.33Å; H321-I324 WeakPolarHBondContact O-CG1 3.29Å; H321-I324 PolarHBondContact O-N 3.07Å; H321-H325 AromaticContact CE1-CE1 3.95Å; H321-H325 AromaticContact CE1-NE2 3.52Å; H321-H325 AromaticContact NE2-NE2 3.2Å; H321-H325 PolarHBondContact NE2-NE2 2.66Å
322	I	73.1	Confident	70.6	Confident	49 Å²	49	75.6 Å²	75.6	25%	0.251	40%	0.401	S	S	.	.	H	α-helix	trans	-56	-35.1	177.1	-68.4	161.6	0	0	0	111.9	F318 I324 H325 T326	F318-I322 HydrophobicContact CD1-CD1 3.85Å; F318-I322 HydrophobicContact CD2-CD1 4.23Å; F318-I322 HydrophobicContact CD2-CG1 4.47Å; F318-I322 HydrophobicContact CE1-CD1 3.56Å; F318-I322 HydrophobicContact CE2-CD1 3.94Å; F318-I322 HydrophobicContact CE2-CG1 4.22Å; F318-I322 HydrophobicContact CG-CD1 4.19Å; F318-I322 HydrophobicContact CZ-CD1 3.63Å; F318-I322 HydrophobicContact CZ-CG1 4.34Å; F318-I322 PolarHBondContact O-N 3.38Å; I322-I324 PolarHBondContact O-N 3.41Å; I322-H325 PolarHBondContact O-N 3.41Å; I322-T326 HydrophobicContact CG2-CG2 3.9Å; I322-T326 PolarHBondContact O-N 3.01Å
323	R	74.2	Confident	70.1	Confident	44 Å²	44	73.5 Å²	73.5	17%	0.166	39%	0.392	C	S	.	.	H	α-helix	trans	-69.9	0.8	177.4	-66.4	179.8	-65.4	132.2	11	114.5	K319 H321 T326 E328 S341 D342	K319-R323 WeakPolarHBondContact O-CG 3.39Å; K319-R323 PolarHBondContact O-NE 3.47Å; H321-R323 PolarHBondContact O-N 3.09Å; R323-T326 WeakPolarHBondContact CA-OG1 3.42Å; R323-E328 HydrophobicContact CG-CB 4.31Å; R323-S341 PolarHBondContact NH1-O 3.21Å; R323-S341 PolarHBondContact NH2-O 3.44Å; R323-S341 VanDerWaalsContact NH2-O 3.09Å; R323-D342 IonicContact NH2-OD1 3.09Å
324	I	65.9	Low	69.6	Low	110 Å²	110	81.1 Å²	81.1	56%	0.564	41%	0.412	S	S	*	.	H	α-helix	trans	-81.9	-40.1	164.3	-56.6	176.1	0	0	0	109.9	H321 I322	H321-I324 VanDerWaalsContact O-CB 3.22Å; H321-I324 WeakPolarHBondContact O-CB 3.33Å; H321-I324 WeakPolarHBondContact O-CG1 3.29Å; H321-I324 PolarHBondContact O-N 3.07Å; I322-I324 PolarHBondContact O-N 3.41Å
325	H	65.7	Low	69	Low	74 Å²	74	82 Å²	82	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-81.1	-40.9	-178.3	-52.4	-46.7	0	0	0	112.4	C305 D307 H321 I322 G327	C305-H325 VanDerWaalsContact SG-CD2 3.53Å; C305-H325 PolarHBondContact SG-NE2 3.04Å; D307-H325 IonicContact OD2-CD2 2.71Å; D307-H325 PolarHBondContact OD2-CD2 2.9Å; D307-H325 VanDerWaalsContact OD2-CD2 3.24Å; D307-H325 IonicContact OD2-CG 3.59Å; H321-H325 AromaticContact CE1-CE1 3.95Å; H321-H325 AromaticContact CE1-NE2 3.52Å; H321-H325 AromaticContact NE2-NE2 3.2Å; H321-H325 PolarHBondContact NE2-NE2 2.66Å; I322-H325 PolarHBondContact O-N 3.41Å; H325-G327 PolarHBondContact O-N 3.01Å
326	T	65.4	Low	68.2	Low	77 Å²	77	80 Å²	80	47%	0.472	41%	0.405	S	S	.	.	S	Bend	trans	-73.3	-9.1	174.7	65.9	0	0	0	0	113.4	I322 R323 E328	I322-T326 HydrophobicContact CG2-CG2 3.9Å; I322-T326 PolarHBondContact O-N 3.01Å; R323-T326 WeakPolarHBondContact CA-OG1 3.42Å; T326-E328 PolarHBondContact O-N 3.41Å; T326-E328 WeakPolarHBondContact OG1-CG 3.41Å; T326-E328 PolarHBondContact OG1-OE2 2.98Å
327	G	62.3	Low	67.6	Low	44 Å²	44	82.9 Å²	82.9	45%	0.454	42%	0.418	S	S	.	.			trans	68.6	-2.2	-177.6	0	0	0	0	0	115.5	H325 K329	H325-G327 PolarHBondContact O-N 3.01Å; G327-K329 PolarHBondContact O-N 2.65Å
328	E	65.6	Low	67.1	Low	112 Å²	112	86 Å²	86	52%	0.523	43%	0.429	S	S	.	.			trans	-62.8	128.7	-175.6	-70.4	179.8	149.3	0	0	112.7	R323 T326 P330	R323-E328 HydrophobicContact CG-CB 4.31Å; T326-E328 PolarHBondContact O-N 3.41Å; T326-E328 WeakPolarHBondContact OG1-CG 3.41Å; T326-E328 PolarHBondContact OG1-OE2 2.98Å; E328-P330 WeakPolarHBondContact O-CD 3.43Å
329	K	67.3	Low	66.9	Low	124 Å²	124	86.3 Å²	86.3	54%	0.539	44%	0.439	S	S	.	.			trans	-127	74.8	-178.8	-70.3	162.6	-178.2	174.4	0	111	G327 F331 A339 F340	G327-K329 PolarHBondContact O-N 2.65Å; K329-F331 PolarHBondContact O-N 3.42Å; K329-F331 VanDerWaalsContact O-N 3.13Å; K329-A339 HydrophobicContact CB-CB 3.55Å; K329-A339 HydrophobicContact CD-CB 4.32Å; K329-F340 CarbonylContact C-O 3.23Å; K329-F340 VanDerWaalsContact C-O 3.22Å; K329-F340 VanDerWaalsContact CA-O 3.3Å; K329-F340 WeakPolarHBondContact CA-O 3.46Å
330	P	70.4	Confident	67	Low	76 Å²	76	82 Å²	82	49%	0.494	42%	0.42	S	S	.	.			trans	-68.2	-13	-170.5	-21.4	34.9	0	0	0	115.1	E328	E328-P330 WeakPolarHBondContact O-CD 3.43Å
331	F	71.3	Confident	66.9	Low	76 Å²	76	78.9 Å²	78.9	33%	0.333	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	93.3	-173.5	-57.8	-72	0	0	0	110.3	K329 F340 P343 C346	K329-F331 PolarHBondContact O-N 3.42Å; K329-F331 VanDerWaalsContact O-N 3.13Å; F331-F340 PolarHBondContact N-O 2.85Å; F331-F340 VanDerWaalsContact N-O 3.16Å; F331-F340 PolarHBondContact O-N 3.03Å; F331-P343 HydrophobicContact CD1-CB 3.84Å; F331-P343 HydrophobicContact CD2-CB 4.1Å; F331-P343 HydrophobicContact CD2-CG 4.38Å; F331-P343 HydrophobicContact CE1-CB 3.81Å; F331-P343 HydrophobicContact CE1-CG 4.34Å; F331-P343 HydrophobicContact CE2-CB 4.08Å; F331-P343 VanDerWaalsContact CE2-CD 3.5Å; F331-P343 HydrophobicContact CE2-CG 3.98Å; F331-P343 HydrophobicContact CG-CB 3.98Å; F331-P343 HydrophobicContact CZ-CB 3.93Å; F331-P343 HydrophobicContact CZ-CG 3.96Å; F331-C346 HydrophobicContact CB-CB 3.85Å
332	S	63.7	Low	67	Low	75 Å²	75	79.3 Å²	79.3	52%	0.524	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.9	176	50.5	0	0	0	0	112	R334	S332-R334 PolarHBondContact O-N 3.26Å
333	C	69.4	Low	67	Low	1 Å²	1	79.5 Å²	79.5	1%	0.007	42%	0.422	C	S	.	.			trans	-70.7	123.9	172.9	177.8	0	0	0	0	110	E335 S337 K338 F340 E350 H353	C333-E335 PolarHBondContact O-N 3.19Å; C333-S337 WeakPolarHBondContact O-CA 3.43Å; C333-S337 PolarHBondContact O-N 3.18Å; C333-K338 PolarHBondContact N-O 3.39Å; C333-F340 HydrophobicContact CB-CE2 4.4Å; C333-E350 HydrophobicContact CB-CG 4.4Å; C333-H353 VanDerWaalsContact SG-CD2 3.57Å
334	R	65.9	Low	66.9	Low	242 Å²	242	80.5 Å²	80.5	91%	0.913	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.3	-174.4	-66.5	-178	174.9	-172	-3.3	114.7	S332	S332-R334 PolarHBondContact O-N 3.26Å
335	E	59.6	Low	67.1	Low	136 Å²	136	77.2 Å²	77.2	64%	0.636	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-12.7	-171.8	-62.1	177.9	146.5	0	0	113.7	C333 H353	C333-E335 PolarHBondContact O-N 3.19Å; E335-H353 WeakPolarHBondContact OE2-CB 3.5Å; E335-H353 IonicContact OE2-CD2 3.56Å; E335-H353 PolarHBondContact OE2-CD2 2.76Å; E335-H353 IonicContact OE2-CG 2.72Å
336	C	59.1	Low	67.4	Low	43 Å²	43	74 Å²	74	29%	0.291	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.7	9.7	177.4	74	0	0	0	0	115.3	K338 H349 H353	C336-K338 PolarHBondContact O-N 3.08Å; C336-H349 PolarHBondContact SG-NE2 3.34Å; C336-H353 WeakPolarHBondContact CB-NE2 3.29Å; C336-H353 PolarHBondContact SG-NE2 2.78Å
337	S	58.5	Low	67.7	Low	106 Å²	106	77.1 Å²	77.1	74%	0.741	42%	0.421	S	S	*	.			trans	57.7	12.3	178.8	-53.6	0	0	0	0	115.9	C333 A339	C333-S337 WeakPolarHBondContact O-CA 3.43Å; C333-S337 PolarHBondContact O-N 3.18Å; S337-A339 PolarHBondContact O-N 2.95Å
338	K	62.2	Low	68	Low	120 Å²	120	77 Å²	77	52%	0.522	42%	0.416	S	S	.	.			trans	-70.8	123.8	174.9	-73.4	-178.4	-179.6	-179.7	0	110.4	C333 C336 F340	C333-K338 PolarHBondContact N-O 3.39Å; C336-K338 PolarHBondContact O-N 3.08Å; K338-F340 HydrophobicContact CB-CE2 3.76Å; K338-F340 HydrophobicContact CB-CZ 4.09Å; K338-F340 WeakPolarHBondContact O-CD2 3.42Å; K338-F340 VanDerWaalsContact O-CE2 3.28Å; K338-F340 WeakPolarHBondContact O-CE2 3.45Å
339	A	70.3	Confident	68.3	Low	45 Å²	45	73 Å²	73	37%	0.372	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.5	-179.8	0	0	0	0	0	111.6	K329 S337	K329-A339 HydrophobicContact CB-CB 3.55Å; K329-A339 HydrophobicContact CD-CB 4.32Å; S337-A339 PolarHBondContact O-N 2.95Å
340	F	73.2	Confident	68.4	Low	49 Å²	49	70.6 Å²	70.6	22%	0.215	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.4	-180	-62.6	-91.6	0	0	0	110.3	K329 F331 C333 K338 D342 A345 C346 H349	K329-F340 CarbonylContact C-O 3.23Å; K329-F340 VanDerWaalsContact C-O 3.22Å; K329-F340 VanDerWaalsContact CA-O 3.3Å; K329-F340 WeakPolarHBondContact CA-O 3.46Å; F331-F340 PolarHBondContact N-O 2.85Å; F331-F340 VanDerWaalsContact N-O 3.16Å; F331-F340 PolarHBondContact O-N 3.03Å; C333-F340 HydrophobicContact CB-CE2 4.4Å; K338-F340 HydrophobicContact CB-CE2 3.76Å; K338-F340 HydrophobicContact CB-CZ 4.09Å; K338-F340 WeakPolarHBondContact O-CD2 3.42Å; K338-F340 VanDerWaalsContact O-CE2 3.28Å; K338-F340 WeakPolarHBondContact O-CE2 3.45Å; F340-D342 PolarHBondContact O-N 3.42Å; F340-A345 HydrophobicContact CD1-CB 4.1Å; F340-C346 HydrophobicContact CB-CB 4.22Å; F340-C346 HydrophobicContact CD2-CB 4.01Å; F340-C346 HydrophobicContact CG-CB 4.27Å; F340-H349 HydrophobicContact CE1-CB 4.11Å; F340-H349 HydrophobicContact CE2-CB 3.92Å; F340-H349 AromaticContact CE2-CD2 3.3Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.25Å; F340-H349 AromaticContact CE2-CG 3.77Å; F340-H349 HydrophobicContact CZ-CB 3.55Å; F340-H349 AromaticContact CZ-CD2 3.28Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.45Å; F340-H349 AromaticContact CZ-CG 3.35Å
341	S	68.6	Low	68.3	Low	38 Å²	38	73.4 Å²	73.4	27%	0.266	39%	0.392	S	S	.	.	S	Bend	trans	-70.5	-9.8	168.5	51	0	0	0	0	112.2	R323	R323-S341 PolarHBondContact NH1-O 3.21Å; R323-S341 PolarHBondContact NH2-O 3.44Å; R323-S341 VanDerWaalsContact NH2-O 3.09Å
342	D	75.5	Confident	67.9	Low	24 Å²	24	71.6 Å²	71.6	13%	0.128	39%	0.387	C	S	.	.			trans	-140.3	136.3	-172.7	-138.8	35	0	0	0	114.7	R320 R323 F340 A344 A345 C346	R320-D342 WeakPolarHBondContact CD-OD1 3.45Å; R320-D342 WeakPolarHBondContact CD-OD2 3.25Å; R320-D342 IonicContact CZ-OD2 2.62Å; R320-D342 IonicContact NE-OD2 3.34Å; R320-D342 IonicContact NH1-OD2 2.64Å; R320-D342 PolarHBondContact NH1-OD2 3.36Å; R323-D342 IonicContact NH2-OD1 3.09Å; F340-D342 PolarHBondContact O-N 3.42Å; D342-A344 PolarHBondContact O-N 3.11Å; D342-A345 HydrophobicContact CB-CB 4.07Å; D342-A345 PolarHBondContact O-N 2.79Å; D342-C346 PolarHBondContact O-N 3.09Å
343	P	72.1	Confident	67.7	Low	54 Å²	54	71.8 Å²	71.8	35%	0.351	38%	0.38	S	S	.	.	H	α-helix	trans	-74.8	-28.4	-174.2	28.8	-30.5	0	0	0	112	F331 C346 K347	F331-P343 HydrophobicContact CD1-CB 3.84Å; F331-P343 HydrophobicContact CD2-CB 4.1Å; F331-P343 HydrophobicContact CD2-CG 4.38Å; F331-P343 HydrophobicContact CE1-CB 3.81Å; F331-P343 HydrophobicContact CE1-CG 4.34Å; F331-P343 HydrophobicContact CE2-CB 4.08Å; F331-P343 VanDerWaalsContact CE2-CD 3.5Å; F331-P343 HydrophobicContact CE2-CG 3.98Å; F331-P343 HydrophobicContact CG-CB 3.98Å; F331-P343 HydrophobicContact CZ-CB 3.93Å; F331-P343 HydrophobicContact CZ-CG 3.96Å; P343-C346 PolarHBondContact O-N 3.13Å; P343-K347 WeakPolarHBondContact O-CB 3.48Å; P343-K347 WeakPolarHBondContact O-CG 3.4Å; P343-K347 PolarHBondContact O-N 3.05Å
344	A	72.5	Confident	67.4	Low	65 Å²	65	74.1 Å²	74.1	54%	0.537	40%	0.397	S	S	.	.	H	α-helix	trans	-66	-40.1	171.4	0	0	0	0	0	111.3	D342 A348	D342-A344 PolarHBondContact O-N 3.11Å; A344-A348 VanDerWaalsContact O-CB 3.3Å; A344-A348 WeakPolarHBondContact O-CB 3.36Å; A344-A348 PolarHBondContact O-N 3.22Å
345	A	70.9	Confident	67	Low	41 Å²	41	67.9 Å²	67.9	34%	0.339	39%	0.387	S	S	.	.	H	α-helix	trans	-68	-40.7	174.7	0	0	0	0	0	112	F340 D342 A348 H349	F340-A345 HydrophobicContact CD1-CB 4.1Å; D342-A345 HydrophobicContact CB-CB 4.07Å; D342-A345 PolarHBondContact O-N 2.79Å; A345-A348 PolarHBondContact O-N 3.11Å; A345-H349 WeakPolarHBondContact O-CB 3.28Å; A345-H349 PolarHBondContact O-N 3.45Å
346	C	72.3	Confident	66.8	Low	6 Å²	6	67 Å²	67	4%	0.041	39%	0.386	C	S	.	.	H	α-helix	trans	-60.8	-49.4	174	-163	0	0	0	0	111.4	F331 F340 D342 P343 A348 H349 E350	F331-C346 HydrophobicContact CB-CB 3.85Å; F340-C346 HydrophobicContact CB-CB 4.22Å; F340-C346 HydrophobicContact CD2-CB 4.01Å; F340-C346 HydrophobicContact CG-CB 4.27Å; D342-C346 PolarHBondContact O-N 3.09Å; P343-C346 PolarHBondContact O-N 3.13Å; C346-A348 VanDerWaalsContact C-N 3.31Å; C346-A348 PolarHBondContact O-N 3.18Å; C346-H349 CarbonylContact O-C 3.54Å; C346-H349 WeakPolarHBondContact O-CA 3.25Å; C346-H349 WeakPolarHBondContact O-CB 3.37Å; C346-H349 PolarHBondContact O-N 3.16Å; C346-E350 WeakPolarHBondContact O-CG 3.49Å; C346-E350 PolarHBondContact O-N 2.84Å; C346-E350 PolarHBondContact SG-OE1 3.13Å; C346-E350 VanDerWaalsContact SG-OE1 3.33Å
347	K	70.5	Confident	67	Low	143 Å²	143	70.2 Å²	70.2	62%	0.622	40%	0.395	S	S	*	.	H	α-helix	trans	-63.4	-32.9	176.1	-73.1	-178.3	177.3	-174.6	0	113.6	P343 H349 E350 K351	P343-K347 WeakPolarHBondContact O-CB 3.48Å; P343-K347 WeakPolarHBondContact O-CG 3.4Å; P343-K347 PolarHBondContact O-N 3.05Å; K347-H349 VanDerWaalsContact C-N 3.35Å; K347-E350 WeakPolarHBondContact CA-OE2 3.31Å; K347-K351 WeakPolarHBondContact O-CG 3.49Å; K347-K351 PolarHBondContact O-N 2.86Å
348	A	68.4	Low	67.5	Low	42 Å²	42	69.1 Å²	69.1	35%	0.347	39%	0.386	S	S	.	.	H	α-helix	trans	-71	-31.6	172.4	0	0	0	0	0	112.2	A344 A345 C346	A344-A348 VanDerWaalsContact O-CB 3.3Å; A344-A348 WeakPolarHBondContact O-CB 3.36Å; A344-A348 PolarHBondContact O-N 3.22Å; A345-A348 PolarHBondContact O-N 3.11Å; C346-A348 VanDerWaalsContact C-N 3.31Å; C346-A348 PolarHBondContact O-N 3.18Å
349	H	72.6	Confident	68	Low	27 Å²	27	67.3 Å²	67.3	13%	0.125	38%	0.376	C	S	.	.	H	α-helix	trans	-76	-38.6	175	-179.6	49.9	0	0	0	113.3	C336 F340 A345 C346 K347 K351 T352 H353	C336-H349 PolarHBondContact SG-NE2 3.34Å; F340-H349 HydrophobicContact CE1-CB 4.11Å; F340-H349 HydrophobicContact CE2-CB 3.92Å; F340-H349 AromaticContact CE2-CD2 3.3Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.25Å; F340-H349 AromaticContact CE2-CG 3.77Å; F340-H349 HydrophobicContact CZ-CB 3.55Å; F340-H349 AromaticContact CZ-CD2 3.28Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.45Å; F340-H349 AromaticContact CZ-CG 3.35Å; A345-H349 WeakPolarHBondContact O-CB 3.28Å; A345-H349 PolarHBondContact O-N 3.45Å; C346-H349 CarbonylContact O-C 3.54Å; C346-H349 WeakPolarHBondContact O-CA 3.25Å; C346-H349 WeakPolarHBondContact O-CB 3.37Å; C346-H349 PolarHBondContact O-N 3.16Å; K347-H349 VanDerWaalsContact C-N 3.35Å; H349-K351 PolarHBondContact O-N 3.27Å; H349-T352 PolarHBondContact CE1-OG1 2.99Å; H349-T352 PolarHBondContact ND1-OG1 3.21Å; H349-T352 VanDerWaalsContact ND1-OG1 3.08Å; H349-T352 WeakPolarHBondContact O-CA 3.4Å; H349-T352 VanDerWaalsContact O-CB 3.26Å; H349-T352 WeakPolarHBondContact O-CB 3.23Å; H349-T352 PolarHBondContact O-N 3.43Å; H349-T352 PolarHBondContact O-OG1 3.32Å; H349-H353 AromaticContact CE1-NE2 3.86Å; H349-H353 AromaticContact NE2-NE2 3.69Å
350	E	69.6	Low	68.1	Low	73 Å²	73	66.9 Å²	66.9	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-56.3	-40.3	174.8	-74.9	158.8	179.6	0	0	110.9	C333 C346 K347 T352 H353	C333-E350 HydrophobicContact CB-CG 4.4Å; C346-E350 WeakPolarHBondContact O-CG 3.49Å; C346-E350 PolarHBondContact O-N 2.84Å; C346-E350 PolarHBondContact SG-OE1 3.13Å; C346-E350 VanDerWaalsContact SG-OE1 3.33Å; K347-E350 WeakPolarHBondContact CA-OE2 3.31Å; E350-T352 PolarHBondContact O-N 3.16Å; E350-H353 PolarHBondContact O-N 3.3Å
351	K	69.3	Low	68.3	Low	135 Å²	135	64.7 Å²	64.7	59%	0.587	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.4	171	-67.9	177.6	-178.8	-171.6	0	114.7	K347 H349	K347-K351 WeakPolarHBondContact O-CG 3.49Å; K347-K351 PolarHBondContact O-N 2.86Å; H349-K351 PolarHBondContact O-N 3.27Å
352	T	60.9	Low	68.4	Low	38 Å²	38	70.1 Å²	70.1	23%	0.233	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.6	175.9	74	0	0	0	0	113.8	H349 E350 R369 L370	H349-T352 PolarHBondContact CE1-OG1 2.99Å; H349-T352 PolarHBondContact ND1-OG1 3.21Å; H349-T352 VanDerWaalsContact ND1-OG1 3.08Å; H349-T352 WeakPolarHBondContact O-CA 3.4Å; H349-T352 VanDerWaalsContact O-CB 3.26Å; H349-T352 WeakPolarHBondContact O-CB 3.23Å; H349-T352 PolarHBondContact O-N 3.43Å; H349-T352 PolarHBondContact O-OG1 3.32Å; E350-T352 PolarHBondContact O-N 3.16Å; T352-R369 PolarHBondContact O-NH1 2.76Å; T352-L370 HydrophobicContact CG2-CD1 4.21Å
353	H	60.4	Low	68	Low	79 Å²	79	74 Å²	74	37%	0.366	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-26.6	175.4	-65.6	-53.8	0	0	0	113.2	C333 E335 C336 H349 E350	C333-H353 VanDerWaalsContact SG-CD2 3.57Å; E335-H353 WeakPolarHBondContact OE2-CB 3.5Å; E335-H353 IonicContact OE2-CD2 3.56Å; E335-H353 PolarHBondContact OE2-CD2 2.76Å; E335-H353 IonicContact OE2-CG 2.72Å; C336-H353 WeakPolarHBondContact CB-NE2 3.29Å; C336-H353 PolarHBondContact SG-NE2 2.78Å; H349-H353 AromaticContact CE1-NE2 3.86Å; H349-H353 AromaticContact NE2-NE2 3.69Å; E350-H353 PolarHBondContact O-N 3.3Å
354	S	62.8	Low	67.8	Low	51 Å²	51	73.8 Å²	73.8	36%	0.357	41%	0.405	S	S	.	.			trans	-55	127.9	171.7	-173.3	0	0	0	0	110.4	L356	S354-L356 PolarHBondContact O-N 2.86Å
355	P	57.7	Low	67.7	Low	110 Å²	110	73.6 Å²	73.6	71%	0.714	41%	0.41	S	S	*	.	S	Bend	trans	-71.4	-21.5	177.9	29.5	-34.7	0	0	0	111.7
356	L	55.1	Low	67.5	Low	119 Å²	119	76.6 Å²	76.6	62%	0.623	42%	0.415	S	S	*	.			trans	-65.6	147.7	178.3	-57	179.7	0	0	0	111	S354 P358	S354-L356 PolarHBondContact O-N 2.86Å; L356-P358 HydrophobicContact CB-CG 4.46Å
357	K	64.7	Low	67.6	Low	110 Å²	110	78.4 Å²	78.4	48%	0.478	43%	0.428	S	S	.	.			trans	-122	79	173.7	-72.5	168.1	146.3	-142.9	0	108	Y359 S367 Y368 R369	K357-Y359 PolarHBondContact O-N 3.04Å; K357-Y359 VanDerWaalsContact O-N 3.11Å; K357-S367 WeakPolarHBondContact CD-O 3.37Å; K357-S367 WeakPolarHBondContact CD-OG 3.21Å; K357-S367 VanDerWaalsContact CE-O 3.29Å; K357-S367 WeakPolarHBondContact CE-O 3.47Å; K357-S367 PolarHBondContact NZ-O 2.83Å; K357-Y368 CarbonylContact C-O 3.59Å; K357-Y368 VanDerWaalsContact C-O 3.23Å; K357-Y368 WeakPolarHBondContact CA-O 3.44Å; K357-R369 HydrophobicContact CG-CG 3.99Å
358	P	68.5	Low	67.7	Low	83 Å²	83	74.3 Å²	74.3	54%	0.539	41%	0.409	S	S	.	.			trans	-68.7	-15.4	-165.3	-19.5	33.2	0	0	0	114.1	L356	L356-P358 HydrophobicContact CB-CG 4.46Å
359	Y	72.3	Confident	67.8	Low	81 Å²	81	77.5 Å²	77.5	32%	0.318	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	89.3	-167.6	-53.3	-63.5	0	0	0	109.7	K357 S367 Y368 I371	K357-Y359 PolarHBondContact O-N 3.04Å; K357-Y359 VanDerWaalsContact O-N 3.11Å; Y359-S367 WeakPolarHBondContact O-CA 3.3Å; Y359-Y368 PolarHBondContact N-O 3.2Å; Y359-Y368 PolarHBondContact O-N 3.05Å; Y359-I371 HydrophobicContact CD1-CD1 4.39Å; Y359-I371 HydrophobicContact CD1-CG1 3.54Å; Y359-I371 HydrophobicContact CD2-CG1 4.02Å; Y359-I371 HydrophobicContact CE1-CD1 3.78Å; Y359-I371 HydrophobicContact CE1-CG1 3.34Å; Y359-I371 HydrophobicContact CE2-CG1 3.83Å; Y359-I371 HydrophobicContact CG-CG1 3.87Å; Y359-I371 VanDerWaalsContact CZ-CG1 3.48Å
360	G	72.2	Confident	67.8	Low	37 Å²	37	78.1 Å²	78.1	38%	0.381	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	151.7	174.4	0	0	0	0	0	112.7	L374	G360-L374 WeakPolarHBondContact O-CD1 3.3Å; G360-L374 WeakPolarHBondContact O-CD2 3.42Å
361	C	77.1	Confident	68.1	Low	3 Å²	3	78.7 Å²	78.7	2%	0.02	42%	0.42	C	S	.	.			trans	-102	113.8	168.9	-165.8	0	0	0	0	108.8	E363 C364 G365 K366 L374 H377 H381	C361-E363 VanDerWaalsContact C-N 3.28Å; C361-E363 PolarHBondContact O-N 2.88Å; C361-E363 PolarHBondContact SG-OE2 3.49Å; C361-E363 VanDerWaalsContact SG-OE2 3.4Å; C361-C364 PolarHBondContact O-N 3.12Å; C361-G365 WeakPolarHBondContact O-CA 3.28Å; C361-G365 PolarHBondContact O-N 3.26Å; C361-K366 WeakPolarHBondContact CB-O 3.4Å; C361-K366 PolarHBondContact N-O 2.88Å; C361-L374 HydrophobicContact CB-CD1 3.57Å; C361-H377 PolarHBondContact SG-CD2 3.45Å; C361-H381 VanDerWaalsContact SG-CD2 3.55Å; C361-H381 PolarHBondContact SG-NE2 3.09Å
362	E	72.1	Confident	68.2	Low	152 Å²	152	76 Å²	76	71%	0.71	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-43.4	-179.6	-62.7	90.2	155.8	0	0	111.1	C364 K378	E362-C364 PolarHBondContact O-N 3.39Å; E362-C364 VanDerWaalsContact O-N 3.09Å; E362-K378 IonicContact OE1-NZ 3.56Å; E362-K378 WeakPolarHBondContact OE2-CE 3.45Å; E362-K378 IonicContact OE2-NZ 2.74Å; E362-K378 PolarHBondContact OE2-NZ 3.5Å
363	E	65.9	Low	68.8	Low	105 Å²	105	78 Å²	78	49%	0.491	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.6	-175.5	-60	146.2	116.6	0	0	115.3	C361 H381	C361-E363 VanDerWaalsContact C-N 3.28Å; C361-E363 PolarHBondContact O-N 2.88Å; C361-E363 PolarHBondContact SG-OE2 3.49Å; C361-E363 VanDerWaalsContact SG-OE2 3.4Å; E363-H381 WeakPolarHBondContact OE1-CB 3.39Å; E363-H381 IonicContact OE1-CD2 3.22Å; E363-H381 IonicContact OE2-CD2 3.93Å; E363-H381 PolarHBondContact OE2-CD2 3.04Å
364	C	69.1	Low	69.5	Low	49 Å²	49	75 Å²	75	33%	0.331	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.2	18.3	175.7	74.9	0	0	0	0	116.2	C361 E362 K366 H377 H381	C361-C364 PolarHBondContact O-N 3.12Å; E362-C364 PolarHBondContact O-N 3.39Å; E362-C364 VanDerWaalsContact O-N 3.09Å; C364-K366 PolarHBondContact O-N 3.08Å; C364-K366 VanDerWaalsContact SG-CD 3.58Å; C364-H377 PolarHBondContact SG-NE2 3.35Å; C364-H381 PolarHBondContact SG-CE1 3.47Å; C364-H381 PolarHBondContact SG-NE2 3.45Å; C364-H381 VanDerWaalsContact SG-NE2 3.44Å
365	G	68.4	Low	70	Confident	62 Å²	62	76.5 Å²	76.5	64%	0.639	42%	0.418	S	S	*	.			trans	66.7	-0.9	177	0	0	0	0	0	116.8	C361 S367	C361-G365 WeakPolarHBondContact O-CA 3.28Å; C361-G365 PolarHBondContact O-N 3.26Å; G365-S367 PolarHBondContact O-N 3.31Å
366	K	68.8	Low	70.6	Confident	104 Å²	104	74.6 Å²	74.6	45%	0.452	40%	0.401	S	S	.	.			trans	-74.1	125	-175.4	-70.9	172.2	-167.7	157.2	0	111.1	C361 C364 Y368	C361-K366 WeakPolarHBondContact CB-O 3.4Å; C361-K366 PolarHBondContact N-O 2.88Å; C364-K366 PolarHBondContact O-N 3.08Å; C364-K366 VanDerWaalsContact SG-CD 3.58Å; K366-Y368 HydrophobicContact CB-CE2 3.7Å; K366-Y368 WeakPolarHBondContact O-CD2 3.46Å; K366-Y368 VanDerWaalsContact O-CE2 3.24Å; K366-Y368 WeakPolarHBondContact O-CE2 3.3Å
367	S	72.6	Confident	71.3	Confident	44 Å²	44	69.7 Å²	69.7	31%	0.308	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.6	-175.6	52.9	0	0	0	0	113.6	K357 Y359 G365	K357-S367 WeakPolarHBondContact CD-O 3.37Å; K357-S367 WeakPolarHBondContact CD-OG 3.21Å; K357-S367 VanDerWaalsContact CE-O 3.29Å; K357-S367 WeakPolarHBondContact CE-O 3.47Å; K357-S367 PolarHBondContact NZ-O 2.83Å; Y359-S367 WeakPolarHBondContact O-CA 3.3Å; G365-S367 PolarHBondContact O-N 3.31Å
368	Y	73.9	Confident	71.6	Confident	57 Å²	57	67.5 Å²	67.5	22%	0.224	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.2	-169.2	-64.7	-89.3	0	0	0	112	K357 Y359 K366 L373 L374 H377	K357-Y368 CarbonylContact C-O 3.59Å; K357-Y368 VanDerWaalsContact C-O 3.23Å; K357-Y368 WeakPolarHBondContact CA-O 3.44Å; Y359-Y368 PolarHBondContact N-O 3.2Å; Y359-Y368 PolarHBondContact O-N 3.05Å; K366-Y368 HydrophobicContact CB-CE2 3.7Å; K366-Y368 WeakPolarHBondContact O-CD2 3.46Å; K366-Y368 VanDerWaalsContact O-CE2 3.24Å; K366-Y368 WeakPolarHBondContact O-CE2 3.3Å; Y368-L373 HydrophobicContact CD1-CB 3.85Å; Y368-L373 HydrophobicContact CG-CB 4.33Å; Y368-L374 HydrophobicContact CD2-CB 4.27Å; Y368-L374 HydrophobicContact CD2-CD1 4.02Å; Y368-L374 HydrophobicContact CE2-CD1 4.48Å; Y368-L374 HydrophobicContact CG-CB 4.46Å; Y368-H377 HydrophobicContact CE1-CB 4.29Å; Y368-H377 HydrophobicContact CE2-CB 3.95Å; Y368-H377 AromaticContact CE2-CD2 3.33Å; Y368-H377 WeakPolarHBondContact CE2-CD2 3.39Å; Y368-H377 AromaticContact CE2-CG 3.65Å; Y368-H377 AromaticContact CZ-CD2 3.68Å; Y368-H377 AromaticContact CZ-CG 3.53Å; Y368-H377 PolarHBondContact OH-CD2 3.05Å; Y368-H377 PolarHBondContact OH-ND1 3.28Å
369	R	70.3	Confident	71.7	Confident	109 Å²	109	66.9 Å²	66.9	41%	0.411	36%	0.355	S	S	.	.	S	Bend	trans	-83.5	-19.2	179.5	-65.9	-169	-177.6	158.8	6.4	114.2	T352 K357	T352-R369 PolarHBondContact O-NH1 2.76Å; K357-R369 HydrophobicContact CG-CG 3.99Å
370	L	72.5	Confident	71.4	Confident	39 Å²	39	69 Å²	69	20%	0.204	36%	0.362	C	S	.	.	S	Bend	trans	-133.3	143.5	177.1	-66.2	97.6	0	0	0	110.6	T352 S372 L373 L374	T352-L370 HydrophobicContact CG2-CD1 4.21Å; L370-S372 PolarHBondContact O-N 3.2Å; L370-L373 HydrophobicContact CB-CD1 4.41Å; L370-L373 HydrophobicContact CB-CG 4.4Å; L370-L373 HydrophobicContact CD1-CD1 3.95Å; L370-L373 PolarHBondContact O-N 2.89Å; L370-L374 PolarHBondContact O-N 3.4Å; L370-L374 VanDerWaalsContact O-N 3.13Å
371	I	76.3	Confident	71	Confident	86 Å²	86	70 Å²	70	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-54.2	-41	173.2	-59	170.6	0	0	0	110.7	Y359 L373 L374 N375	Y359-I371 HydrophobicContact CD1-CD1 4.39Å; Y359-I371 HydrophobicContact CD1-CG1 3.54Å; Y359-I371 HydrophobicContact CD2-CG1 4.02Å; Y359-I371 HydrophobicContact CE1-CD1 3.78Å; Y359-I371 HydrophobicContact CE1-CG1 3.34Å; Y359-I371 HydrophobicContact CE2-CG1 3.83Å; Y359-I371 HydrophobicContact CG-CG1 3.87Å; Y359-I371 VanDerWaalsContact CZ-CG1 3.48Å; I371-L373 VanDerWaalsContact C-N 3.26Å; I371-L373 PolarHBondContact O-N 2.87Å; I371-L374 PolarHBondContact O-N 3.21Å; I371-L374 VanDerWaalsContact O-N 3.11Å; I371-N375 WeakPolarHBondContact O-CB 3.42Å; I371-N375 VanDerWaalsContact O-CG 3.3Å; I371-N375 PolarHBondContact O-N 3.16Å; I371-N375 PolarHBondContact O-OD1 3.3Å
372	S	71.5	Confident	70.4	Confident	78 Å²	78	72.9 Å²	72.9	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-34.1	177.7	52.3	0	0	0	0	113.4	L370 L376	L370-S372 PolarHBondContact O-N 3.2Å; S372-L376 VanDerWaalsContact O-CB 3.23Å; S372-L376 WeakPolarHBondContact O-CB 3.43Å; S372-L376 PolarHBondContact O-N 3.25Å; S372-L376 VanDerWaalsContact O-N 3.08Å
373	L	72.1	Confident	69.7	Low	80 Å²	80	68.8 Å²	68.8	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-78.3	-33.1	175.9	-65.9	172.8	0	0	0	112.3	Y368 L370 I371 H377	Y368-L373 HydrophobicContact CD1-CB 3.85Å; Y368-L373 HydrophobicContact CG-CB 4.33Å; L370-L373 HydrophobicContact CB-CD1 4.41Å; L370-L373 HydrophobicContact CB-CG 4.4Å; L370-L373 HydrophobicContact CD1-CD1 3.95Å; L370-L373 PolarHBondContact O-N 2.89Å; I371-L373 VanDerWaalsContact C-N 3.26Å; I371-L373 PolarHBondContact O-N 2.87Å; L373-H377 WeakPolarHBondContact O-CB 3.4Å; L373-H377 PolarHBondContact O-N 3.49Å
374	L	75.1	Confident	69.3	Low	17 Å²	17	68.7 Å²	68.7	9%	0.089	38%	0.375	C	S	.	.	H	α-helix	trans	-64.9	-48.6	170.3	173.4	61.9	0	0	0	110.7	G360 C361 Y368 L370 I371 L376 H377 K378	G360-L374 WeakPolarHBondContact O-CD1 3.3Å; G360-L374 WeakPolarHBondContact O-CD2 3.42Å; C361-L374 HydrophobicContact CB-CD1 3.57Å; Y368-L374 HydrophobicContact CD2-CB 4.27Å; Y368-L374 HydrophobicContact CD2-CD1 4.02Å; Y368-L374 HydrophobicContact CE2-CD1 4.48Å; Y368-L374 HydrophobicContact CG-CB 4.46Å; L370-L374 PolarHBondContact O-N 3.4Å; L370-L374 VanDerWaalsContact O-N 3.13Å; I371-L374 PolarHBondContact O-N 3.21Å; I371-L374 VanDerWaalsContact O-N 3.11Å; L374-L376 VanDerWaalsContact C-N 3.33Å; L374-L376 PolarHBondContact O-N 2.92Å; L374-H377 CarbonylContact O-C 3.55Å; L374-H377 WeakPolarHBondContact O-CA 3.42Å; L374-H377 WeakPolarHBondContact O-CB 3.25Å; L374-H377 PolarHBondContact O-N 3.41Å; L374-K378 HydrophobicContact CD1-CG 4.11Å; L374-K378 HydrophobicContact CG-CG 4.4Å; L374-K378 PolarHBondContact O-N 3.08Å
375	N	73.8	Confident	68.6	Low	81 Å²	81	67.2 Å²	67.2	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-38.6	-177.9	-66.6	11.3	0	0	0	111.3	I371 H377 K378 K379	I371-N375 WeakPolarHBondContact O-CB 3.42Å; I371-N375 VanDerWaalsContact O-CG 3.3Å; I371-N375 PolarHBondContact O-N 3.16Å; I371-N375 PolarHBondContact O-OD1 3.3Å; N375-H377 PolarHBondContact O-N 3.03Å; N375-K378 PolarHBondContact O-N 2.94Å; N375-K379 WeakPolarHBondContact O-CG 3.46Å; N375-K379 PolarHBondContact O-N 3.48Å; N375-K379 VanDerWaalsContact O-N 3.12Å
376	L	70	Confident	68.3	Low	71 Å²	71	73.1 Å²	73.1	37%	0.372	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-22.8	171.9	-163.5	66.6	0	0	0	112.9	S372 L374 T397	S372-L376 VanDerWaalsContact O-CB 3.23Å; S372-L376 WeakPolarHBondContact O-CB 3.43Å; S372-L376 PolarHBondContact O-N 3.25Å; S372-L376 VanDerWaalsContact O-N 3.08Å; L374-L376 VanDerWaalsContact C-N 3.33Å; L374-L376 PolarHBondContact O-N 2.92Å; L376-T397 HydrophobicContact CD1-CG2 4.18Å; L376-T397 HydrophobicContact CD2-CG2 4.24Å; L376-T397 HydrophobicContact CG-CG2 3.81Å
377	H	70.9	Confident	68.2	Low	15 Å²	15	71.7 Å²	71.7	7%	0.069	36%	0.361	C	S	.	.	H	α-helix	trans	-89.3	-38.4	175.5	171.1	62.7	0	0	0	113.1	C361 C364 Y368 L373 L374 N375 K379 R380 H381	C361-H377 PolarHBondContact SG-CD2 3.45Å; C364-H377 PolarHBondContact SG-NE2 3.35Å; Y368-H377 HydrophobicContact CE1-CB 4.29Å; Y368-H377 HydrophobicContact CE2-CB 3.95Å; Y368-H377 AromaticContact CE2-CD2 3.33Å; Y368-H377 WeakPolarHBondContact CE2-CD2 3.39Å; Y368-H377 AromaticContact CE2-CG 3.65Å; Y368-H377 AromaticContact CZ-CD2 3.68Å; Y368-H377 AromaticContact CZ-CG 3.53Å; Y368-H377 PolarHBondContact OH-CD2 3.05Å; Y368-H377 PolarHBondContact OH-ND1 3.28Å; L373-H377 WeakPolarHBondContact O-CB 3.4Å; L373-H377 PolarHBondContact O-N 3.49Å; L374-H377 CarbonylContact O-C 3.55Å; L374-H377 WeakPolarHBondContact O-CA 3.42Å; L374-H377 WeakPolarHBondContact O-CB 3.25Å; L374-H377 PolarHBondContact O-N 3.41Å; N375-H377 PolarHBondContact O-N 3.03Å; H377-K379 VanDerWaalsContact C-N 3.29Å; H377-K379 PolarHBondContact O-N 2.68Å; H377-R380 WeakPolarHBondContact O-CB 3.44Å; H377-R380 PolarHBondContact O-N 3.06Å; H377-H381 AromaticContact CD2-NE2 3.83Å; H377-H381 AromaticContact CE1-CE1 3.64Å; H377-H381 AromaticContact CE1-NE2 3.4Å; H377-H381 PolarHBondContact CE1-NE2 2.84Å; H377-H381 AromaticContact NE2-CE1 3.74Å; H377-H381 AromaticContact NE2-NE2 3.11Å; H377-H381 PolarHBondContact NE2-NE2 3.28Å; H377-H381 VanDerWaalsContact NE2-NE2 3.11Å
378	K	70.3	Confident	68.3	Low	65 Å²	65	77.6 Å²	77.6	28%	0.283	38%	0.377	S	S	.	.	H	α-helix	trans	-60.1	-38.2	172.4	-76	-161.2	167.5	-165.8	0	111.8	E362 L374 N375 R380 H381 S382	E362-K378 IonicContact OE1-NZ 3.56Å; E362-K378 WeakPolarHBondContact OE2-CE 3.45Å; E362-K378 IonicContact OE2-NZ 2.74Å; E362-K378 PolarHBondContact OE2-NZ 3.5Å; L374-K378 HydrophobicContact CD1-CG 4.11Å; L374-K378 HydrophobicContact CG-CG 4.4Å; L374-K378 PolarHBondContact O-N 3.08Å; N375-K378 PolarHBondContact O-N 2.94Å; K378-R380 PolarHBondContact O-N 2.82Å; K378-H381 PolarHBondContact O-N 3.24Å; K378-S382 PolarHBondContact O-N 3.43Å
379	K	71	Confident	68.6	Low	70 Å²	70	74.9 Å²	74.9	30%	0.304	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	0.3	170.9	-72	-177.1	-178	-99.3	0	115.6	N375 H377 E384 A385	N375-K379 WeakPolarHBondContact O-CG 3.46Å; N375-K379 PolarHBondContact O-N 3.48Å; N375-K379 VanDerWaalsContact O-N 3.12Å; H377-K379 VanDerWaalsContact C-N 3.29Å; H377-K379 PolarHBondContact O-N 2.68Å; K379-E384 HydrophobicContact CG-CB 4.4Å; K379-E384 IonicContact NZ-OE2 3.69Å; K379-E384 PolarHBondContact NZ-OE2 3.06Å; K379-E384 CarbonylContact O-C 3.22Å; K379-A385 PolarHBondContact O-N 2.84Å
380	R	65.6	Low	68.9	Low	125 Å²	125	77.8 Å²	77.8	47%	0.472	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-10.3	171.9	-163.8	-162.9	63.3	98.7	28.4	112.3	H377 K378	H377-R380 WeakPolarHBondContact O-CB 3.44Å; H377-R380 PolarHBondContact O-N 3.06Å; K378-R380 PolarHBondContact O-N 2.82Å
381	H	63.9	Low	69	Low	57 Å²	57	80.9 Å²	80.9	26%	0.264	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-42.2	172.2	-47.7	-62.4	0	0	0	110.3	C361 E363 C364 H377 K378 G383	C361-H381 VanDerWaalsContact SG-CD2 3.55Å; C361-H381 PolarHBondContact SG-NE2 3.09Å; E363-H381 WeakPolarHBondContact OE1-CB 3.39Å; E363-H381 IonicContact OE1-CD2 3.22Å; E363-H381 IonicContact OE2-CD2 3.93Å; E363-H381 PolarHBondContact OE2-CD2 3.04Å; C364-H381 PolarHBondContact SG-CE1 3.47Å; C364-H381 PolarHBondContact SG-NE2 3.45Å; C364-H381 VanDerWaalsContact SG-NE2 3.44Å; H377-H381 AromaticContact CD2-NE2 3.83Å; H377-H381 AromaticContact CE1-CE1 3.64Å; H377-H381 AromaticContact CE1-NE2 3.4Å; H377-H381 PolarHBondContact CE1-NE2 2.84Å; H377-H381 AromaticContact NE2-CE1 3.74Å; H377-H381 AromaticContact NE2-NE2 3.11Å; H377-H381 PolarHBondContact NE2-NE2 3.28Å; H377-H381 VanDerWaalsContact NE2-NE2 3.11Å; K378-H381 PolarHBondContact O-N 3.24Å; H381-G383 PolarHBondContact O-N 3.43Å
382	S	63.8	Low	69.1	Low	65 Å²	65	78.9 Å²	78.9	46%	0.455	40%	0.395	S	S	.	.	S	Bend	trans	-72.4	18.5	-178.8	76	0	0	0	0	115.8	K378 E384	K378-S382 PolarHBondContact O-N 3.43Å; S382-E384 PolarHBondContact O-N 3.47Å
383	G	57.2	Low	69.2	Low	66 Å²	66	76.5 Å²	76.5	68%	0.68	38%	0.382	S	S	*	.	S	Bend	trans	68.5	-25.8	-177.8	0	0	0	0	0	116.6	H381 A385	H381-G383 PolarHBondContact O-N 3.43Å; G383-A385 PolarHBondContact O-N 3.49Å
384	E	58.7	Low	69.2	Low	103 Å²	103	78.1 Å²	78.1	48%	0.481	39%	0.386	S	S	.	.			trans	-67.8	32.6	-175.7	-58.5	-168.1	167.4	0	0	116.2	K379 S382 R386	K379-E384 HydrophobicContact CG-CB 4.4Å; K379-E384 IonicContact NZ-OE2 3.69Å; K379-E384 PolarHBondContact NZ-OE2 3.06Å; K379-E384 CarbonylContact O-C 3.22Å; S382-E384 PolarHBondContact O-N 3.47Å; E384-R386 PolarHBondContact O-N 3.13Å
385	A	53.1	Low	69.2	Low	18 Å²	18	81.6 Å²	81.6	15%	0.149	40%	0.404	C	S	.	.			trans	-74.3	82.5	172.3	0	0	0	0	0	109.7	K379 G383 Y387 L395	K379-A385 PolarHBondContact O-N 2.84Å; G383-A385 PolarHBondContact O-N 3.49Å; A385-Y387 PolarHBondContact O-N 2.79Å; A385-L395 HydrophobicContact CB-CB 3.71Å; A385-L395 HydrophobicContact CB-CD1 3.88Å; A385-L395 HydrophobicContact CB-CD2 4Å; A385-L395 HydrophobicContact CB-CG 4.06Å
386	R	62.1	Low	69.2	Low	186 Å²	186	79.9 Å²	79.9	70%	0.702	39%	0.393	S	S	*	.	S	Bend	trans	-46.9	-9.4	-172.2	-64.1	-174.3	175	-174.2	-5.5	117.4	E384	E384-R386 PolarHBondContact O-N 3.13Å
387	Y	67.6	Low	69.2	Low	73 Å²	73	80 Å²	80	29%	0.286	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	82.6	-176.6	-58.4	-69.6	0	0	0	110.4	A385 F396 S399 L402	A385-Y387 PolarHBondContact O-N 2.79Å; Y387-F396 WeakPolarHBondContact O-CB 3.25Å; Y387-F396 PolarHBondContact O-N 3.41Å; Y387-S399 VanDerWaalsContact CD2-N 3.29Å; Y387-S399 VanDerWaalsContact CE1-CB 3.48Å; Y387-L402 HydrophobicContact CD1-CD2 4.38Å
388	R	74.4	Confident	69.3	Low	168 Å²	168	82.2 Å²	82.2	63%	0.634	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	139.3	169.8	179.5	174.6	178.3	170.6	1.8	109.8	L395 L402	R388-L395 HydrophobicContact CB-CD2 3.81Å; R388-L395 HydrophobicContact CG-CD2 3.94Å; R388-L402 WeakPolarHBondContact O-CD2 3.34Å
389	C	79.7	Confident	69.6	Low	0 Å²	0	81.5 Å²	81.5	0%	0	42%	0.415	C	S	.	.			trans	-82.3	125.7	166	-158.3	0	0	0	0	109.2	D391 G393 K394 F396 L402 H405 H409	C389-D391 PolarHBondContact SG-OD2 2.87Å; C389-D391 VanDerWaalsContact SG-OD2 3.35Å; C389-G393 WeakPolarHBondContact O-CA 3.21Å; C389-G393 PolarHBondContact O-N 3.31Å; C389-K394 PolarHBondContact N-O 3.36Å; C389-F396 HydrophobicContact CB-CE2 4.17Å; C389-L402 HydrophobicContact CB-CD1 3.62Å; C389-H405 VanDerWaalsContact SG-CD2 3.56Å; C389-H409 VanDerWaalsContact SG-CD2 3.54Å; C389-H409 PolarHBondContact SG-NE2 2.79Å; C389-H409 VanDerWaalsContact SG-NE2 3.43Å
390	E	76.9	Confident	69.8	Low	171 Å²	171	80 Å²	80	80%	0.799	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-43.6	-177.1	-65.4	173.1	159	0	0	110.4	C392	E390-C392 PolarHBondContact O-N 3.16Å; E390-C392 VanDerWaalsContact O-N 3.12Å
391	D	75.3	Confident	70.4	Confident	103 Å²	103	76.9 Å²	76.9	55%	0.551	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.7	-176.7	-31.5	-86.8	0	0	0	115.1	C389 H409	C389-D391 PolarHBondContact SG-OD2 2.87Å; C389-D391 VanDerWaalsContact SG-OD2 3.35Å; D391-H409 HydrophobicContact CB-CB 4.27Å; D391-H409 IonicContact OD2-CD2 3.87Å; D391-H409 PolarHBondContact OD2-CD2 3.38Å; D391-H409 IonicContact OD2-CG 3.03Å; D391-H409 IonicContact OD2-NE2 3.71Å
392	C	77.8	Confident	71.2	Confident	44 Å²	44	75 Å²	75	30%	0.297	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.7	11.2	-173.6	77.2	0	0	0	0	115.9	E390 K394 H405 H409	E390-C392 PolarHBondContact O-N 3.16Å; E390-C392 VanDerWaalsContact O-N 3.12Å; C392-K394 PolarHBondContact O-N 3.24Å; C392-K394 VanDerWaalsContact SG-CD 3.6Å; C392-H405 PolarHBondContact SG-NE2 3.16Å; C392-H409 PolarHBondContact SG-NE2 3.43Å
393	G	73.6	Confident	71.9	Confident	28 Å²	28	78.9 Å²	78.9	29%	0.289	41%	0.412	S	S	.	.			trans	67.1	-7.7	178	0	0	0	0	0	116.9	C389 L395	C389-G393 WeakPolarHBondContact O-CA 3.21Å; C389-G393 PolarHBondContact O-N 3.31Å; G393-L395 PolarHBondContact O-N 3.1Å
394	K	73	Confident	72.8	Confident	115 Å²	115	80.4 Å²	80.4	50%	0.5	40%	0.397	S	S	.	.			trans	-64.9	136	-171.5	-72.4	171.4	-165.1	148.3	0	112.3	C389 C392 F396	C389-K394 PolarHBondContact N-O 3.36Å; C392-K394 PolarHBondContact O-N 3.24Å; C392-K394 VanDerWaalsContact SG-CD 3.6Å; K394-F396 HydrophobicContact CB-CE2 3.61Å; K394-F396 HydrophobicContact CB-CZ 3.98Å; K394-F396 WeakPolarHBondContact O-CD2 3.44Å; K394-F396 WeakPolarHBondContact O-CE2 3.37Å
395	L	75	Confident	73.9	Confident	90 Å²	90	76.7 Å²	76.7	47%	0.471	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126	-173.1	-62.6	-177.1	0	0	0	111.4	A385 R388 G393	A385-L395 HydrophobicContact CB-CB 3.71Å; A385-L395 HydrophobicContact CB-CD1 3.88Å; A385-L395 HydrophobicContact CB-CD2 4Å; A385-L395 HydrophobicContact CB-CG 4.06Å; R388-L395 HydrophobicContact CB-CD2 3.81Å; R388-L395 HydrophobicContact CG-CD2 3.94Å; G393-L395 PolarHBondContact O-N 3.1Å
396	F	73.7	Confident	75.1	Confident	44 Å²	44	79 Å²	79	19%	0.193	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.5	-177.2	-65.8	-87.9	0	0	0	112.6	Y387 C389 K394 T398 N401 L402 H405	Y387-F396 WeakPolarHBondContact O-CB 3.25Å; Y387-F396 PolarHBondContact O-N 3.41Å; C389-F396 HydrophobicContact CB-CE2 4.17Å; K394-F396 HydrophobicContact CB-CE2 3.61Å; K394-F396 HydrophobicContact CB-CZ 3.98Å; K394-F396 WeakPolarHBondContact O-CD2 3.44Å; K394-F396 WeakPolarHBondContact O-CE2 3.37Å; F396-T398 VanDerWaalsContact C-N 3.29Å; F396-T398 PolarHBondContact O-N 2.85Å; F396-N401 HydrophobicContact CD1-CB 4.08Å; F396-L402 HydrophobicContact CB-CB 4.08Å; F396-L402 HydrophobicContact CD2-CB 4.16Å; F396-L402 HydrophobicContact CD2-CD1 3.85Å; F396-L402 HydrophobicContact CE2-CD1 4.22Å; F396-L402 HydrophobicContact CG-CB 4.18Å; F396-H405 HydrophobicContact CE1-CB 3.91Å; F396-H405 HydrophobicContact CE2-CB 3.98Å; F396-H405 AromaticContact CE2-CD2 3.29Å; F396-H405 WeakPolarHBondContact CE2-CD2 3.48Å; F396-H405 AromaticContact CE2-CG 3.8Å; F396-H405 HydrophobicContact CZ-CB 3.54Å; F396-H405 AromaticContact CZ-CD2 3.2Å; F396-H405 WeakPolarHBondContact CZ-CD2 3.34Å; F396-H405 AromaticContact CZ-CG 3.31Å; F396-H405 AromaticContact CZ-NE2 3.98Å
397	T	69.1	Low	76	Confident	73 Å²	73	71.6 Å²	71.6	45%	0.448	36%	0.362	S	S	.	.	S	Bend	trans	-82	-3	-178.2	50.9	0	0	0	0	113.8	L376	L376-T397 HydrophobicContact CD1-CG2 4.18Å; L376-T397 HydrophobicContact CD2-CG2 4.24Å; L376-T397 HydrophobicContact CG-CG2 3.81Å
398	T	74.2	Confident	76.4	Confident	63 Å²	63	72.5 Å²	72.5	39%	0.387	38%	0.375	S	S	.	.	S	Bend	trans	-161.7	138.7	-176.3	-44.8	0	0	0	0	110.4	F396 G400 N401 L402	F396-T398 VanDerWaalsContact C-N 3.29Å; F396-T398 PolarHBondContact O-N 2.85Å; T398-G400 VanDerWaalsContact C-N 3.33Å; T398-G400 PolarHBondContact O-N 3.43Å; T398-N401 WeakPolarHBondContact O-CA 3.23Å; T398-N401 WeakPolarHBondContact O-CB 3.36Å; T398-N401 PolarHBondContact O-N 3.25Å; T398-L402 PolarHBondContact O-N 2.89Å; T398-L402 VanDerWaalsContact O-N 3.16Å
399	S	75.9	Confident	76.6	Confident	50 Å²	50	68 Å²	68	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-51.5	-46.3	177.4	51.6	0	0	0	0	113.3	Y387 N401 L402 K403	Y387-S399 VanDerWaalsContact CD2-N 3.29Å; Y387-S399 VanDerWaalsContact CE1-CB 3.48Å; S399-N401 PolarHBondContact O-N 3.18Å; S399-L402 PolarHBondContact O-N 3.32Å; S399-L402 VanDerWaalsContact O-N 3.11Å; S399-K403 PolarHBondContact O-N 3.12Å
400	G	76.1	Confident	76.4	Confident	38 Å²	38	71.1 Å²	71.1	39%	0.392	38%	0.382	S	S	.	.	H	α-helix	trans	-63.1	-23	177.1	0	0	0	0	0	114.5	T398 R404	T398-G400 VanDerWaalsContact C-N 3.33Å; T398-G400 PolarHBondContact O-N 3.43Å; G400-R404 WeakPolarHBondContact O-CB 3.44Å; G400-R404 PolarHBondContact O-N 2.97Å
401	N	76.9	Confident	76.2	Confident	59 Å²	59	65 Å²	65	32%	0.316	37%	0.366	S	S	.	.	H	α-helix	trans	-81.6	-35.8	173	-67.3	-25.2	0	0	0	111.7	F396 T398 S399 R404 H405	F396-N401 HydrophobicContact CD1-CB 4.08Å; T398-N401 WeakPolarHBondContact O-CA 3.23Å; T398-N401 WeakPolarHBondContact O-CB 3.36Å; T398-N401 PolarHBondContact O-N 3.25Å; S399-N401 PolarHBondContact O-N 3.18Å; N401-R404 PolarHBondContact OD1-NH1 2.84Å; N401-H405 WeakPolarHBondContact O-CB 3.35Å; N401-H405 PolarHBondContact O-N 2.87Å
402	L	80.9	Confident	76.2	Confident	17 Å²	17	65.7 Å²	65.7	9%	0.089	37%	0.366	C	S	.	.	H	α-helix	trans	-64.6	-49	170.3	172.4	60.8	0	0	0	111.3	Y387 R388 C389 F396 T398 S399 R404 H405 Q406	Y387-L402 HydrophobicContact CD1-CD2 4.38Å; R388-L402 WeakPolarHBondContact O-CD2 3.34Å; C389-L402 HydrophobicContact CB-CD1 3.62Å; F396-L402 HydrophobicContact CB-CB 4.08Å; F396-L402 HydrophobicContact CD2-CB 4.16Å; F396-L402 HydrophobicContact CD2-CD1 3.85Å; F396-L402 HydrophobicContact CE2-CD1 4.22Å; F396-L402 HydrophobicContact CG-CB 4.18Å; T398-L402 PolarHBondContact O-N 2.89Å; T398-L402 VanDerWaalsContact O-N 3.16Å; S399-L402 PolarHBondContact O-N 3.32Å; S399-L402 VanDerWaalsContact O-N 3.11Å; L402-R404 VanDerWaalsContact C-N 3.31Å; L402-R404 PolarHBondContact O-N 3.49Å; L402-H405 CarbonylContact O-C 3.44Å; L402-H405 VanDerWaalsContact O-CA 3.3Å; L402-H405 WeakPolarHBondContact O-CA 3.42Å; L402-H405 WeakPolarHBondContact O-CB 3.48Å; L402-H405 PolarHBondContact O-N 3.01Å; L402-Q406 HydrophobicContact CD1-CG 3.99Å; L402-Q406 HydrophobicContact CG-CG 4.34Å; L402-Q406 PolarHBondContact O-N 3.02Å
403	K	78.3	Confident	76.2	Confident	147 Å²	147	69.3 Å²	69.3	64%	0.639	38%	0.376	S	S	*	.	H	α-helix	trans	-57.8	-42.5	178.8	-70.3	-169.6	175.4	-168.3	0	112.2	S399 H405 Q406 L407	S399-K403 PolarHBondContact O-N 3.12Å; K403-H405 VanDerWaalsContact C-N 3.27Å; K403-H405 PolarHBondContact O-N 2.97Å; K403-Q406 PolarHBondContact O-N 2.86Å; K403-L407 PolarHBondContact O-N 2.81Å
404	R	77.1	Confident	76.4	Confident	98 Å²	98	71.9 Å²	71.9	37%	0.37	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-28.8	171.6	-166.2	-157.1	-73.3	100.8	0.1	113	G400 N401 L402 S425 D426	G400-R404 WeakPolarHBondContact O-CB 3.44Å; G400-R404 PolarHBondContact O-N 2.97Å; N401-R404 PolarHBondContact OD1-NH1 2.84Å; L402-R404 VanDerWaalsContact C-N 3.31Å; L402-R404 PolarHBondContact O-N 3.49Å; R404-S425 WeakPolarHBondContact CG-O 3.11Å; R404-D426 HydrophobicContact CG-CB 4.28Å; R404-D426 IonicContact CZ-OD1 3.83Å; R404-D426 IonicContact NE-OD1 3.2Å; R404-D426 PolarHBondContact NE-OD1 3.47Å; R404-D426 IonicContact NH2-OD1 2.65Å
405	H	80.4	Confident	76.7	Confident	26 Å²	26	70.9 Å²	70.9	12%	0.12	38%	0.381	C	S	.	.	H	α-helix	trans	-76.6	-36	175.1	-174.9	42.8	0	0	0	112.9	C389 C392 F396 N401 L402 K403 L407 V408 H409	C389-H405 VanDerWaalsContact SG-CD2 3.56Å; C392-H405 PolarHBondContact SG-NE2 3.16Å; F396-H405 HydrophobicContact CE1-CB 3.91Å; F396-H405 HydrophobicContact CE2-CB 3.98Å; F396-H405 AromaticContact CE2-CD2 3.29Å; F396-H405 WeakPolarHBondContact CE2-CD2 3.48Å; F396-H405 AromaticContact CE2-CG 3.8Å; F396-H405 HydrophobicContact CZ-CB 3.54Å; F396-H405 AromaticContact CZ-CD2 3.2Å; F396-H405 WeakPolarHBondContact CZ-CD2 3.34Å; F396-H405 AromaticContact CZ-CG 3.31Å; F396-H405 AromaticContact CZ-NE2 3.98Å; N401-H405 WeakPolarHBondContact O-CB 3.35Å; N401-H405 PolarHBondContact O-N 2.87Å; L402-H405 CarbonylContact O-C 3.44Å; L402-H405 VanDerWaalsContact O-CA 3.3Å; L402-H405 WeakPolarHBondContact O-CA 3.42Å; L402-H405 WeakPolarHBondContact O-CB 3.48Å; L402-H405 PolarHBondContact O-N 3.01Å; K403-H405 VanDerWaalsContact C-N 3.27Å; K403-H405 PolarHBondContact O-N 2.97Å; H405-L407 PolarHBondContact O-N 2.94Å; H405-V408 WeakPolarHBondContact O-CA 3.44Å; H405-V408 WeakPolarHBondContact O-CB 3.43Å; H405-V408 WeakPolarHBondContact O-CG2 3.28Å; H405-V408 PolarHBondContact O-N 3.3Å; H405-H409 AromaticContact CD2-NE2 3.98Å; H405-H409 AromaticContact CE1-NE2 3.85Å; H405-H409 AromaticContact NE2-NE2 3.39Å; H405-H409 PolarHBondContact NE2-NE2 3.37Å
406	Q	79.8	Confident	77.1	Confident	67 Å²	67	71.9 Å²	71.9	31%	0.313	38%	0.384	S	S	.	.	H	α-helix	trans	-61.1	-31.3	176.9	-71.1	169	-60.8	0	0	111.9	L402 K403 V408 H409 S410	L402-Q406 HydrophobicContact CD1-CG 3.99Å; L402-Q406 HydrophobicContact CG-CG 4.34Å; L402-Q406 PolarHBondContact O-N 3.02Å; K403-Q406 PolarHBondContact O-N 2.86Å; Q406-V408 PolarHBondContact O-N 2.69Å; Q406-H409 WeakPolarHBondContact O-CA 3.43Å; Q406-H409 PolarHBondContact O-N 3.08Å; Q406-S410 PolarHBondContact O-N 3.06Å
407	L	81.1	Confident	77.6	Confident	29 Å²	29	69.9 Å²	69.9	15%	0.152	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-14	168.6	-61.8	176.3	0	0	0	114.5	K403 H405 G411 E412 P414 S425	K403-L407 PolarHBondContact O-N 2.81Å; H405-L407 PolarHBondContact O-N 2.94Å; L407-G411 PolarHBondContact O-N 2.76Å; L407-E412 HydrophobicContact CD2-CB 3.83Å; L407-P414 HydrophobicContact CD1-CG 4.2Å; L407-P414 HydrophobicContact CD2-CG 4.08Å; L407-S425 WeakPolarHBondContact CD1-O 3.29Å
408	V	76	Confident	78.1	Confident	92 Å²	92	72.1 Å²	72.1	56%	0.558	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-21.8	172.4	-173.2	0	0	0	0	111.4	H405 Q406	H405-V408 WeakPolarHBondContact O-CA 3.44Å; H405-V408 WeakPolarHBondContact O-CB 3.43Å; H405-V408 WeakPolarHBondContact O-CG2 3.28Å; H405-V408 PolarHBondContact O-N 3.3Å; Q406-V408 PolarHBondContact O-N 2.69Å
409	H	77.4	Confident	78.2	Confident	74 Å²	74	77.5 Å²	77.5	34%	0.343	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-42.9	178.8	-57.8	-58.4	0	0	0	112.4	C389 D391 C392 H405 Q406 G411	C389-H409 VanDerWaalsContact SG-CD2 3.54Å; C389-H409 PolarHBondContact SG-NE2 2.79Å; C389-H409 VanDerWaalsContact SG-NE2 3.43Å; D391-H409 HydrophobicContact CB-CB 4.27Å; D391-H409 IonicContact OD2-CD2 3.87Å; D391-H409 PolarHBondContact OD2-CD2 3.38Å; D391-H409 IonicContact OD2-CG 3.03Å; D391-H409 IonicContact OD2-NE2 3.71Å; C392-H409 PolarHBondContact SG-NE2 3.43Å; H405-H409 AromaticContact CD2-NE2 3.98Å; H405-H409 AromaticContact CE1-NE2 3.85Å; H405-H409 AromaticContact NE2-NE2 3.39Å; H405-H409 PolarHBondContact NE2-NE2 3.37Å; Q406-H409 WeakPolarHBondContact O-CA 3.43Å; Q406-H409 PolarHBondContact O-N 3.08Å; H409-G411 PolarHBondContact O-N 2.69Å
410	S	76.3	Confident	78.3	Confident	65 Å²	65	77.3 Å²	77.3	46%	0.455	40%	0.397	S	S	.	.	S	Bend	trans	-67.7	-15.7	171.6	67.4	0	0	0	0	112.8	Q406 E412	Q406-S410 PolarHBondContact O-N 3.06Å; S410-E412 WeakPolarHBondContact CB-OE2 3.38Å; S410-E412 PolarHBondContact O-N 3.37Å; S410-E412 VanDerWaalsContact O-N 3.08Å; S410-E412 WeakPolarHBondContact OG-CB 3.47Å; S410-E412 WeakPolarHBondContact OG-CG 3.44Å; S410-E412 PolarHBondContact OG-N 3.26Å; S410-E412 PolarHBondContact OG-OE2 3.19Å
411	G	73.1	Confident	78.2	Confident	44 Å²	44	77.4 Å²	77.4	45%	0.454	40%	0.398	S	S	.	.			trans	71.3	-5.5	-176	0	0	0	0	0	114.1	L407 H409	L407-G411 PolarHBondContact O-N 2.76Å; H409-G411 PolarHBondContact O-N 2.69Å
412	E	74.1	Confident	78.2	Confident	117 Å²	117	79.6 Å²	79.6	55%	0.547	40%	0.402	S	S	.	.			trans	-62.3	136.9	-179.9	-66.5	170.6	138.6	0	0	111.4	L407 S410	L407-E412 HydrophobicContact CD2-CB 3.83Å; S410-E412 WeakPolarHBondContact CB-OE2 3.38Å; S410-E412 PolarHBondContact O-N 3.37Å; S410-E412 VanDerWaalsContact O-N 3.08Å; S410-E412 WeakPolarHBondContact OG-CB 3.47Å; S410-E412 WeakPolarHBondContact OG-CG 3.44Å; S410-E412 PolarHBondContact OG-N 3.26Å; S410-E412 PolarHBondContact OG-OE2 3.19Å
413	K	78.4	Confident	78.2	Confident	120 Å²	120	80.9 Å²	80.9	52%	0.522	41%	0.412	S	S	.	.			trans	-132.1	79.9	-178.8	-68.1	173.1	-148.3	162.8	0	108.8	Y415 S423 F424	K413-Y415 PolarHBondContact O-N 3.45Å; K413-S423 VanDerWaalsContact CD-O 3.22Å; K413-S423 WeakPolarHBondContact CD-O 3.32Å; K413-S423 WeakPolarHBondContact O-CB 3.41Å; K413-F424 CarbonylContact C-O 3.57Å; K413-F424 WeakPolarHBondContact CA-O 3.42Å
414	P	78.7	Confident	78.3	Confident	81 Å²	81	76.2 Å²	76.2	53%	0.526	39%	0.392	S	S	.	.			trans	-63.5	-13.4	-170.4	-24.7	35.8	0	0	0	115	L407	L407-P414 HydrophobicContact CD1-CG 4.2Å; L407-P414 HydrophobicContact CD2-CG 4.08Å
415	Y	78.8	Confident	78.3	Confident	94 Å²	94	73.3 Å²	73.3	37%	0.369	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	78.1	-174.3	-51.3	-71.4	0	0	0	110.6	K413 F424 P427	K413-Y415 PolarHBondContact O-N 3.45Å; Y415-F424 WeakPolarHBondContact CB-O 3.37Å; Y415-F424 WeakPolarHBondContact CD2-O 3.32Å; Y415-F424 PolarHBondContact N-O 2.7Å; Y415-F424 PolarHBondContact O-N 2.92Å; Y415-P427 HydrophobicContact CD1-CG 4.15Å; Y415-P427 HydrophobicContact CD2-CG 4.28Å; Y415-P427 HydrophobicContact CE1-CG 3.74Å; Y415-P427 HydrophobicContact CE2-CG 3.87Å; Y415-P427 HydrophobicContact CG-CG 4.41Å
416	Q	82.1	Confident	78.2	Confident	112 Å²	112	72.9 Å²	72.9	52%	0.523	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	140.4	175.7	-168.5	164.9	33.5	0	0	112.2	G421 S423 K430	Q416-G421 WeakPolarHBondContact CG-O 3.17Å; Q416-G421 PolarHBondContact NE2-O 3.06Å; Q416-S423 WeakPolarHBondContact CG-OG 3.31Å; Q416-K430 VanDerWaalsContact O-CD 3.29Å; Q416-K430 WeakPolarHBondContact O-CD 3.44Å; Q416-K430 WeakPolarHBondContact O-CE 3.47Å; Q416-K430 PolarHBondContact O-NZ 3.25Å
417	C	84.2	Confident	78.2	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.007	39%	0.39	C	S	.	.			trans	-86	123.6	173.2	-175.6	0	0	0	0	111.1	Y419 C420 G421 R422 F424 H433	C417-Y419 VanDerWaalsContact C-N 3.26Å; C417-Y419 PolarHBondContact O-N 3.15Å; C417-C420 PolarHBondContact O-N 3.15Å; C417-G421 WeakPolarHBondContact O-CA 3.42Å; C417-G421 PolarHBondContact O-N 3.05Å; C417-R422 WeakPolarHBondContact CB-O 3.31Å; C417-R422 PolarHBondContact N-O 3.01Å; C417-F424 HydrophobicContact CB-CE2 4.17Å; C417-H433 PolarHBondContact SG-CD2 2.96Å; C417-H433 PolarHBondContact SG-NE2 3.3Å; C417-H433 VanDerWaalsContact SG-NE2 3.37Å
418	D	80.3	Confident	78.1	Confident	121 Å²	121	76 Å²	76	65%	0.647	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-17	-169.2	-31.7	-86.3	0	0	0	112.3	K430	D418-K430 VanDerWaalsContact CG-NZ 3.28Å; D418-K430 IonicContact OD1-NZ 3.77Å; D418-K430 PolarHBondContact OD1-NZ 3.09Å; D418-K430 VanDerWaalsContact OD1-NZ 3.08Å; D418-K430 VanDerWaalsContact OD2-CE 3.22Å; D418-K430 WeakPolarHBondContact OD2-CE 3.47Å; D418-K430 IonicContact OD2-NZ 3.45Å; D418-K430 PolarHBondContact OD2-NZ 2.8Å
419	Y	75.4	Confident	78.3	Confident	175 Å²	175	73 Å²	73	69%	0.686	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-20.1	-179.5	-67.3	-83	0	0	0	114.8	C417 L434	C417-Y419 VanDerWaalsContact C-N 3.26Å; C417-Y419 PolarHBondContact O-N 3.15Å; Y419-L434 HydrophobicContact CD2-CD2 3.7Å; Y419-L434 HydrophobicContact CE2-CD2 3.98Å
420	C	78.4	Confident	78.5	Confident	47 Å²	47	71.5 Å²	71.5	32%	0.318	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.4	15.8	-175.9	68.5	0	0	0	0	114.9	C417 R422 H433 H437	C417-C420 PolarHBondContact O-N 3.15Å; C420-R422 PolarHBondContact O-N 3.03Å; C420-H433 PolarHBondContact SG-NE2 2.97Å; C420-H437 PolarHBondContact SG-NE2 3.14Å; C420-H437 VanDerWaalsContact SG-NE2 3.37Å
421	G	74.8	Confident	78.6	Confident	39 Å²	39	74.3 Å²	74.3	40%	0.402	40%	0.395	S	S	.	.			trans	67.8	-11.3	176.9	0	0	0	0	0	116.2	Q416 C417 S423	Q416-G421 WeakPolarHBondContact CG-O 3.17Å; Q416-G421 PolarHBondContact NE2-O 3.06Å; C417-G421 WeakPolarHBondContact O-CA 3.42Å; C417-G421 PolarHBondContact O-N 3.05Å; G421-S423 PolarHBondContact O-N 3.17Å; G421-S423 PolarHBondContact O-OG 3.08Å
422	R	76.3	Confident	78.9	Confident	105 Å²	105	78.1 Å²	78.1	40%	0.396	40%	0.395	S	S	.	.			trans	-67.7	126.7	-175.7	-76.8	-176.4	166.9	177.6	-5.8	112.3	E219 C417 C420 F424	E219-R422 IonicContact OE1-CZ 2.71Å; E219-R422 IonicContact OE1-NH2 2.68Å; E219-R422 PolarHBondContact OE1-NH2 2.8Å; E219-R422 IonicContact OE2-CZ 3.23Å; E219-R422 IonicContact OE2-NE 3.7Å; E219-R422 PolarHBondContact OE2-NE 3.07Å; E219-R422 IonicContact OE2-NH2 2.92Å; E219-R422 PolarHBondContact OE2-NH2 3.47Å; C417-R422 WeakPolarHBondContact CB-O 3.31Å; C417-R422 PolarHBondContact N-O 3.01Å; C420-R422 PolarHBondContact O-N 3.03Å; R422-F424 HydrophobicContact CB-CE2 4.15Å; R422-F424 HydrophobicContact CB-CZ 4.35Å; R422-F424 WeakPolarHBondContact O-CD2 3.4Å; R422-F424 WeakPolarHBondContact O-CE2 3.22Å
423	S	80.8	Confident	79.2	Confident	44 Å²	44	73.7 Å²	73.7	31%	0.308	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	146.1	-176.2	-54.7	0	0	0	0	113.9	K413 Q416 G421	K413-S423 VanDerWaalsContact CD-O 3.22Å; K413-S423 WeakPolarHBondContact CD-O 3.32Å; K413-S423 WeakPolarHBondContact O-CB 3.41Å; Q416-S423 WeakPolarHBondContact CG-OG 3.31Å; G421-S423 PolarHBondContact O-N 3.17Å; G421-S423 PolarHBondContact O-OG 3.08Å
424	F	80.3	Confident	79.2	Confident	49 Å²	49	70 Å²	70	22%	0.215	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.4	-179	-59.7	-90	0	0	0	111.9	K413 Y415 C417 R422 K430 H433	K413-F424 CarbonylContact C-O 3.57Å; K413-F424 WeakPolarHBondContact CA-O 3.42Å; Y415-F424 WeakPolarHBondContact CB-O 3.37Å; Y415-F424 WeakPolarHBondContact CD2-O 3.32Å; Y415-F424 PolarHBondContact N-O 2.7Å; Y415-F424 PolarHBondContact O-N 2.92Å; C417-F424 HydrophobicContact CB-CE2 4.17Å; R422-F424 HydrophobicContact CB-CE2 4.15Å; R422-F424 HydrophobicContact CB-CZ 4.35Å; R422-F424 WeakPolarHBondContact O-CD2 3.4Å; R422-F424 WeakPolarHBondContact O-CE2 3.22Å; F424-K430 HydrophobicContact CB-CB 4.42Å; F424-K430 HydrophobicContact CD2-CB 4.18Å; F424-K430 HydrophobicContact CG-CB 4.49Å; F424-H433 HydrophobicContact CE1-CB 4.03Å; F424-H433 HydrophobicContact CE2-CB 3.92Å; F424-H433 AromaticContact CE2-CD2 3.26Å; F424-H433 WeakPolarHBondContact CE2-CD2 3.35Å; F424-H433 AromaticContact CE2-CG 3.71Å; F424-H433 HydrophobicContact CZ-CB 3.52Å; F424-H433 AromaticContact CZ-CD2 3.36Å; F424-H433 WeakPolarHBondContact CZ-CD2 3.43Å; F424-H433 AromaticContact CZ-CG 3.34Å
425	S	78.3	Confident	79	Confident	38 Å²	38	70.1 Å²	70.1	27%	0.266	35%	0.354	S	S	.	.	S	Bend	trans	-89.1	5.3	176.6	52.3	0	0	0	0	114.1	R404 L407	R404-S425 WeakPolarHBondContact CG-O 3.11Å; L407-S425 WeakPolarHBondContact CD1-O 3.29Å
426	D	78.5	Confident	78.7	Confident	16 Å²	16	68.6 Å²	68.6	9%	0.086	36%	0.355	C	S	.	.	S	Bend	trans	-150	135.9	-179	174.9	65.7	0	0	0	111.9	R404 T428 S429 K430	R404-D426 HydrophobicContact CG-CB 4.28Å; R404-D426 IonicContact CZ-OD1 3.83Å; R404-D426 IonicContact NE-OD1 3.2Å; R404-D426 PolarHBondContact NE-OD1 3.47Å; R404-D426 IonicContact NH2-OD1 2.65Å; D426-T428 VanDerWaalsContact C-N 3.32Å; D426-T428 PolarHBondContact O-N 3.48Å; D426-T428 PolarHBondContact OD1-OG1 3.07Å; D426-T428 WeakPolarHBondContact OD2-CA 3.11Å; D426-T428 WeakPolarHBondContact OD2-CB 3.39Å; D426-T428 PolarHBondContact OD2-N 2.87Å; D426-T428 VanDerWaalsContact OD2-N 3.09Å; D426-T428 PolarHBondContact OD2-OG1 2.86Å; D426-S429 WeakPolarHBondContact O-CA 3.36Å; D426-S429 WeakPolarHBondContact O-CB 3.26Å; D426-S429 PolarHBondContact O-N 3.33Å; D426-S429 PolarHBondContact OD2-N 3.38Å; D426-S429 VanDerWaalsContact OD2-N 3.09Å; D426-K430 PolarHBondContact O-N 3.25Å
427	P	78.4	Confident	78.2	Confident	65 Å²	65	66.5 Å²	66.5	42%	0.422	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-40	178.8	-24.5	33.7	0	0	0	113.4	Y415 S429 K430 M431	Y415-P427 HydrophobicContact CD1-CG 4.15Å; Y415-P427 HydrophobicContact CD2-CG 4.28Å; Y415-P427 HydrophobicContact CE1-CG 3.74Å; Y415-P427 HydrophobicContact CE2-CG 3.87Å; Y415-P427 HydrophobicContact CG-CG 4.41Å; P427-S429 PolarHBondContact O-N 2.97Å; P427-K430 PolarHBondContact O-N 2.73Å; P427-M431 WeakPolarHBondContact O-CB 3.45Å; P427-M431 PolarHBondContact O-N 2.89Å
428	T	79.2	Confident	77.6	Confident	97 Å²	97	69.3 Å²	69.3	60%	0.595	36%	0.36	S	S	*	.	H	α-helix	trans	-62.4	-31.3	176.7	-13.3	0	0	0	0	111.5	D426 R432	D426-T428 VanDerWaalsContact C-N 3.32Å; D426-T428 PolarHBondContact O-N 3.48Å; D426-T428 PolarHBondContact OD1-OG1 3.07Å; D426-T428 WeakPolarHBondContact OD2-CA 3.11Å; D426-T428 WeakPolarHBondContact OD2-CB 3.39Å; D426-T428 PolarHBondContact OD2-N 2.87Å; D426-T428 VanDerWaalsContact OD2-N 3.09Å; D426-T428 PolarHBondContact OD2-OG1 2.86Å; T428-R432 WeakPolarHBondContact O-CB 3.37Å; T428-R432 PolarHBondContact O-N 3.08Å
429	S	81.1	Confident	76.7	Confident	30 Å²	30	69 Å²	69	21%	0.21	36%	0.362	C	S	.	.	H	α-helix	trans	-77.8	-35.8	175.9	-65.6	0	0	0	0	113.3	D426 P427 H433	D426-S429 WeakPolarHBondContact O-CA 3.36Å; D426-S429 WeakPolarHBondContact O-CB 3.26Å; D426-S429 PolarHBondContact O-N 3.33Å; D426-S429 PolarHBondContact OD2-N 3.38Å; D426-S429 VanDerWaalsContact OD2-N 3.09Å; P427-S429 PolarHBondContact O-N 2.97Å; S429-H433 WeakPolarHBondContact O-CB 3.45Å; S429-H433 PolarHBondContact O-N 2.97Å; S429-H433 VanDerWaalsContact O-N 3.17Å
430	K	82	Confident	76	Confident	42 Å²	42	67.7 Å²	67.7	18%	0.183	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-50.2	166	175.4	175.5	173.8	168.2	0	110.1	Q416 D418 F424 D426 P427 R432 H433 L434	Q416-K430 VanDerWaalsContact O-CD 3.29Å; Q416-K430 WeakPolarHBondContact O-CD 3.44Å; Q416-K430 WeakPolarHBondContact O-CE 3.47Å; Q416-K430 PolarHBondContact O-NZ 3.25Å; D418-K430 VanDerWaalsContact CG-NZ 3.28Å; D418-K430 IonicContact OD1-NZ 3.77Å; D418-K430 PolarHBondContact OD1-NZ 3.09Å; D418-K430 VanDerWaalsContact OD1-NZ 3.08Å; D418-K430 VanDerWaalsContact OD2-CE 3.22Å; D418-K430 WeakPolarHBondContact OD2-CE 3.47Å; D418-K430 IonicContact OD2-NZ 3.45Å; D418-K430 PolarHBondContact OD2-NZ 2.8Å; F424-K430 HydrophobicContact CB-CB 4.42Å; F424-K430 HydrophobicContact CD2-CB 4.18Å; F424-K430 HydrophobicContact CG-CB 4.49Å; D426-K430 PolarHBondContact O-N 3.25Å; P427-K430 PolarHBondContact O-N 2.73Å; K430-R432 PolarHBondContact O-N 3.32Å; K430-H433 CarbonylContact O-C 3.56Å; K430-H433 WeakPolarHBondContact O-CA 3.39Å; K430-H433 WeakPolarHBondContact O-CB 3.2Å; K430-H433 PolarHBondContact O-N 2.81Å; K430-L434 HydrophobicContact CG-CD1 4.15Å; K430-L434 HydrophobicContact CG-CG 4.37Å; K430-L434 WeakPolarHBondContact O-CG 3.36Å; K430-L434 PolarHBondContact O-N 3.3Å
431	M	78.4	Confident	75.1	Confident	123 Å²	123	71.2 Å²	71.2	61%	0.606	38%	0.377	S	S	*	.	H	α-helix	trans	-57.1	-49.6	-178.3	-165.5	69.3	177.3	0	0	112.2	P427 H433 L434 E435	P427-M431 WeakPolarHBondContact O-CB 3.45Å; P427-M431 PolarHBondContact O-N 2.89Å; M431-H433 PolarHBondContact O-N 3.09Å; M431-L434 WeakPolarHBondContact O-CB 3.22Å; M431-L434 PolarHBondContact O-N 2.65Å; M431-E435 PolarHBondContact O-N 3.04Å; M431-E435 VanDerWaalsContact O-N 3.14Å
432	R	78	Confident	74.9	Confident	125 Å²	125	72.8 Å²	72.8	47%	0.472	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-14.1	176.2	-175.2	-177.4	60	154.2	-5	114.2	T428 K430 E435 Q454	T428-R432 WeakPolarHBondContact O-CB 3.37Å; T428-R432 PolarHBondContact O-N 3.08Å; K430-R432 PolarHBondContact O-N 3.32Å; R432-E435 WeakPolarHBondContact CA-OE2 3.44Å; R432-Q454 HydrophobicContact CG-CG 4.29Å
433	H	80.9	Confident	74.8	Confident	23 Å²	23	70.9 Å²	70.9	11%	0.106	37%	0.369	C	S	.	.	H	α-helix	trans	-92.1	-30.1	169.7	171.7	53.6	0	0	0	112.4	C417 C420 F424 S429 K430 M431 E435 T436 H437	C417-H433 PolarHBondContact SG-CD2 2.96Å; C417-H433 PolarHBondContact SG-NE2 3.3Å; C417-H433 VanDerWaalsContact SG-NE2 3.37Å; C420-H433 PolarHBondContact SG-NE2 2.97Å; F424-H433 HydrophobicContact CE1-CB 4.03Å; F424-H433 HydrophobicContact CE2-CB 3.92Å; F424-H433 AromaticContact CE2-CD2 3.26Å; F424-H433 WeakPolarHBondContact CE2-CD2 3.35Å; F424-H433 AromaticContact CE2-CG 3.71Å; F424-H433 HydrophobicContact CZ-CB 3.52Å; F424-H433 AromaticContact CZ-CD2 3.36Å; F424-H433 WeakPolarHBondContact CZ-CD2 3.43Å; F424-H433 AromaticContact CZ-CG 3.34Å; S429-H433 WeakPolarHBondContact O-CB 3.45Å; S429-H433 PolarHBondContact O-N 2.97Å; S429-H433 VanDerWaalsContact O-N 3.17Å; K430-H433 CarbonylContact O-C 3.56Å; K430-H433 WeakPolarHBondContact O-CA 3.39Å; K430-H433 WeakPolarHBondContact O-CB 3.2Å; K430-H433 PolarHBondContact O-N 2.81Å; M431-H433 PolarHBondContact O-N 3.09Å; H433-E435 PolarHBondContact O-N 3.41Å; H433-T436 PolarHBondContact CE1-OG1 2.97Å; H433-T436 PolarHBondContact ND1-OG1 2.93Å; H433-T436 WeakPolarHBondContact O-CA 3.48Å; H433-T436 WeakPolarHBondContact O-CB 3.38Å; H433-T436 PolarHBondContact O-N 2.98Å; H433-T436 PolarHBondContact O-OG1 2.63Å; H433-H437 AromaticContact CE1-CD2 3.92Å; H433-H437 AromaticContact CE1-NE2 3.26Å; H433-H437 PolarHBondContact CE1-NE2 3.34Å; H433-H437 VanDerWaalsContact CE1-NE2 3.26Å; H433-H437 AromaticContact NE2-CD2 3.78Å; H433-H437 AromaticContact NE2-NE2 3.06Å; H433-H437 PolarHBondContact NE2-NE2 3.01Å
434	L	78.2	Confident	74.6	Confident	44 Å²	44	74.8 Å²	74.8	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-61.8	-33.4	168.5	-63.4	168.4	0	0	0	111	Y419 K430 M431 T436 H437 D438	Y419-L434 HydrophobicContact CD2-CD2 3.7Å; Y419-L434 HydrophobicContact CE2-CD2 3.98Å; K430-L434 HydrophobicContact CG-CD1 4.15Å; K430-L434 HydrophobicContact CG-CG 4.37Å; K430-L434 WeakPolarHBondContact O-CG 3.36Å; K430-L434 PolarHBondContact O-N 3.3Å; M431-L434 WeakPolarHBondContact O-CB 3.22Å; M431-L434 PolarHBondContact O-N 2.65Å; L434-T436 PolarHBondContact O-N 2.9Å; L434-H437 PolarHBondContact O-N 2.86Å; L434-D438 PolarHBondContact O-N 3.06Å; L434-D438 VanDerWaalsContact O-N 3.08Å
435	E	75.8	Confident	74.5	Confident	83 Å²	83	73.1 Å²	73.1	39%	0.388	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-7	165.6	-64.9	175	165.7	0	0	114.7	M431 R432 H433	M431-E435 PolarHBondContact O-N 3.04Å; M431-E435 VanDerWaalsContact O-N 3.14Å; R432-E435 WeakPolarHBondContact CA-OE2 3.44Å; H433-E435 PolarHBondContact O-N 3.41Å
436	T	71.4	Confident	74.5	Confident	62 Å²	62	76.3 Å²	76.3	38%	0.38	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-8.5	172.9	64	0	0	0	0	114.6	H433 L434 N453	H433-T436 PolarHBondContact CE1-OG1 2.97Å; H433-T436 PolarHBondContact ND1-OG1 2.93Å; H433-T436 WeakPolarHBondContact O-CA 3.48Å; H433-T436 WeakPolarHBondContact O-CB 3.38Å; H433-T436 PolarHBondContact O-N 2.98Å; H433-T436 PolarHBondContact O-OG1 2.63Å; L434-T436 PolarHBondContact O-N 2.9Å; T436-N453 HydrophobicContact CG2-CB 4.34Å; T436-N453 WeakPolarHBondContact CG2-ND2 3.49Å
437	H	72.1	Confident	74.3	Confident	68 Å²	68	81.6 Å²	81.6	32%	0.315	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-27	166.6	-64	-69.4	0	0	0	111.5	C420 H433 L434 T439	C420-H437 PolarHBondContact SG-NE2 3.14Å; C420-H437 VanDerWaalsContact SG-NE2 3.37Å; H433-H437 AromaticContact CE1-CD2 3.92Å; H433-H437 AromaticContact CE1-NE2 3.26Å; H433-H437 PolarHBondContact CE1-NE2 3.34Å; H433-H437 VanDerWaalsContact CE1-NE2 3.26Å; H433-H437 AromaticContact NE2-CD2 3.78Å; H433-H437 AromaticContact NE2-NE2 3.06Å; H433-H437 PolarHBondContact NE2-NE2 3.01Å; L434-H437 PolarHBondContact O-N 2.86Å; H437-T439 VanDerWaalsContact C-N 3.28Å; H437-T439 PolarHBondContact O-N 3.37Å
438	D	71.1	Confident	74.3	Confident	60 Å²	60	80.3 Å²	80.3	32%	0.321	41%	0.411	S	S	.	.			trans	-74.9	73.7	173.2	-166	-24	0	0	0	111.1	L434 D440 K441	L434-D438 PolarHBondContact O-N 3.06Å; L434-D438 VanDerWaalsContact O-N 3.08Å; D438-D440 PolarHBondContact O-N 3.24Å; D438-D440 VanDerWaalsContact O-N 3.09Å; D438-K441 PolarHBondContact O-N 2.87Å; D438-K441 IonicContact OD1-NZ 2.68Å; D438-K441 PolarHBondContact OD1-NZ 3.33Å; D438-K441 VanDerWaalsContact OD1-NZ 3.09Å; D438-K441 WeakPolarHBondContact OD2-CD 3.39Å; D438-K441 WeakPolarHBondContact OD2-CE 3.5Å; D438-K441 IonicContact OD2-NZ 3.06Å; D438-K441 PolarHBondContact OD2-NZ 3.38Å
439	T	61.9	Low	74.2	Confident	115 Å²	115	82.6 Å²	82.6	71%	0.706	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.1	-176.5	51.1	0	0	0	0	114.6	H437 E442	H437-T439 VanDerWaalsContact C-N 3.28Å; H437-T439 PolarHBondContact O-N 3.37Å; T439-E442 WeakPolarHBondContact O-CG 3.42Å
440	D	59.2	Low	73.9	Confident	147 Å²	147	86.5 Å²	86.5	79%	0.786	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-23.4	179.3	-155.7	30.6	0	0	0	112	D438 E442	D438-D440 PolarHBondContact O-N 3.24Å; D438-D440 VanDerWaalsContact O-N 3.09Å; D440-E442 PolarHBondContact O-N 3.17Å
441	K	61.3	Low	73.8	Confident	120 Å²	120	89.2 Å²	89.2	52%	0.522	44%	0.444	S	S	.	.			trans	-85.2	47.1	178.5	-69.6	-179.1	-172.3	64.7	0	113.7	D438 H443	D438-K441 PolarHBondContact O-N 2.87Å; D438-K441 IonicContact OD1-NZ 2.68Å; D438-K441 PolarHBondContact OD1-NZ 3.33Å; D438-K441 VanDerWaalsContact OD1-NZ 3.09Å; D438-K441 WeakPolarHBondContact OD2-CD 3.39Å; D438-K441 WeakPolarHBondContact OD2-CE 3.5Å; D438-K441 IonicContact OD2-NZ 3.06Å; D438-K441 PolarHBondContact OD2-NZ 3.38Å; K441-H443 PolarHBondContact O-N 3.45Å
442	E	69.8	Low	73.8	Confident	73 Å²	73	85.5 Å²	85.5	34%	0.341	43%	0.425	S	S	.	.			trans	-72.1	106.2	175.5	-58.8	-168.9	126.6	0	0	112.1	T439 D440 K444 K451	T439-E442 WeakPolarHBondContact O-CG 3.42Å; D440-E442 PolarHBondContact O-N 3.17Å; E442-K444 HydrophobicContact CB-CG 4.27Å; E442-K444 PolarHBondContact O-N 2.83Å; E442-K444 WeakPolarHBondContact OE2-CE 3.19Å; E442-K444 IonicContact OE2-NZ 2.69Å; E442-K444 PolarHBondContact OE2-NZ 2.71Å; E442-K451 HydrophobicContact CB-CD 4.35Å; E442-K451 HydrophobicContact CG-CD 4.29Å; E442-K451 WeakPolarHBondContact OE1-CD 3.48Å; E442-K451 WeakPolarHBondContact OE1-CE 3.49Å; E442-K451 IonicContact OE1-NZ 2.65Å; E442-K451 PolarHBondContact OE1-NZ 3.29Å; E442-K451 VanDerWaalsContact OE2-CD 3.27Å; E442-K451 WeakPolarHBondContact OE2-CD 3.37Å; E442-K451 WeakPolarHBondContact OE2-CE 3.37Å; E442-K451 IonicContact OE2-NZ 2.76Å; E442-K451 PolarHBondContact OE2-NZ 2.85Å
443	H	74.2	Confident	73.6	Confident	64 Å²	64	82.7 Å²	82.7	30%	0.296	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	85.4	170.7	-61.5	-58.9	0	0	0	110.6	K441 F452 V455 L458	K441-H443 PolarHBondContact O-N 3.45Å; H443-F452 WeakPolarHBondContact CA-O 3.41Å; H443-F452 HydrophobicContact CB-CB 4.5Å; H443-F452 WeakPolarHBondContact CB-O 3.43Å; H443-F452 PolarHBondContact N-O 3.07Å; H443-F452 PolarHBondContact O-N 3.24Å; H443-V455 PolarHBondContact CD2-N 2.95Å; H443-V455 VanDerWaalsContact NE2-CG2 3.26Å; H443-V455 WeakPolarHBondContact NE2-CG2 3.46Å; H443-L458 HydrophobicContact CB-CB 4.2Å; H443-L458 HydrophobicContact CB-CD2 3.85Å
444	K	76.6	Confident	73.3	Confident	127 Å²	127	83.4 Å²	83.4	55%	0.552	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	145.5	177.3	-60.3	174.7	-172.8	173.3	0	111.1	E442 K451	E442-K444 HydrophobicContact CB-CG 4.27Å; E442-K444 PolarHBondContact O-N 2.83Å; E442-K444 WeakPolarHBondContact OE2-CE 3.19Å; E442-K444 IonicContact OE2-NZ 2.69Å; E442-K444 PolarHBondContact OE2-NZ 2.71Å; K444-K451 HydrophobicContact CG-CD 4.4Å; K444-K451 HydrophobicContact CG-CG 4.21Å
445	C	78.9	Confident	73.2	Confident	13 Å²	13	85.5 Å²	85.5	9%	0.088	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.5	175.5	-177.5	0	0	0	0	111.3	H447 C448 K450 F452 L458 H461 H465	C445-H447 PolarHBondContact O-N 3.35Å; C445-C448 WeakPolarHBondContact CB-O 3.31Å; C445-K450 WeakPolarHBondContact CB-O 3.34Å; C445-K450 PolarHBondContact N-O 3.22Å; C445-K450 VanDerWaalsContact N-O 3.08Å; C445-F452 HydrophobicContact CB-CE2 4.47Å; C445-L458 HydrophobicContact CB-CD1 3.83Å; C445-H461 PolarHBondContact SG-NE2 2.95Å; C445-H465 VanDerWaalsContact SG-CD2 3.54Å; C445-H465 PolarHBondContact SG-NE2 3.39Å; C445-H465 VanDerWaalsContact SG-NE2 3.44Å
446	P	77.6	Confident	73.2	Confident	106 Å²	106	84.1 Å²	84.1	69%	0.688	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.7	176.4	-21	34.8	0	0	0	115.2
447	H	73.8	Confident	73.5	Confident	127 Å²	127	84.4 Å²	84.4	59%	0.588	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-1.8	-172.5	-55.1	-66.1	0	0	0	114	C445 H465	C445-H447 PolarHBondContact O-N 3.35Å; H447-H465 HydrophobicContact CB-CB 4.02Å
448	C	78.6	Confident	73.8	Confident	37 Å²	37	82.2 Å²	82.2	25%	0.25	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	165	167.2	63.4	0	0	0	0	111	C445 K450 H461 H465	C445-C448 WeakPolarHBondContact CB-O 3.31Å; C448-K450 PolarHBondContact O-N 3.31Å; C448-H461 PolarHBondContact SG-NE2 3.09Å; C448-H461 VanDerWaalsContact SG-NE2 3.35Å; C448-H465 VanDerWaalsContact SG-CE1 3.55Å; C448-H465 PolarHBondContact SG-NE2 3.3Å
449	D	76.6	Confident	74	Confident	146 Å²	146	86.5 Å²	86.5	78%	0.781	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	12	-172.9	-47	-80.3	0	0	0	115.2	K451	D449-K451 PolarHBondContact O-N 3.43Å
450	K	75.7	Confident	74.6	Confident	112 Å²	112	82.3 Å²	82.3	49%	0.487	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	118	-179.4	-63.4	-169.1	-179.4	-169.6	0	110.4	C445 C448 F452	C445-K450 WeakPolarHBondContact CB-O 3.34Å; C445-K450 PolarHBondContact N-O 3.22Å; C445-K450 VanDerWaalsContact N-O 3.08Å; C448-K450 PolarHBondContact O-N 3.31Å; K450-F452 HydrophobicContact CB-CE2 3.72Å; K450-F452 HydrophobicContact CB-CZ 3.86Å; K450-F452 VanDerWaalsContact O-CE2 3.3Å; K450-F452 WeakPolarHBondContact O-CE2 3.01Å
451	K	79.8	Confident	75.4	Confident	98 Å²	98	76 Å²	76	43%	0.426	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	146.7	175.5	-38.5	-167.7	-168.1	178.6	0	110.6	E442 K444 D449	E442-K451 HydrophobicContact CB-CD 4.35Å; E442-K451 HydrophobicContact CG-CD 4.29Å; E442-K451 WeakPolarHBondContact OE1-CD 3.48Å; E442-K451 WeakPolarHBondContact OE1-CE 3.49Å; E442-K451 IonicContact OE1-NZ 2.65Å; E442-K451 PolarHBondContact OE1-NZ 3.29Å; E442-K451 VanDerWaalsContact OE2-CD 3.27Å; E442-K451 WeakPolarHBondContact OE2-CD 3.37Å; E442-K451 WeakPolarHBondContact OE2-CE 3.37Å; E442-K451 IonicContact OE2-NZ 2.76Å; E442-K451 PolarHBondContact OE2-NZ 2.85Å; K444-K451 HydrophobicContact CG-CD 4.4Å; K444-K451 HydrophobicContact CG-CG 4.21Å; D449-K451 PolarHBondContact O-N 3.43Å
452	F	77.6	Confident	76.1	Confident	45 Å²	45	72.8 Å²	72.8	20%	0.197	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.9	178.7	-60.6	-88.7	0	0	0	110.7	H443 C445 K450 Q454 N457 L458 H461	H443-F452 WeakPolarHBondContact CA-O 3.41Å; H443-F452 HydrophobicContact CB-CB 4.5Å; H443-F452 WeakPolarHBondContact CB-O 3.43Å; H443-F452 PolarHBondContact N-O 3.07Å; H443-F452 PolarHBondContact O-N 3.24Å; C445-F452 HydrophobicContact CB-CE2 4.47Å; K450-F452 HydrophobicContact CB-CE2 3.72Å; K450-F452 HydrophobicContact CB-CZ 3.86Å; K450-F452 VanDerWaalsContact O-CE2 3.3Å; K450-F452 WeakPolarHBondContact O-CE2 3.01Å; F452-Q454 PolarHBondContact O-N 3.13Å; F452-N457 HydrophobicContact CB-CB 4.3Å; F452-N457 HydrophobicContact CD1-CB 3.92Å; F452-N457 HydrophobicContact CG-CB 4.44Å; F452-L458 HydrophobicContact CB-CB 4.12Å; F452-L458 HydrophobicContact CD2-CB 4.07Å; F452-L458 HydrophobicContact CD2-CD1 3.82Å; F452-L458 HydrophobicContact CE2-CD1 4.16Å; F452-L458 HydrophobicContact CG-CB 4.22Å; F452-H461 HydrophobicContact CE1-CB 3.93Å; F452-H461 HydrophobicContact CE2-CB 3.89Å; F452-H461 AromaticContact CE2-CD2 3.23Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.48Å; F452-H461 AromaticContact CE2-CG 3.6Å; F452-H461 AromaticContact CE2-NE2 4Å; F452-H461 HydrophobicContact CZ-CB 3.47Å; F452-H461 VanDerWaalsContact CZ-CB 3.47Å; F452-H461 AromaticContact CZ-CD2 3.4Å; F452-H461 WeakPolarHBondContact CZ-CD2 3.45Å; F452-H461 AromaticContact CZ-CG 3.27Å; F452-H461 AromaticContact CZ-ND1 3.9Å
453	N	74.3	Confident	76.2	Confident	66 Å²	66	74.1 Å²	74.1	35%	0.353	39%	0.386	S	S	.	.	S	Bend	trans	-74.3	-9	175.7	61.7	-11.9	0	0	0	114.2	T436 N457	T436-N453 HydrophobicContact CG2-CB 4.34Å; T436-N453 WeakPolarHBondContact CG2-ND2 3.49Å; N453-N457 PolarHBondContact OD1-ND2 3.03Å
454	Q	75.1	Confident	76	Confident	38 Å²	38	73.6 Å²	73.6	18%	0.178	39%	0.385	C	S	.	.	S	Bend	trans	-143.9	133.2	-173.3	-71	162.3	27.7	0	0	110.7	R432 F452 G456 N457 L458	R432-Q454 HydrophobicContact CG-CG 4.29Å; F452-Q454 PolarHBondContact O-N 3.13Å; Q454-G456 PolarHBondContact O-N 2.76Å; Q454-G456 VanDerWaalsContact O-N 3.17Å; Q454-N457 HydrophobicContact CB-CB 4.3Å; Q454-N457 PolarHBondContact O-N 3.12Å; Q454-N457 PolarHBondContact OE1-ND2 3.34Å; Q454-N457 VanDerWaalsContact OE1-ND2 3.17Å; Q454-L458 PolarHBondContact O-N 2.86Å
455	V	75.3	Confident	75.6	Confident	89 Å²	89	70.8 Å²	70.8	54%	0.539	37%	0.374	S	S	.	.	H	α-helix	trans	-53.5	-36.6	174.6	-174.7	0	0	0	0	111.9	H443 N457 L458 K459	H443-V455 PolarHBondContact CD2-N 2.95Å; H443-V455 VanDerWaalsContact NE2-CG2 3.26Å; H443-V455 WeakPolarHBondContact NE2-CG2 3.46Å; V455-N457 PolarHBondContact O-N 3.41Å; V455-L458 PolarHBondContact O-N 2.74Å; V455-K459 VanDerWaalsContact O-CB 3.29Å; V455-K459 WeakPolarHBondContact O-CB 3.46Å; V455-K459 PolarHBondContact O-N 3.19Å
456	G	75.9	Confident	75.2	Confident	53 Å²	53	75.2 Å²	75.2	55%	0.546	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-39.1	176.8	0	0	0	0	0	113.2	Q454 A460	Q454-G456 PolarHBondContact O-N 2.76Å; Q454-G456 VanDerWaalsContact O-N 3.17Å; G456-A460 WeakPolarHBondContact O-CB 3.45Å; G456-A460 PolarHBondContact O-N 3.06Å
457	N	77.8	Confident	74.2	Confident	68 Å²	68	74.1 Å²	74.1	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-73.2	-42.4	178.3	-66.1	-23.5	0	0	0	111	F452 N453 Q454 V455 K459 A460 H461	F452-N457 HydrophobicContact CB-CB 4.3Å; F452-N457 HydrophobicContact CD1-CB 3.92Å; F452-N457 HydrophobicContact CG-CB 4.44Å; N453-N457 PolarHBondContact OD1-ND2 3.03Å; Q454-N457 HydrophobicContact CB-CB 4.3Å; Q454-N457 PolarHBondContact O-N 3.12Å; Q454-N457 PolarHBondContact OE1-ND2 3.34Å; Q454-N457 VanDerWaalsContact OE1-ND2 3.17Å; V455-N457 PolarHBondContact O-N 3.41Å; N457-K459 PolarHBondContact O-N 3.09Å; N457-A460 PolarHBondContact O-N 2.62Å; N457-H461 WeakPolarHBondContact O-CB 3.44Å; N457-H461 PolarHBondContact O-N 3.19Å
458	L	78.6	Confident	73.2	Confident	23 Å²	23	75.1 Å²	75.1	12%	0.12	41%	0.405	C	S	.	.	H	α-helix	trans	-58.6	-48	170.8	175.4	60.4	0	0	0	110.9	H443 C445 F452 Q454 V455 A460 H461 L462	H443-L458 HydrophobicContact CB-CB 4.2Å; H443-L458 HydrophobicContact CB-CD2 3.85Å; C445-L458 HydrophobicContact CB-CD1 3.83Å; F452-L458 HydrophobicContact CB-CB 4.12Å; F452-L458 HydrophobicContact CD2-CB 4.07Å; F452-L458 HydrophobicContact CD2-CD1 3.82Å; F452-L458 HydrophobicContact CE2-CD1 4.16Å; F452-L458 HydrophobicContact CG-CB 4.22Å; Q454-L458 PolarHBondContact O-N 2.86Å; V455-L458 PolarHBondContact O-N 2.74Å; L458-A460 PolarHBondContact O-N 3.36Å; L458-H461 CarbonylContact O-C 3.39Å; L458-H461 WeakPolarHBondContact O-CA 3.46Å; L458-H461 WeakPolarHBondContact O-CB 3.45Å; L458-H461 PolarHBondContact O-N 3.38Å; L458-L462 HydrophobicContact CD1-CD1 4.15Å; L458-L462 HydrophobicContact CD1-CD2 4.13Å; L458-L462 HydrophobicContact CD1-CG 3.86Å; L458-L462 HydrophobicContact CD2-CD1 4.49Å; L458-L462 HydrophobicContact CG-CD1 3.93Å; L458-L462 HydrophobicContact CG-CG 4.14Å; L458-L462 WeakPolarHBondContact O-CG 3.42Å; L458-L462 PolarHBondContact O-N 3.19Å
459	K	76.1	Confident	72.2	Confident	150 Å²	150	73.6 Å²	73.6	65%	0.652	40%	0.396	S	S	*	.	H	α-helix	trans	-67	-22.9	179.6	-170.5	164.5	-174.6	166.4	0	113.6	V455 N457	V455-K459 VanDerWaalsContact O-CB 3.29Å; V455-K459 WeakPolarHBondContact O-CB 3.46Å; V455-K459 PolarHBondContact O-N 3.19Å; N457-K459 PolarHBondContact O-N 3.09Å
460	A	73.8	Confident	71.4	Confident	26 Å²	26	72 Å²	72	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-76.5	-37.9	168	0	0	0	0	0	111.9	G456 N457 L458 T481	G456-A460 WeakPolarHBondContact O-CB 3.45Å; G456-A460 PolarHBondContact O-N 3.06Å; N457-A460 PolarHBondContact O-N 2.62Å; L458-A460 PolarHBondContact O-N 3.36Å; A460-T481 WeakPolarHBondContact O-CG2 3.37Å
461	H	77.2	Confident	71	Confident	16 Å²	16	68.8 Å²	68.8	7%	0.074	38%	0.381	C	S	.	.	H	α-helix	trans	-70.2	-39.9	177.6	171.7	58.6	0	0	0	113.7	C445 C448 F452 N457 L458 K463 I464 H465	C445-H461 PolarHBondContact SG-NE2 2.95Å; C448-H461 PolarHBondContact SG-NE2 3.09Å; C448-H461 VanDerWaalsContact SG-NE2 3.35Å; F452-H461 HydrophobicContact CE1-CB 3.93Å; F452-H461 HydrophobicContact CE2-CB 3.89Å; F452-H461 AromaticContact CE2-CD2 3.23Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.48Å; F452-H461 AromaticContact CE2-CG 3.6Å; F452-H461 AromaticContact CE2-NE2 4Å; F452-H461 HydrophobicContact CZ-CB 3.47Å; F452-H461 VanDerWaalsContact CZ-CB 3.47Å; F452-H461 AromaticContact CZ-CD2 3.4Å; F452-H461 WeakPolarHBondContact CZ-CD2 3.45Å; F452-H461 AromaticContact CZ-CG 3.27Å; F452-H461 AromaticContact CZ-ND1 3.9Å; N457-H461 WeakPolarHBondContact O-CB 3.44Å; N457-H461 PolarHBondContact O-N 3.19Å; L458-H461 CarbonylContact O-C 3.39Å; L458-H461 WeakPolarHBondContact O-CA 3.46Å; L458-H461 WeakPolarHBondContact O-CB 3.45Å; L458-H461 PolarHBondContact O-N 3.38Å; H461-K463 PolarHBondContact O-N 3.17Å; H461-I464 WeakPolarHBondContact ND1-CD1 3.46Å; H461-I464 VanDerWaalsContact O-CB 3.29Å; H461-I464 WeakPolarHBondContact O-CB 3.42Å; H461-I464 WeakPolarHBondContact O-CG1 3.46Å; H461-I464 PolarHBondContact O-N 3.34Å; H461-H465 AromaticContact CD2-NE2 3.95Å; H461-H465 AromaticContact CE1-CD2 3.93Å; H461-H465 AromaticContact CE1-NE2 3.3Å; H461-H465 PolarHBondContact CE1-NE2 3.31Å; H461-H465 VanDerWaalsContact CE1-NE2 3.3Å; H461-H465 AromaticContact NE2-CD2 3.61Å; H461-H465 AromaticContact NE2-NE2 2.99Å; H461-H465 PolarHBondContact NE2-NE2 3.31Å
462	L	74.9	Confident	70.9	Confident	51 Å²	51	69.7 Å²	69.7	27%	0.267	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-57.6	-24.5	178.7	-71.5	170.5	0	0	0	113.1	L458 I464 H465 I466	L458-L462 HydrophobicContact CD1-CD1 4.15Å; L458-L462 HydrophobicContact CD1-CD2 4.13Å; L458-L462 HydrophobicContact CD1-CG 3.86Å; L458-L462 HydrophobicContact CD2-CD1 4.49Å; L458-L462 HydrophobicContact CG-CD1 3.93Å; L458-L462 HydrophobicContact CG-CG 4.14Å; L458-L462 WeakPolarHBondContact O-CG 3.42Å; L458-L462 PolarHBondContact O-N 3.19Å; L462-I464 PolarHBondContact O-N 3.47Å; L462-H465 PolarHBondContact O-N 2.99Å; L462-H465 VanDerWaalsContact O-N 3.1Å; L462-I466 PolarHBondContact O-N 3.09Å
463	K	72.6	Confident	71.1	Confident	102 Å²	102	67.6 Å²	67.6	44%	0.443	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-67.1	-8.8	173.1	-58.4	178.5	-176.3	-179.4	0	114.6	H461	H461-K463 PolarHBondContact O-N 3.17Å
464	I	69.6	Low	71.2	Confident	53 Å²	53	76.2 Å²	76.2	27%	0.272	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-85.8	-27.7	172.9	-56.4	166.1	0	0	0	110.7	H461 L462 Q479 T481	H461-I464 WeakPolarHBondContact ND1-CD1 3.46Å; H461-I464 VanDerWaalsContact O-CB 3.29Å; H461-I464 WeakPolarHBondContact O-CB 3.42Å; H461-I464 WeakPolarHBondContact O-CG1 3.46Å; H461-I464 PolarHBondContact O-N 3.34Å; L462-I464 PolarHBondContact O-N 3.47Å; I464-Q479 HydrophobicContact CG2-CB 4.19Å; I464-Q479 PolarHBondContact O-NE2 2.68Å; I464-Q479 PolarHBondContact O-OE1 2.72Å; I464-T481 HydrophobicContact CD1-CG2 3.46Å; I464-T481 VanDerWaalsContact CD1-CG2 3.46Å; I464-T481 HydrophobicContact CG1-CG2 3.81Å
465	H	67.6	Low	71.5	Confident	68 Å²	68	80.7 Å²	80.7	32%	0.315	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-22.2	-176.9	-66.7	-67	0	0	0	113.2	C445 H447 C448 H461 L462 A467	C445-H465 VanDerWaalsContact SG-CD2 3.54Å; C445-H465 PolarHBondContact SG-NE2 3.39Å; C445-H465 VanDerWaalsContact SG-NE2 3.44Å; H447-H465 HydrophobicContact CB-CB 4.02Å; C448-H465 VanDerWaalsContact SG-CE1 3.55Å; C448-H465 PolarHBondContact SG-NE2 3.3Å; H461-H465 AromaticContact CD2-NE2 3.95Å; H461-H465 AromaticContact CE1-CD2 3.93Å; H461-H465 AromaticContact CE1-NE2 3.3Å; H461-H465 PolarHBondContact CE1-NE2 3.31Å; H461-H465 VanDerWaalsContact CE1-NE2 3.3Å; H461-H465 AromaticContact NE2-CD2 3.61Å; H461-H465 AromaticContact NE2-NE2 2.99Å; H461-H465 PolarHBondContact NE2-NE2 3.31Å; L462-H465 PolarHBondContact O-N 2.99Å; L462-H465 VanDerWaalsContact O-N 3.1Å; H465-A467 PolarHBondContact O-N 2.85Å
466	I	71.3	Confident	71.7	Confident	105 Å²	105	78.8 Å²	78.8	54%	0.538	41%	0.414	S	S	.	.	S	Bend	trans	-70.7	114.3	166.9	-60.6	169	0	0	0	107.2	L462 D468 G469 Q479	L462-I466 PolarHBondContact O-N 3.09Å; I466-D468 PolarHBondContact O-N 2.79Å; I466-D468 VanDerWaalsContact O-N 3.13Å; I466-G469 PolarHBondContact O-N 2.75Å; I466-Q479 PolarHBondContact O-OE1 2.84Å
467	A	55.4	Low	71.8	Confident	84 Å²	84	77.9 Å²	77.9	69%	0.694	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.6	-173.9	0	0	0	0	0	114.2	H465 G469	H465-A467 PolarHBondContact O-N 2.85Å; A467-G469 VanDerWaalsContact C-N 3.32Å
468	D	54.3	Low	71.7	Confident	147 Å²	147	80.6 Å²	80.6	79%	0.786	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	44.4	171.7	-161.8	23.6	0	0	0	111.7	I466	I466-D468 PolarHBondContact O-N 2.79Å; I466-D468 VanDerWaalsContact O-N 3.13Å
469	G	56.8	Low	71.7	Confident	6 Å²	6	82.2 Å²	82.2	6%	0.062	42%	0.421	C	S	.	.			trans	-63.1	122.6	175.2	0	0	0	0	0	110.3	I466 A467 L471 K472	I466-G469 PolarHBondContact O-N 2.75Å; A467-G469 VanDerWaalsContact C-N 3.32Å; G469-L471 PolarHBondContact O-N 3.11Å; G469-K472 PolarHBondContact O-N 3.16Å
470	P	59.7	Low	71.7	Confident	113 Å²	113	77.4 Å²	77.4	73%	0.734	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	14	-165	28.9	-37.9	0	0	0	115.3
471	L	68.4	Low	71.6	Confident	43 Å²	43	78 Å²	78	23%	0.225	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	46.1	-174.6	-66.8	173.6	0	0	0	110.9	G469 F480 T482 L486	G469-L471 PolarHBondContact O-N 3.11Å; L471-F480 WeakPolarHBondContact CB-O 3.29Å; L471-F480 PolarHBondContact O-N 3.22Å; L471-F480 VanDerWaalsContact O-N 3.1Å; L471-T482 VanDerWaalsContact CD1-C 3.48Å; L471-L486 HydrophobicContact CB-CD2 4.15Å; L471-L486 HydrophobicContact CD2-CD2 3.93Å
472	K	76.6	Confident	71.4	Confident	117 Å²	117	80.2 Å²	80.2	51%	0.509	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-82.6	134.8	171.3	-171.6	175.6	-179.6	177	0	110.7	G469 R474 G477 Q479	G469-K472 PolarHBondContact O-N 3.16Å; K472-R474 PolarHBondContact O-N 3.01Å; K472-G477 WeakPolarHBondContact CG-O 3.2Å; K472-Q479 HydrophobicContact CG-CG 4.35Å
473	C	80.9	Confident	71.4	Confident	1 Å²	1	81.7 Å²	81.7	1%	0.007	43%	0.43	C	S	.	.			trans	-68.4	126.8	166.5	176.7	0	0	0	0	109.5	E475 G477 K478 F480 L486 H489	C473-E475 VanDerWaalsContact C-N 3.32Å; C473-E475 PolarHBondContact O-N 2.97Å; C473-E475 PolarHBondContact SG-N 2.92Å; C473-E475 VanDerWaalsContact SG-N 3.44Å; C473-G477 VanDerWaalsContact O-CA 3.23Å; C473-G477 WeakPolarHBondContact O-CA 3.38Å; C473-G477 PolarHBondContact O-N 3.4Å; C473-K478 PolarHBondContact N-O 2.89Å; C473-F480 HydrophobicContact CB-CE2 4.36Å; C473-L486 HydrophobicContact CB-CD1 4.06Å; C473-H489 WeakPolarHBondContact CB-NE2 3.44Å; C473-H489 PolarHBondContact SG-NE2 3.35Å; C473-H489 VanDerWaalsContact SG-NE2 3.44Å
474	R	77.9	Confident	71.7	Confident	248 Å²	248	79.3 Å²	79.3	94%	0.936	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.4	178.5	-71.5	-174.7	173.1	-172.8	-3.3	113.1	K472	K472-R474 PolarHBondContact O-N 3.01Å
475	E	80.1	Confident	72.2	Confident	131 Å²	131	79.4 Å²	79.4	61%	0.612	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-35.5	-171.7	-67.4	174.4	-116	0	0	114.6	C473 H493	C473-E475 VanDerWaalsContact C-N 3.32Å; C473-E475 PolarHBondContact O-N 2.97Å; C473-E475 PolarHBondContact SG-N 2.92Å; C473-E475 VanDerWaalsContact SG-N 3.44Å; E475-H493 VanDerWaalsContact CB-CE1 3.45Å; E475-H493 WeakPolarHBondContact CB-CE1 3.34Å; E475-H493 VanDerWaalsContact CB-ND1 3.34Å; E475-H493 WeakPolarHBondContact CB-ND1 3Å; E475-H493 VanDerWaalsContact CD-ND1 3.32Å; E475-H493 WeakPolarHBondContact OE1-CB 3.43Å; E475-H493 IonicContact OE1-CG 3.08Å; E475-H493 IonicContact OE1-ND1 2.65Å; E475-H493 WeakPolarHBondContact OE2-CB 3.32Å; E475-H493 IonicContact OE2-CE1 2.7Å; E475-H493 IonicContact OE2-CG 3.99Å; E475-H493 IonicContact OE2-ND1 3.86Å; E475-H493 PolarHBondContact OE2-ND1 3.47Å
476	C	80.4	Confident	72.8	Confident	49 Å²	49	77.2 Å²	77.2	33%	0.331	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	10.6	177.5	71.4	0	0	0	0	114.6	K478 H489 H493	C476-K478 PolarHBondContact O-N 3.21Å; C476-K478 VanDerWaalsContact SG-CD 3.57Å; C476-H489 PolarHBondContact SG-CE1 2.83Å; C476-H489 PolarHBondContact SG-NE2 3.48Å; C476-H493 PolarHBondContact SG-NE2 3.09Å
477	G	77.6	Confident	73.3	Confident	34 Å²	34	79.6 Å²	79.6	35%	0.351	43%	0.433	S	S	.	.			trans	67.8	-5.5	175.1	0	0	0	0	0	116.4	K472 C473	K472-G477 WeakPolarHBondContact CG-O 3.2Å; C473-G477 VanDerWaalsContact O-CA 3.23Å; C473-G477 WeakPolarHBondContact O-CA 3.38Å; C473-G477 PolarHBondContact O-N 3.4Å
478	K	76.6	Confident	74.5	Confident	125 Å²	125	81 Å²	81	54%	0.543	42%	0.42	S	S	.	.			trans	-64.3	137.2	-176.5	-68.7	175.1	-169	164.7	0	111.7	C473 C476 F480	C473-K478 PolarHBondContact N-O 2.89Å; C476-K478 PolarHBondContact O-N 3.21Å; C476-K478 VanDerWaalsContact SG-CD 3.57Å; K478-F480 HydrophobicContact CB-CE2 3.71Å; K478-F480 HydrophobicContact CB-CZ 3.96Å; K478-F480 WeakPolarHBondContact O-CD2 3.36Å; K478-F480 VanDerWaalsContact O-CE2 3.31Å; K478-F480 WeakPolarHBondContact O-CE2 3.17Å
479	Q	77.1	Confident	75.9	Confident	57 Å²	57	74.7 Å²	74.7	27%	0.266	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-101.2	143.1	-177.7	-63.2	-165.8	68.3	0	0	112.1	I464 I466 K472	I464-Q479 HydrophobicContact CG2-CB 4.19Å; I464-Q479 PolarHBondContact O-NE2 2.68Å; I464-Q479 PolarHBondContact O-OE1 2.72Å; I466-Q479 PolarHBondContact O-OE1 2.84Å; K472-Q479 HydrophobicContact CG-CG 4.35Å
480	F	76.4	Confident	77.2	Confident	49 Å²	49	77.4 Å²	77.4	22%	0.215	40%	0.398	C	S	.	.			trans	-129.6	140.5	-176.7	-63.4	-89.9	0	0	0	112.1	L471 C473 K478 T482 N485 L486 H489	L471-F480 WeakPolarHBondContact CB-O 3.29Å; L471-F480 PolarHBondContact O-N 3.22Å; L471-F480 VanDerWaalsContact O-N 3.1Å; C473-F480 HydrophobicContact CB-CE2 4.36Å; K478-F480 HydrophobicContact CB-CE2 3.71Å; K478-F480 HydrophobicContact CB-CZ 3.96Å; K478-F480 WeakPolarHBondContact O-CD2 3.36Å; K478-F480 VanDerWaalsContact O-CE2 3.31Å; K478-F480 WeakPolarHBondContact O-CE2 3.17Å; F480-T482 PolarHBondContact O-N 3.32Å; F480-N485 HydrophobicContact CB-CB 4.46Å; F480-N485 HydrophobicContact CD1-CB 4.08Å; F480-L486 HydrophobicContact CB-CB 4.19Å; F480-L486 HydrophobicContact CD2-CB 4.26Å; F480-L486 HydrophobicContact CD2-CD1 3.77Å; F480-L486 HydrophobicContact CE2-CD1 4.14Å; F480-L486 HydrophobicContact CG-CB 4.28Å; F480-H489 HydrophobicContact CE1-CB 3.85Å; F480-H489 HydrophobicContact CE2-CB 4.18Å; F480-H489 AromaticContact CE2-CD2 3.11Å; F480-H489 WeakPolarHBondContact CE2-CD2 3.3Å; F480-H489 AromaticContact CE2-CG 3.76Å; F480-H489 AromaticContact CE2-NE2 3.78Å; F480-H489 HydrophobicContact CZ-CB 3.6Å; F480-H489 AromaticContact CZ-CD2 3.15Å; F480-H489 WeakPolarHBondContact CZ-CD2 2.95Å; F480-H489 AromaticContact CZ-CG 3.28Å; F480-H489 AromaticContact CZ-NE2 3.81Å
481	T	72.6	Confident	78.4	Confident	40 Å²	40	73.8 Å²	73.8	25%	0.245	37%	0.37	C	S	.	.	S	Bend	trans	-67.7	-19.1	-179.9	59.9	0	0	0	0	114.2	A460 I464	A460-T481 WeakPolarHBondContact O-CG2 3.37Å; I464-T481 HydrophobicContact CD1-CG2 3.46Å; I464-T481 VanDerWaalsContact CD1-CG2 3.46Å; I464-T481 HydrophobicContact CG1-CG2 3.81Å
482	T	73.2	Confident	79	Confident	61 Å²	61	77.7 Å²	77.7	37%	0.374	39%	0.39	S	S	.	.	S	Bend	trans	-154.9	137.9	-160.4	31.2	0	0	0	0	111.3	L471 F480 G484 N485 L486	L471-T482 VanDerWaalsContact CD1-C 3.48Å; F480-T482 PolarHBondContact O-N 3.32Å; T482-G484 PolarHBondContact O-N 3.15Å; T482-N485 WeakPolarHBondContact O-CB 3.21Å; T482-N485 PolarHBondContact O-N 3.19Å; T482-N485 VanDerWaalsContact O-N 3.07Å; T482-N485 PolarHBondContact OG1-ND2 2.89Å; T482-L486 PolarHBondContact O-N 3.49Å
483	S	74.8	Confident	79.2	Confident	83 Å²	83	75 Å²	75	58%	0.58	38%	0.379	S	S	*	.	H	α-helix	trans	-66.1	-34.7	-170.9	51.1	0	0	0	0	113.5	N485 L486 K487	S483-N485 VanDerWaalsContact C-N 3.28Å; S483-N485 PolarHBondContact O-N 2.96Å; S483-L486 PolarHBondContact O-N 3.21Å; S483-K487 PolarHBondContact O-N 3.08Å
484	G	78	Confident	79.3	Confident	51 Å²	51	78.1 Å²	78.1	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-33	172.8	0	0	0	0	0	113.3	T482 R488	T482-G484 PolarHBondContact O-N 3.15Å; G484-R488 WeakPolarHBondContact O-CB 3.45Å; G484-R488 PolarHBondContact O-N 2.81Å
485	N	79.9	Confident	79.4	Confident	55 Å²	55	68 Å²	68	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-72.3	-39	174.3	-79.7	-35.9	0	0	0	111.8	F480 T482 S483 R488 H489	F480-N485 HydrophobicContact CB-CB 4.46Å; F480-N485 HydrophobicContact CD1-CB 4.08Å; T482-N485 WeakPolarHBondContact O-CB 3.21Å; T482-N485 PolarHBondContact O-N 3.19Å; T482-N485 VanDerWaalsContact O-N 3.07Å; T482-N485 PolarHBondContact OG1-ND2 2.89Å; S483-N485 VanDerWaalsContact C-N 3.28Å; S483-N485 PolarHBondContact O-N 2.96Å; N485-R488 PolarHBondContact OD1-NH2 2.97Å; N485-H489 WeakPolarHBondContact O-CB 3.24Å; N485-H489 PolarHBondContact O-N 3.17Å
486	L	81.9	Confident	79.5	Confident	22 Å²	22	66.7 Å²	66.7	12%	0.115	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-50.4	170.8	177.8	61.4	0	0	0	111.4	L471 C473 F480 T482 S483 R488 H489 L490	L471-L486 HydrophobicContact CB-CD2 4.15Å; L471-L486 HydrophobicContact CD2-CD2 3.93Å; C473-L486 HydrophobicContact CB-CD1 4.06Å; F480-L486 HydrophobicContact CB-CB 4.19Å; F480-L486 HydrophobicContact CD2-CB 4.26Å; F480-L486 HydrophobicContact CD2-CD1 3.77Å; F480-L486 HydrophobicContact CE2-CD1 4.14Å; F480-L486 HydrophobicContact CG-CB 4.28Å; T482-L486 PolarHBondContact O-N 3.49Å; S483-L486 PolarHBondContact O-N 3.21Å; L486-R488 VanDerWaalsContact C-N 3.33Å; L486-R488 PolarHBondContact O-N 3.09Å; L486-H489 CarbonylContact O-C 3.46Å; L486-H489 WeakPolarHBondContact O-CA 3.45Å; L486-H489 WeakPolarHBondContact O-CB 2.93Å; L486-H489 PolarHBondContact O-N 3.07Å; L486-L490 HydrophobicContact CD1-CD1 4.33Å; L486-L490 HydrophobicContact CD1-CD2 4.4Å; L486-L490 HydrophobicContact CD1-CG 4.14Å; L486-L490 HydrophobicContact CG-CD1 4.14Å; L486-L490 HydrophobicContact CG-CG 4.39Å; L486-L490 WeakPolarHBondContact O-CG 3.27Å; L486-L490 PolarHBondContact O-N 3.44Å
487	K	80.9	Confident	79.7	Confident	156 Å²	156	69.2 Å²	69.2	68%	0.678	37%	0.373	S	S	*	.	H	α-helix	trans	-59.8	-41	179.1	-173.8	170.9	-178	176.6	0	112	S483 L490	S483-K487 PolarHBondContact O-N 3.08Å; K487-L490 PolarHBondContact O-N 3.34Å
488	R	81.2	Confident	80.1	Confident	112 Å²	112	71.1 Å²	71.1	42%	0.423	38%	0.379	S	S	.	.	H	α-helix	trans	-60.3	-43.2	171.7	165.2	166.1	53.5	175.9	-2.8	112.1	G484 N485 L486 R491 D510	G484-R488 WeakPolarHBondContact O-CB 3.45Å; G484-R488 PolarHBondContact O-N 2.81Å; N485-R488 PolarHBondContact OD1-NH2 2.97Å; L486-R488 VanDerWaalsContact C-N 3.33Å; L486-R488 PolarHBondContact O-N 3.09Å; R488-R491 PolarHBondContact O-N 3.42Å; R488-D510 WeakPolarHBondContact CD-OD2 3.32Å; R488-D510 IonicContact CZ-OD2 4Å; R488-D510 IonicContact NE-OD2 3.63Å; R488-D510 IonicContact NH1-OD2 3.34Å; R488-D510 PolarHBondContact NH1-OD2 2.85Å
489	H	83.9	Confident	80.5	Confident	15 Å²	15	68.5 Å²	68.5	7%	0.069	37%	0.367	C	S	.	.	H	α-helix	trans	-68.3	-36	179.9	163.4	52.3	0	0	0	112.8	C473 C476 F480 N485 L486 R491 I492 H493	C473-H489 WeakPolarHBondContact CB-NE2 3.44Å; C473-H489 PolarHBondContact SG-NE2 3.35Å; C473-H489 VanDerWaalsContact SG-NE2 3.44Å; C476-H489 PolarHBondContact SG-CE1 2.83Å; C476-H489 PolarHBondContact SG-NE2 3.48Å; F480-H489 HydrophobicContact CE1-CB 3.85Å; F480-H489 HydrophobicContact CE2-CB 4.18Å; F480-H489 AromaticContact CE2-CD2 3.11Å; F480-H489 WeakPolarHBondContact CE2-CD2 3.3Å; F480-H489 AromaticContact CE2-CG 3.76Å; F480-H489 AromaticContact CE2-NE2 3.78Å; F480-H489 HydrophobicContact CZ-CB 3.6Å; F480-H489 AromaticContact CZ-CD2 3.15Å; F480-H489 WeakPolarHBondContact CZ-CD2 2.95Å; F480-H489 AromaticContact CZ-CG 3.28Å; F480-H489 AromaticContact CZ-NE2 3.81Å; N485-H489 WeakPolarHBondContact O-CB 3.24Å; N485-H489 PolarHBondContact O-N 3.17Å; L486-H489 CarbonylContact O-C 3.46Å; L486-H489 WeakPolarHBondContact O-CA 3.45Å; L486-H489 WeakPolarHBondContact O-CB 2.93Å; L486-H489 PolarHBondContact O-N 3.07Å; H489-R491 PolarHBondContact O-N 3.49Å; H489-I492 VanDerWaalsContact O-CB 3.23Å; H489-I492 WeakPolarHBondContact O-CB 3.41Å; H489-I492 WeakPolarHBondContact O-CG1 3.41Å; H489-I492 PolarHBondContact O-N 2.99Å; H489-H493 AromaticContact CE1-CD2 3.54Å; H489-H493 AromaticContact CE1-NE2 3.39Å; H489-H493 PolarHBondContact CE1-NE2 3.24Å; H489-H493 AromaticContact NE2-CD2 3.86Å; H489-H493 AromaticContact NE2-NE2 3.68Å
490	L	82.8	Confident	81	Confident	63 Å²	63	68.6 Å²	68.6	33%	0.33	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-24.4	176.6	-69.1	171.6	0	0	0	112.8	L486 K487 I492 H493 S494	L486-L490 HydrophobicContact CD1-CD1 4.33Å; L486-L490 HydrophobicContact CD1-CD2 4.4Å; L486-L490 HydrophobicContact CD1-CG 4.14Å; L486-L490 HydrophobicContact CG-CD1 4.14Å; L486-L490 HydrophobicContact CG-CG 4.39Å; L486-L490 WeakPolarHBondContact O-CG 3.27Å; L486-L490 PolarHBondContact O-N 3.44Å; K487-L490 PolarHBondContact O-N 3.34Å; L490-I492 PolarHBondContact O-N 2.97Å; L490-H493 WeakPolarHBondContact O-CA 3.45Å; L490-H493 VanDerWaalsContact O-CB 3.3Å; L490-H493 WeakPolarHBondContact O-CB 3.17Å; L490-H493 PolarHBondContact O-N 2.9Å; L490-S494 PolarHBondContact O-N 3.49Å; L490-S494 PolarHBondContact O-OG 3.3Å
491	R	84.5	Confident	81.7	Confident	37 Å²	37	66.3 Å²	66.3	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-66.6	-14.1	170.7	-63	-167.2	-63.6	-147.9	0.8	114.5	R488 H489 H493 G495 E496 Y499 A509	R488-R491 PolarHBondContact O-N 3.42Å; H489-R491 PolarHBondContact O-N 3.49Å; R491-H493 VanDerWaalsContact C-N 3.3Å; R491-G495 CarbonylContact O-C 3.24Å; R491-G495 PolarHBondContact O-N 3.48Å; R491-E496 HydrophobicContact CB-CB 4.25Å; R491-E496 HydrophobicContact CG-CB 4.08Å; R491-Y499 PolarHBondContact NH1-OH 3.38Å; R491-Y499 VanDerWaalsContact NH1-OH 3.09Å; R491-A509 HydrophobicContact CB-CB 4.2Å; R491-A509 VanDerWaalsContact CZ-O 3.24Å; R491-A509 PolarHBondContact NE-O 2.98Å; R491-A509 VanDerWaalsContact NE-O 3.13Å; R491-A509 PolarHBondContact NH2-O 3.36Å
492	I	82.2	Confident	82.4	Confident	125 Å²	125	70.4 Å²	70.4	64%	0.641	38%	0.38	S	S	*	.	H	α-helix	trans	-74.3	-28.6	168.4	-54.5	179	0	0	0	110.3	H489 L490	H489-I492 VanDerWaalsContact O-CB 3.23Å; H489-I492 WeakPolarHBondContact O-CB 3.41Å; H489-I492 WeakPolarHBondContact O-CG1 3.41Å; H489-I492 PolarHBondContact O-N 2.99Å; L490-I492 PolarHBondContact O-N 2.97Å
493	H	81.4	Confident	83	Confident	61 Å²	61	72.5 Å²	72.5	28%	0.282	39%	0.385	S	S	.	.	H	α-helix	trans	-88.6	-51.4	-177.3	-78.7	-89.6	0	0	0	112.4	E475 C476 H489 L490 R491 G495	E475-H493 VanDerWaalsContact CB-CE1 3.45Å; E475-H493 WeakPolarHBondContact CB-CE1 3.34Å; E475-H493 VanDerWaalsContact CB-ND1 3.34Å; E475-H493 WeakPolarHBondContact CB-ND1 3Å; E475-H493 VanDerWaalsContact CD-ND1 3.32Å; E475-H493 WeakPolarHBondContact OE1-CB 3.43Å; E475-H493 IonicContact OE1-CG 3.08Å; E475-H493 IonicContact OE1-ND1 2.65Å; E475-H493 WeakPolarHBondContact OE2-CB 3.32Å; E475-H493 IonicContact OE2-CE1 2.7Å; E475-H493 IonicContact OE2-CG 3.99Å; E475-H493 IonicContact OE2-ND1 3.86Å; E475-H493 PolarHBondContact OE2-ND1 3.47Å; C476-H493 PolarHBondContact SG-NE2 3.09Å; H489-H493 AromaticContact CE1-CD2 3.54Å; H489-H493 AromaticContact CE1-NE2 3.39Å; H489-H493 PolarHBondContact CE1-NE2 3.24Å; H489-H493 AromaticContact NE2-CD2 3.86Å; H489-H493 AromaticContact NE2-NE2 3.68Å; L490-H493 WeakPolarHBondContact O-CA 3.45Å; L490-H493 VanDerWaalsContact O-CB 3.3Å; L490-H493 WeakPolarHBondContact O-CB 3.17Å; L490-H493 PolarHBondContact O-N 2.9Å; R491-H493 VanDerWaalsContact C-N 3.3Å; H493-G495 PolarHBondContact O-N 3Å
494	S	81.7	Confident	83.6	Confident	66 Å²	66	71.3 Å²	71.3	46%	0.462	38%	0.376	S	S	.	.	S	Bend	trans	-71.2	-9.8	174	61.7	0	0	0	0	113.8	L490 E496	L490-S494 PolarHBondContact O-N 3.49Å; L490-S494 PolarHBondContact O-OG 3.3Å; S494-E496 VanDerWaalsContact CB-OE1 3.23Å; S494-E496 WeakPolarHBondContact CB-OE1 3.49Å; S494-E496 PolarHBondContact O-N 2.93Å; S494-E496 VanDerWaalsContact O-N 3.15Å; S494-E496 WeakPolarHBondContact OG-CG 3.47Å; S494-E496 PolarHBondContact OG-OE1 3.22Å
495	G	80.6	Confident	84.1	Confident	37 Å²	37	75.2 Å²	75.2	38%	0.381	38%	0.381	S	S	.	.			trans	73.2	-3.8	-178.9	0	0	0	0	0	115	R491 H493 K497	R491-G495 CarbonylContact O-C 3.24Å; R491-G495 PolarHBondContact O-N 3.48Å; H493-G495 PolarHBondContact O-N 3Å; G495-K497 WeakPolarHBondContact O-CE 3.5Å; G495-K497 WeakPolarHBondContact O-CG 3.32Å; G495-K497 PolarHBondContact O-N 3.31Å
496	E	82.1	Confident	84.3	Confident	102 Å²	102	80.1 Å²	80.1	48%	0.477	40%	0.395	S	S	.	.			trans	-50.9	125.9	178.4	-76.3	164.4	-123.9	0	0	112.6	R491 S494	R491-E496 HydrophobicContact CB-CB 4.25Å; R491-E496 HydrophobicContact CG-CB 4.08Å; S494-E496 VanDerWaalsContact CB-OE1 3.23Å; S494-E496 WeakPolarHBondContact CB-OE1 3.49Å; S494-E496 PolarHBondContact O-N 2.93Å; S494-E496 VanDerWaalsContact O-N 3.15Å; S494-E496 WeakPolarHBondContact OG-CG 3.47Å; S494-E496 PolarHBondContact OG-OE1 3.22Å
497	K	85.1	Confident	84.6	Confident	103 Å²	103	84.4 Å²	84.4	45%	0.448	42%	0.415	S	S	.	.			trans	-130.3	73.4	177.8	-69.4	156.3	-164.9	156.2	0	110.9	G495 Y499 Q507 F508 A509	G495-K497 WeakPolarHBondContact O-CE 3.5Å; G495-K497 WeakPolarHBondContact O-CG 3.32Å; G495-K497 PolarHBondContact O-N 3.31Å; K497-Y499 PolarHBondContact O-N 3.19Å; K497-Q507 HydrophobicContact CB-CB 3.5Å; K497-Q507 HydrophobicContact CD-CB 4.09Å; K497-Q507 HydrophobicContact CG-CB 4.37Å; K497-F508 CarbonylContact C-O 3.5Å; K497-F508 VanDerWaalsContact CA-O 3.24Å; K497-F508 WeakPolarHBondContact CA-O 3.23Å; K497-A509 HydrophobicContact CG-CB 4.26Å
498	P	84.8	Confident	84.9	Confident	73 Å²	73	78.6 Å²	78.6	47%	0.474	39%	0.39	S	S	.	.			trans	-64.7	-14.6	-171.9	-22.7	35.1	0	0	0	115.1
499	Y	86.1	Confident	85	Confident	71 Å²	71	74.6 Å²	74.6	28%	0.278	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	100.6	-172.3	-49.1	-70.7	0	0	0	110.2	R491 K497 Q507 F508 P511	R491-Y499 PolarHBondContact NH1-OH 3.38Å; R491-Y499 VanDerWaalsContact NH1-OH 3.09Å; K497-Y499 PolarHBondContact O-N 3.19Å; Y499-Q507 CarbonylContact O-C 3.57Å; Y499-F508 WeakPolarHBondContact CD2-O 3.35Å; Y499-F508 PolarHBondContact N-O 3.07Å; Y499-F508 PolarHBondContact O-N 3.43Å; Y499-P511 HydrophobicContact CD1-CG 4.15Å; Y499-P511 HydrophobicContact CD2-CG 4.23Å; Y499-P511 HydrophobicContact CE1-CG 3.77Å; Y499-P511 HydrophobicContact CE2-CG 3.86Å; Y499-P511 HydrophobicContact CG-CG 4.37Å
500	V	87.5	Confident	84.9	Confident	58 Å²	58	75.7 Å²	75.7	35%	0.352	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.5	-178.5	-166.4	0	0	0	0	110.4	Q505 Q507 L514	V500-Q505 VanDerWaalsContact CG1-OE1 3.29Å; V500-Q507 HydrophobicContact CG1-CG 4.42Å; V500-Q507 HydrophobicContact CG2-CG 4.24Å; V500-L514 WeakPolarHBondContact O-CD2 3.3Å
501	C	90.8	Very high	84.9	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.007	39%	0.39	C	S	.	.			trans	-90.6	111.5	174.5	-172.2	0	0	0	0	111.9	H503 C504 Q505 R506 F508 L514 H517	C501-H503 PolarHBondContact O-N 3.24Å; C501-C504 PolarHBondContact O-N 3.32Å; C501-C504 VanDerWaalsContact O-N 3.08Å; C501-Q505 WeakPolarHBondContact O-CA 3.37Å; C501-Q505 PolarHBondContact O-N 3.25Å; C501-R506 WeakPolarHBondContact CB-O 3.49Å; C501-R506 PolarHBondContact N-O 2.94Å; C501-F508 HydrophobicContact CB-CE2 4.21Å; C501-L514 HydrophobicContact CB-CD1 3.52Å; C501-H517 VanDerWaalsContact SG-CD2 3.53Å
502	I	87.3	Confident	84.8	Confident	127 Å²	127	75.5 Å²	75.5	65%	0.651	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-33.4	-179.9	62.7	177.7	0	0	0	114.6
503	H	86	Confident	85	Confident	104 Å²	104	71 Å²	71	48%	0.481	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.2	-175.8	-57.8	-60.2	0	0	0	115	C501 H521	C501-H503 PolarHBondContact O-N 3.24Å; H503-H521 HydrophobicContact CB-CB 4.18Å; H503-H521 AromaticContact CD2-CD2 3.78Å; H503-H521 AromaticContact CD2-CG 3.88Å
504	C	86.9	Confident	85.3	Confident	58 Å²	58	69.4 Å²	69.4	39%	0.392	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.2	12.5	-176.7	69.1	0	0	0	0	115.1	C501 R506 H517 H521	C501-C504 PolarHBondContact O-N 3.32Å; C501-C504 VanDerWaalsContact O-N 3.08Å; C504-R506 PolarHBondContact O-N 3.49Å; C504-R506 VanDerWaalsContact SG-CB 3.56Å; C504-H517 PolarHBondContact SG-NE2 3.24Å; C504-H521 PolarHBondContact SG-NE2 2.9Å; C504-H521 VanDerWaalsContact SG-NE2 3.39Å
505	Q	88.1	Confident	85.5	Confident	133 Å²	133	71.8 Å²	71.8	62%	0.621	38%	0.379	S	S	*	.			trans	53	17.3	-179.4	-54.6	-57.2	-20.3	0	0	115.8	V500 C501	V500-Q505 VanDerWaalsContact CG1-OE1 3.29Å; C501-Q505 WeakPolarHBondContact O-CA 3.37Å; C501-Q505 PolarHBondContact O-N 3.25Å
506	R	85.4	Confident	85.7	Confident	159 Å²	159	75.3 Å²	75.3	60%	0.6	38%	0.381	S	S	*	.			trans	-78	128.1	179.6	-170.5	172.5	-178	161.5	3.4	110.7	C501 C504 F508	C501-R506 WeakPolarHBondContact CB-O 3.49Å; C501-R506 PolarHBondContact N-O 2.94Å; C504-R506 PolarHBondContact O-N 3.49Å; C504-R506 VanDerWaalsContact SG-CB 3.56Å; R506-F508 HydrophobicContact CB-CE2 4.06Å; R506-F508 HydrophobicContact CB-CZ 4.4Å; R506-F508 HydrophobicContact CG-CE2 3.92Å; R506-F508 HydrophobicContact CG-CZ 3.88Å; R506-F508 VanDerWaalsContact O-CD2 3.31Å; R506-F508 WeakPolarHBondContact O-CD2 3.37Å; R506-F508 WeakPolarHBondContact O-CE2 3.34Å
507	Q	87.9	Confident	85.9	Confident	112 Å²	112	71.4 Å²	71.4	52%	0.523	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	144.4	-173.2	-50.3	-179.5	-15.7	0	0	113	K497 Y499 V500	K497-Q507 HydrophobicContact CB-CB 3.5Å; K497-Q507 HydrophobicContact CD-CB 4.09Å; K497-Q507 HydrophobicContact CG-CB 4.37Å; Y499-Q507 CarbonylContact O-C 3.57Å; V500-Q507 HydrophobicContact CG1-CG 4.42Å; V500-Q507 HydrophobicContact CG2-CG 4.24Å
508	F	86.1	Confident	86	Confident	34 Å²	34	67.9 Å²	67.9	15%	0.149	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.7	-178.4	-62.9	-89.7	0	0	0	113	K497 Y499 C501 R506 A513 L514 H517	K497-F508 CarbonylContact C-O 3.5Å; K497-F508 VanDerWaalsContact CA-O 3.24Å; K497-F508 WeakPolarHBondContact CA-O 3.23Å; Y499-F508 WeakPolarHBondContact CD2-O 3.35Å; Y499-F508 PolarHBondContact N-O 3.07Å; Y499-F508 PolarHBondContact O-N 3.43Å; C501-F508 HydrophobicContact CB-CE2 4.21Å; R506-F508 HydrophobicContact CB-CE2 4.06Å; R506-F508 HydrophobicContact CB-CZ 4.4Å; R506-F508 HydrophobicContact CG-CE2 3.92Å; R506-F508 HydrophobicContact CG-CZ 3.88Å; R506-F508 VanDerWaalsContact O-CD2 3.31Å; R506-F508 WeakPolarHBondContact O-CD2 3.37Å; R506-F508 WeakPolarHBondContact O-CE2 3.34Å; F508-A513 HydrophobicContact CB-CB 4.34Å; F508-A513 HydrophobicContact CD1-CB 4Å; F508-L514 HydrophobicContact CB-CB 4.24Å; F508-L514 HydrophobicContact CD2-CB 4.15Å; F508-L514 HydrophobicContact CD2-CD1 3.9Å; F508-L514 HydrophobicContact CE2-CD1 4.21Å; F508-L514 HydrophobicContact CG-CB 4.3Å; F508-H517 HydrophobicContact CE1-CB 3.95Å; F508-H517 HydrophobicContact CE2-CB 3.95Å; F508-H517 AromaticContact CE2-CD2 3.31Å; F508-H517 WeakPolarHBondContact CE2-CD2 3.49Å; F508-H517 AromaticContact CE2-CG 3.73Å; F508-H517 HydrophobicContact CZ-CB 3.47Å; F508-H517 VanDerWaalsContact CZ-CB 3.47Å; F508-H517 AromaticContact CZ-CD2 3.32Å; F508-H517 WeakPolarHBondContact CZ-CD2 3.45Å; F508-H517 AromaticContact CZ-CG 3.28Å; F508-H517 AromaticContact CZ-ND1 3.98Å
509	A	83.1	Confident	86.1	Confident	28 Å²	28	67.7 Å²	67.7	23%	0.231	34%	0.34	C	S	.	.	S	Bend	trans	-92.4	7.7	179.4	0	0	0	0	0	114.3	R491 K497	R491-A509 HydrophobicContact CB-CB 4.2Å; R491-A509 VanDerWaalsContact CZ-O 3.24Å; R491-A509 PolarHBondContact NE-O 2.98Å; R491-A509 VanDerWaalsContact NE-O 3.13Å; R491-A509 PolarHBondContact NH2-O 3.36Å; K497-A509 HydrophobicContact CG-CB 4.26Å
510	D	82.9	Confident	86.1	Confident	38 Å²	38	69.8 Å²	69.8	20%	0.203	35%	0.354	C	S	.	.	S	Bend	trans	-153.1	132.8	-179.2	-171.4	-51.8	0	0	0	110.4	R488 G512 A513 L514	R488-D510 WeakPolarHBondContact CD-OD2 3.32Å; R488-D510 IonicContact CZ-OD2 4Å; R488-D510 IonicContact NE-OD2 3.63Å; R488-D510 IonicContact NH1-OD2 3.34Å; R488-D510 PolarHBondContact NH1-OD2 2.85Å; D510-G512 VanDerWaalsContact C-N 3.28Å; D510-G512 PolarHBondContact O-N 3.25Å; D510-G512 WeakPolarHBondContact OD1-CA 3.36Å; D510-G512 PolarHBondContact OD1-N 3.41Å; D510-A513 HydrophobicContact CB-CB 4Å; D510-A513 WeakPolarHBondContact O-CA 3.26Å; D510-A513 WeakPolarHBondContact O-CB 3.48Å; D510-A513 PolarHBondContact O-N 2.87Å; D510-L514 PolarHBondContact O-N 3.39Å; D510-L514 VanDerWaalsContact O-N 3.09Å
511	P	81.9	Confident	85.9	Confident	60 Å²	60	70.7 Å²	70.7	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-58.2	-37.3	176.4	-22.3	32.7	0	0	0	113.2	Y499 A513 L514 Q515	Y499-P511 HydrophobicContact CD1-CG 4.15Å; Y499-P511 HydrophobicContact CD2-CG 4.23Å; Y499-P511 HydrophobicContact CE1-CG 3.77Å; Y499-P511 HydrophobicContact CE2-CG 3.86Å; Y499-P511 HydrophobicContact CG-CG 4.37Å; P511-A513 PolarHBondContact O-N 3.44Å; P511-L514 PolarHBondContact O-N 3.44Å; P511-Q515 VanDerWaalsContact O-CB 3.31Å; P511-Q515 WeakPolarHBondContact O-CB 3.42Å; P511-Q515 WeakPolarHBondContact O-CG 3.44Å; P511-Q515 PolarHBondContact O-N 3.44Å
512	G	83.9	Confident	85.6	Confident	35 Å²	35	73.8 Å²	73.8	36%	0.361	37%	0.374	S	S	.	.	H	α-helix	trans	-77.5	-2.5	175.4	0	0	0	0	0	114.5	D510 R516	D510-G512 VanDerWaalsContact C-N 3.28Å; D510-G512 PolarHBondContact O-N 3.25Å; D510-G512 WeakPolarHBondContact OD1-CA 3.36Å; D510-G512 PolarHBondContact OD1-N 3.41Å; G512-R516 PolarHBondContact O-NE 2.72Å; G512-R516 PolarHBondContact O-NH2 2.84Å
513	A	84.6	Confident	85.4	Confident	32 Å²	32	69.5 Å²	69.5	26%	0.264	36%	0.361	S	S	.	.	H	α-helix	trans	-89.8	-45.4	160.9	0	0	0	0	0	110.5	F508 D510 P511 R516 H517	F508-A513 HydrophobicContact CB-CB 4.34Å; F508-A513 HydrophobicContact CD1-CB 4Å; D510-A513 HydrophobicContact CB-CB 4Å; D510-A513 WeakPolarHBondContact O-CA 3.26Å; D510-A513 WeakPolarHBondContact O-CB 3.48Å; D510-A513 PolarHBondContact O-N 2.87Å; P511-A513 PolarHBondContact O-N 3.44Å; A513-R516 WeakPolarHBondContact O-CB 3.44Å; A513-R516 PolarHBondContact O-N 2.74Å; A513-R516 VanDerWaalsContact O-N 3.12Å; A513-H517 PolarHBondContact O-N 2.94Å
514	L	87.9	Confident	85.3	Confident	26 Å²	26	69.6 Å²	69.6	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-57.5	-53.6	173.9	173.2	59.3	0	0	0	111.6	V500 C501 F508 D510 P511 R516 H517 V518	V500-L514 WeakPolarHBondContact O-CD2 3.3Å; C501-L514 HydrophobicContact CB-CD1 3.52Å; F508-L514 HydrophobicContact CB-CB 4.24Å; F508-L514 HydrophobicContact CD2-CB 4.15Å; F508-L514 HydrophobicContact CD2-CD1 3.9Å; F508-L514 HydrophobicContact CE2-CD1 4.21Å; F508-L514 HydrophobicContact CG-CB 4.3Å; D510-L514 PolarHBondContact O-N 3.39Å; D510-L514 VanDerWaalsContact O-N 3.09Å; P511-L514 PolarHBondContact O-N 3.44Å; L514-R516 PolarHBondContact O-N 2.84Å; L514-H517 CarbonylContact O-C 3.59Å; L514-H517 WeakPolarHBondContact O-CA 3.37Å; L514-H517 WeakPolarHBondContact O-CB 3.23Å; L514-H517 PolarHBondContact O-N 3.4Å; L514-V518 HydrophobicContact CD1-CG2 3.86Å; L514-V518 HydrophobicContact CG-CG2 4.24Å; L514-V518 WeakPolarHBondContact O-CG2 3.4Å; L514-V518 PolarHBondContact O-N 2.61Å
515	Q	86.1	Confident	85.2	Confident	116 Å²	116	72.3 Å²	72.3	54%	0.542	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-10.1	176.9	-76.4	-68.7	-14	0	0	114.5	P511 R519	P511-Q515 VanDerWaalsContact O-CB 3.31Å; P511-Q515 WeakPolarHBondContact O-CB 3.42Å; P511-Q515 WeakPolarHBondContact O-CG 3.44Å; P511-Q515 PolarHBondContact O-N 3.44Å; Q515-R519 PolarHBondContact O-NE 3.26Å; Q515-R519 PolarHBondContact O-NH2 2.83Å
516	R	85.6	Confident	84.9	Confident	111 Å²	111	70.3 Å²	70.3	42%	0.419	37%	0.365	S	S	.	.	H	α-helix	trans	-98.6	-24.9	172.9	-153.7	-172.1	-38.8	-174.6	3.7	112.4	G512 A513 L514 Q538	G512-R516 PolarHBondContact O-NE 2.72Å; G512-R516 PolarHBondContact O-NH2 2.84Å; A513-R516 WeakPolarHBondContact O-CB 3.44Å; A513-R516 PolarHBondContact O-N 2.74Å; A513-R516 VanDerWaalsContact O-N 3.12Å; L514-R516 PolarHBondContact O-N 2.84Å; R516-Q538 HydrophobicContact CG-CG 4.02Å
517	H	86.9	Confident	84.9	Confident	21 Å²	21	64 Å²	64	10%	0.097	35%	0.345	C	S	.	.	H	α-helix	trans	-80.4	-37.3	171.5	176.7	57	0	0	0	112.3	C501 C504 F508 A513 L514 R519 I520 H521	C501-H517 VanDerWaalsContact SG-CD2 3.53Å; C504-H517 PolarHBondContact SG-NE2 3.24Å; F508-H517 HydrophobicContact CE1-CB 3.95Å; F508-H517 HydrophobicContact CE2-CB 3.95Å; F508-H517 AromaticContact CE2-CD2 3.31Å; F508-H517 WeakPolarHBondContact CE2-CD2 3.49Å; F508-H517 AromaticContact CE2-CG 3.73Å; F508-H517 HydrophobicContact CZ-CB 3.47Å; F508-H517 VanDerWaalsContact CZ-CB 3.47Å; F508-H517 AromaticContact CZ-CD2 3.32Å; F508-H517 WeakPolarHBondContact CZ-CD2 3.45Å; F508-H517 AromaticContact CZ-CG 3.28Å; F508-H517 AromaticContact CZ-ND1 3.98Å; A513-H517 PolarHBondContact O-N 2.94Å; L514-H517 CarbonylContact O-C 3.59Å; L514-H517 WeakPolarHBondContact O-CA 3.37Å; L514-H517 WeakPolarHBondContact O-CB 3.23Å; L514-H517 PolarHBondContact O-N 3.4Å; H517-R519 PolarHBondContact O-N 3.38Å; H517-I520 WeakPolarHBondContact O-CB 3.45Å; H517-I520 WeakPolarHBondContact O-CG1 3.15Å; H517-I520 PolarHBondContact O-N 3.2Å; H517-H521 AromaticContact CD2-NE2 3.85Å; H517-H521 AromaticContact CE1-NE2 3.52Å; H517-H521 AromaticContact NE2-NE2 3.12Å; H517-H521 PolarHBondContact NE2-NE2 2.84Å; H517-H521 VanDerWaalsContact NE2-NE2 3.12Å
518	V	86.3	Confident	84.9	Confident	29 Å²	29	64.6 Å²	64.6	18%	0.176	35%	0.348	C	S	.	.	H	α-helix	trans	-56.5	-37.8	175.8	171.6	0	0	0	0	111.7	L514 I520 H521 T522	L514-V518 HydrophobicContact CD1-CG2 3.86Å; L514-V518 HydrophobicContact CG-CG2 4.24Å; L514-V518 WeakPolarHBondContact O-CG2 3.4Å; L514-V518 PolarHBondContact O-N 2.61Å; V518-I520 PolarHBondContact O-N 3.24Å; V518-H521 WeakPolarHBondContact O-CA 3.46Å; V518-H521 WeakPolarHBondContact O-CB 3.36Å; V518-H521 PolarHBondContact O-N 3.29Å; V518-T522 HydrophobicContact CG1-CG2 4.09Å; V518-T522 PolarHBondContact O-N 3.21Å
519	R	87.5	Confident	85	Confident	68 Å²	68	63 Å²	63	26%	0.257	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-7.8	172.4	-74.4	-179.4	-86.1	174.9	-17.4	115.7	Q515 H517 G523 E524 T537	Q515-R519 PolarHBondContact O-NE 3.26Å; Q515-R519 PolarHBondContact O-NH2 2.83Å; H517-R519 PolarHBondContact O-N 3.38Å; R519-G523 PolarHBondContact O-N 3.46Å; R519-E524 HydrophobicContact CB-CB 4.47Å; R519-E524 HydrophobicContact CG-CB 4.01Å; R519-T537 PolarHBondContact NH1-O 2.76Å; R519-T537 VanDerWaalsContact NH1-O 3.09Å
520	I	85.2	Confident	85.2	Confident	115 Å²	115	68.5 Å²	68.5	59%	0.59	37%	0.372	S	S	*	.	H	α-helix	trans	-80.7	-34.6	168.4	-54.4	-178	0	0	0	110.2	H517 V518	H517-I520 WeakPolarHBondContact O-CB 3.45Å; H517-I520 WeakPolarHBondContact O-CG1 3.15Å; H517-I520 PolarHBondContact O-N 3.2Å; V518-I520 PolarHBondContact O-N 3.24Å
521	H	83.9	Confident	85.2	Confident	77 Å²	77	73.5 Å²	73.5	36%	0.356	40%	0.395	S	S	.	.	H	α-helix	trans	-81.7	-43.6	178.5	-56.7	-65.2	0	0	0	112.2	H503 C504 H517 V518 G523	H503-H521 HydrophobicContact CB-CB 4.18Å; H503-H521 AromaticContact CD2-CD2 3.78Å; H503-H521 AromaticContact CD2-CG 3.88Å; C504-H521 PolarHBondContact SG-NE2 2.9Å; C504-H521 VanDerWaalsContact SG-NE2 3.39Å; H517-H521 AromaticContact CD2-NE2 3.85Å; H517-H521 AromaticContact CE1-NE2 3.52Å; H517-H521 AromaticContact NE2-NE2 3.12Å; H517-H521 PolarHBondContact NE2-NE2 2.84Å; H517-H521 VanDerWaalsContact NE2-NE2 3.12Å; V518-H521 WeakPolarHBondContact O-CA 3.46Å; V518-H521 WeakPolarHBondContact O-CB 3.36Å; V518-H521 PolarHBondContact O-N 3.29Å; H521-G523 PolarHBondContact O-N 2.84Å
522	T	84.4	Confident	85.4	Confident	67 Å²	67	73 Å²	73	41%	0.411	39%	0.393	S	S	.	.	S	Bend	trans	-75.2	-13.6	175.6	67.4	0	0	0	0	113.2	V518 E524	V518-T522 HydrophobicContact CG1-CG2 4.09Å; V518-T522 PolarHBondContact O-N 3.21Å; T522-E524 VanDerWaalsContact CB-OE1 3.25Å; T522-E524 WeakPolarHBondContact CB-OE1 3.31Å; T522-E524 PolarHBondContact O-N 3.27Å; T522-E524 VanDerWaalsContact O-N 3.14Å; T522-E524 WeakPolarHBondContact OG1-CG 3.11Å; T522-E524 PolarHBondContact OG1-OE1 2.82Å
523	G	83.3	Confident	85.4	Confident	37 Å²	37	73.3 Å²	73.3	38%	0.381	40%	0.396	S	S	.	.			trans	72.5	-4.2	-179.3	0	0	0	0	0	115.3	R519 H521 K525	R519-G523 PolarHBondContact O-N 3.46Å; H521-G523 PolarHBondContact O-N 2.84Å; G523-K525 WeakPolarHBondContact O-CD 3.42Å; G523-K525 WeakPolarHBondContact O-CG 3.46Å; G523-K525 PolarHBondContact O-N 3.19Å
524	E	82.9	Confident	85.5	Confident	105 Å²	105	77.7 Å²	77.7	49%	0.491	41%	0.409	S	S	.	.			trans	-53.9	125.7	-179.8	-78.1	164.1	-127.6	0	0	113	R519 T522	R519-E524 HydrophobicContact CB-CB 4.47Å; R519-E524 HydrophobicContact CG-CB 4.01Å; T522-E524 VanDerWaalsContact CB-OE1 3.25Å; T522-E524 WeakPolarHBondContact CB-OE1 3.31Å; T522-E524 PolarHBondContact O-N 3.27Å; T522-E524 VanDerWaalsContact O-N 3.14Å; T522-E524 WeakPolarHBondContact OG1-CG 3.11Å; T522-E524 PolarHBondContact OG1-OE1 2.82Å
525	K	85.3	Confident	85.4	Confident	116 Å²	116	78.4 Å²	78.4	50%	0.504	42%	0.418	S	S	.	.			trans	-128.9	76.4	-178.6	-72.8	151.6	-175.2	166.9	0	110.7	G523 C527 A535 F536 T537	G523-K525 WeakPolarHBondContact O-CD 3.42Å; G523-K525 WeakPolarHBondContact O-CG 3.46Å; G523-K525 PolarHBondContact O-N 3.19Å; K525-C527 PolarHBondContact O-N 2.89Å; K525-A535 HydrophobicContact CB-CB 3.5Å; K525-A535 VanDerWaalsContact CB-CB 3.5Å; K525-A535 HydrophobicContact CD-CB 4.22Å; K525-A535 HydrophobicContact CG-CB 4.4Å; K525-F536 CarbonylContact C-O 3.55Å; K525-F536 VanDerWaalsContact C-O 3.24Å; K525-F536 VanDerWaalsContact CA-O 3.3Å; K525-F536 WeakPolarHBondContact CA-O 3.34Å; K525-T537 HydrophobicContact CG-CG2 3.85Å
526	P	82.8	Confident	85.4	Confident	90 Å²	90	75.1 Å²	75.1	58%	0.584	40%	0.402	S	S	*	.			trans	-65.3	-11.5	-172.7	-22	34.4	0	0	0	115.1
527	C	84.4	Confident	85.3	Confident	26 Å²	26	71.3 Å²	71.3	18%	0.176	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	88.5	-174.6	-55.2	0	0	0	0	110.3	K525 F536 A539 L542	K525-C527 PolarHBondContact O-N 2.89Å; C527-F536 HydrophobicContact CB-CB 4.39Å; C527-F536 WeakPolarHBondContact CB-O 3.46Å; C527-F536 PolarHBondContact N-O 3.06Å; C527-F536 VanDerWaalsContact N-O 3.11Å; C527-F536 PolarHBondContact O-N 3.4Å; C527-A539 PolarHBondContact SG-N 2.93Å; C527-A539 VanDerWaalsContact SG-N 3.42Å; C527-L542 HydrophobicContact CB-CB 3.95Å; C527-L542 HydrophobicContact CB-CD2 3.79Å; C527-L542 HydrophobicContact CB-CG 4.48Å
528	Q	87.7	Confident	85.2	Confident	125 Å²	125	73.1 Å²	73.1	58%	0.584	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	141.5	178.9	-161.4	173.9	22.5	0	0	113	G533 A535 L542	Q528-G533 WeakPolarHBondContact CG-O 3.4Å; Q528-G533 PolarHBondContact NE2-O 3.1Å; Q528-A535 HydrophobicContact CB-CB 4.46Å; Q528-A535 HydrophobicContact CG-CB 4.29Å; Q528-L542 WeakPolarHBondContact O-CD2 3.35Å
529	C	89.1	Confident	85	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.007	41%	0.413	C	S	.	.			trans	-88.2	109.8	173.4	-171.1	0	0	0	0	110.7	M531 C532 G533 K534 F536 L542	C529-M531 PolarHBondContact O-N 3.1Å; C529-C532 PolarHBondContact O-N 3.49Å; C529-G533 WeakPolarHBondContact O-CA 3.47Å; C529-G533 PolarHBondContact O-N 3.41Å; C529-K534 WeakPolarHBondContact CB-O 3.46Å; C529-K534 PolarHBondContact N-O 3.04Å; C529-F536 HydrophobicContact CB-CE2 4.35Å; C529-L542 HydrophobicContact CB-CD1 3.5Å
530	V	85.7	Confident	84.8	Confident	144 Å²	144	74.6 Å²	74.6	87%	0.873	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.3	179.2	-172.9	0	0	0	0	111.9	C532	V530-C532 VanDerWaalsContact C-N 3.28Å; V530-C532 PolarHBondContact O-N 2.92Å
531	M	84.3	Confident	84.8	Confident	142 Å²	142	71.3 Å²	71.3	70%	0.7	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.3	-176.2	-56.1	-56.7	-63.6	0	0	115.1	C529	C529-M531 PolarHBondContact O-N 3.1Å
532	C	86.1	Confident	85	Confident	50 Å²	50	69 Å²	69	34%	0.338	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.7	11.3	-173.7	72.9	0	0	0	0	115.6	C529 V530 K534 H545 H549	C529-C532 PolarHBondContact O-N 3.49Å; V530-C532 VanDerWaalsContact C-N 3.28Å; V530-C532 PolarHBondContact O-N 2.92Å; C532-K534 PolarHBondContact O-N 3.43Å; C532-H545 PolarHBondContact SG-NE2 2.81Å; C532-H549 PolarHBondContact SG-NE2 3.08Å
533	G	84.1	Confident	85.1	Confident	42 Å²	42	70.4 Å²	70.4	43%	0.433	41%	0.407	S	S	.	.			trans	67.3	-6.2	-179.4	0	0	0	0	0	116.3	Q528 C529 A535	Q528-G533 WeakPolarHBondContact CG-O 3.4Å; Q528-G533 PolarHBondContact NE2-O 3.1Å; C529-G533 WeakPolarHBondContact O-CA 3.47Å; C529-G533 PolarHBondContact O-N 3.41Å; G533-A535 PolarHBondContact O-N 3.49Å
534	K	85.5	Confident	85.1	Confident	124 Å²	124	69.5 Å²	69.5	54%	0.539	40%	0.396	S	S	.	.			trans	-69.4	124	-174.6	-69.1	178	-174.8	172.6	0	111.5	C529 C532 F536	C529-K534 WeakPolarHBondContact CB-O 3.46Å; C529-K534 PolarHBondContact N-O 3.04Å; C532-K534 PolarHBondContact O-N 3.43Å; K534-F536 HydrophobicContact CB-CE2 3.88Å; K534-F536 HydrophobicContact CB-CZ 4.17Å; K534-F536 WeakPolarHBondContact O-CD2 3.3Å; K534-F536 VanDerWaalsContact O-CE2 3.29Å; K534-F536 WeakPolarHBondContact O-CE2 3.45Å
535	A	87.5	Confident	85.3	Confident	40 Å²	40	65.2 Å²	65.2	33%	0.331	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.8	-178.5	0	0	0	0	0	112.7	K525 Q528 G533	K525-A535 HydrophobicContact CB-CB 3.5Å; K525-A535 VanDerWaalsContact CB-CB 3.5Å; K525-A535 HydrophobicContact CD-CB 4.22Å; K525-A535 HydrophobicContact CG-CB 4.4Å; Q528-A535 HydrophobicContact CB-CB 4.46Å; Q528-A535 HydrophobicContact CG-CB 4.29Å; G533-A535 PolarHBondContact O-N 3.49Å
536	F	85.4	Confident	85.3	Confident	47 Å²	47	62.1 Å²	62.1	21%	0.206	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150	-177	-61.4	-92.3	0	0	0	111.9	K525 C527 C529 K534 Q538 L542 H545	K525-F536 CarbonylContact C-O 3.55Å; K525-F536 VanDerWaalsContact C-O 3.24Å; K525-F536 VanDerWaalsContact CA-O 3.3Å; K525-F536 WeakPolarHBondContact CA-O 3.34Å; C527-F536 HydrophobicContact CB-CB 4.39Å; C527-F536 WeakPolarHBondContact CB-O 3.46Å; C527-F536 PolarHBondContact N-O 3.06Å; C527-F536 VanDerWaalsContact N-O 3.11Å; C527-F536 PolarHBondContact O-N 3.4Å; C529-F536 HydrophobicContact CB-CE2 4.35Å; K534-F536 HydrophobicContact CB-CE2 3.88Å; K534-F536 HydrophobicContact CB-CZ 4.17Å; K534-F536 WeakPolarHBondContact O-CD2 3.3Å; K534-F536 VanDerWaalsContact O-CE2 3.29Å; K534-F536 WeakPolarHBondContact O-CE2 3.45Å; F536-Q538 VanDerWaalsContact C-N 3.27Å; F536-Q538 PolarHBondContact O-N 3.22Å; F536-L542 HydrophobicContact CB-CB 4.38Å; F536-L542 HydrophobicContact CD2-CB 4.15Å; F536-L542 HydrophobicContact CD2-CD1 3.97Å; F536-L542 HydrophobicContact CE2-CD1 4.26Å; F536-L542 HydrophobicContact CG-CB 4.44Å; F536-H545 HydrophobicContact CE1-CB 4.17Å; F536-H545 HydrophobicContact CE2-CB 3.99Å; F536-H545 AromaticContact CE2-CD2 3.42Å; F536-H545 VanDerWaalsContact CE2-CD2 3.42Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.29Å; F536-H545 AromaticContact CE2-CG 3.86Å; F536-H545 HydrophobicContact CZ-CB 3.59Å; F536-H545 AromaticContact CZ-CD2 3.39Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.36Å; F536-H545 AromaticContact CZ-CG 3.43Å; F536-H545 VanDerWaalsContact CZ-CG 3.43Å
537	T	83.8	Confident	85.5	Confident	32 Å²	32	60.6 Å²	60.6	20%	0.196	35%	0.349	C	S	.	.	S	Bend	trans	-77.4	-11	176.7	59.9	0	0	0	0	113.4	R519 K525	R519-T537 PolarHBondContact NH1-O 2.76Å; R519-T537 VanDerWaalsContact NH1-O 3.09Å; K525-T537 HydrophobicContact CG-CG2 3.85Å
538	Q	84.6	Confident	85.4	Confident	58 Å²	58	64.6 Å²	64.6	27%	0.271	37%	0.365	S	S	.	.	S	Bend	trans	-142	135.7	-174.9	-60.4	-176.1	72.8	0	0	111.7	R516 F536 S540 S541 L542	R516-Q538 HydrophobicContact CG-CG 4.02Å; F536-Q538 VanDerWaalsContact C-N 3.27Å; F536-Q538 PolarHBondContact O-N 3.22Å; Q538-S540 VanDerWaalsContact C-N 3.3Å; Q538-S540 PolarHBondContact O-N 2.83Å; Q538-S541 WeakPolarHBondContact O-CB 3.42Å; Q538-S541 PolarHBondContact O-N 2.88Å; Q538-S541 VanDerWaalsContact O-N 3.11Å; Q538-L542 PolarHBondContact O-N 2.92Å
539	A	82.2	Confident	85.2	Confident	55 Å²	55	62.4 Å²	62.4	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-35.3	176.8	0	0	0	0	0	112.9	C527 S541 L542 I543	C527-A539 PolarHBondContact SG-N 2.93Å; C527-A539 VanDerWaalsContact SG-N 3.42Å; A539-S541 VanDerWaalsContact C-N 3.32Å; A539-S541 PolarHBondContact O-N 3.07Å; A539-L542 WeakPolarHBondContact O-CB 3.35Å; A539-L542 PolarHBondContact O-N 3.06Å; A539-I543 VanDerWaalsContact O-CG1 3.3Å; A539-I543 WeakPolarHBondContact O-CG1 3.23Å; A539-I543 PolarHBondContact O-N 3.02Å
540	S	82.4	Confident	84.9	Confident	74 Å²	74	66.1 Å²	66.1	52%	0.517	38%	0.377	S	S	.	.	H	α-helix	trans	-63	-36.8	174.3	51.7	0	0	0	0	112.8	Q538 A544	Q538-S540 VanDerWaalsContact C-N 3.3Å; Q538-S540 PolarHBondContact O-N 2.83Å; S540-A544 VanDerWaalsContact O-CB 3.28Å; S540-A544 WeakPolarHBondContact O-CB 3.2Å; S540-A544 PolarHBondContact O-N 3.17Å
541	S	86.2	Confident	84.7	Confident	45 Å²	45	61.3 Å²	61.3	32%	0.315	36%	0.357	S	S	.	.	H	α-helix	trans	-70.7	-36.6	173.7	-56.5	0	0	0	0	112	Q538 A539 H545	Q538-S541 WeakPolarHBondContact O-CB 3.42Å; Q538-S541 PolarHBondContact O-N 2.88Å; Q538-S541 VanDerWaalsContact O-N 3.11Å; A539-S541 VanDerWaalsContact C-N 3.32Å; A539-S541 PolarHBondContact O-N 3.07Å; S541-H545 WeakPolarHBondContact O-CB 3.4Å; S541-H545 PolarHBondContact O-N 2.88Å; S541-H545 VanDerWaalsContact O-N 3.08Å
542	L	88	Confident	84.6	Confident	30 Å²	30	59 Å²	59	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-51.3	171.7	172.1	61.2	0	0	0	111.3	C527 Q528 C529 F536 Q538 A539 A544 H545 V546	C527-L542 HydrophobicContact CB-CB 3.95Å; C527-L542 HydrophobicContact CB-CD2 3.79Å; C527-L542 HydrophobicContact CB-CG 4.48Å; Q528-L542 WeakPolarHBondContact O-CD2 3.35Å; C529-L542 HydrophobicContact CB-CD1 3.5Å; F536-L542 HydrophobicContact CB-CB 4.38Å; F536-L542 HydrophobicContact CD2-CB 4.15Å; F536-L542 HydrophobicContact CD2-CD1 3.97Å; F536-L542 HydrophobicContact CE2-CD1 4.26Å; F536-L542 HydrophobicContact CG-CB 4.44Å; Q538-L542 PolarHBondContact O-N 2.92Å; A539-L542 WeakPolarHBondContact O-CB 3.35Å; A539-L542 PolarHBondContact O-N 3.06Å; L542-A544 VanDerWaalsContact C-N 3.34Å; L542-A544 PolarHBondContact O-N 3.46Å; L542-H545 CarbonylContact O-C 3.58Å; L542-H545 WeakPolarHBondContact O-CA 3.32Å; L542-H545 WeakPolarHBondContact O-CB 3.4Å; L542-H545 PolarHBondContact O-N 3.4Å; L542-V546 HydrophobicContact CD1-CG2 3.87Å; L542-V546 HydrophobicContact CG-CG2 4.27Å; L542-V546 WeakPolarHBondContact O-CG2 3.29Å; L542-V546 PolarHBondContact O-N 2.94Å
543	I	85.1	Confident	84.5	Confident	96 Å²	96	61.2 Å²	61.2	49%	0.492	35%	0.349	S	S	.	.	H	α-helix	trans	-58.5	-46.2	179.2	-67.1	161	0	0	0	110.7	A539 H545 V546 R547	A539-I543 VanDerWaalsContact O-CG1 3.3Å; A539-I543 WeakPolarHBondContact O-CG1 3.23Å; A539-I543 PolarHBondContact O-N 3.02Å; I543-H545 PolarHBondContact O-N 2.87Å; I543-V546 PolarHBondContact O-N 2.92Å; I543-R547 PolarHBondContact O-N 2.88Å; I543-R547 VanDerWaalsContact O-N 3.08Å
544	A	83.9	Confident	84.5	Confident	18 Å²	18	61.5 Å²	61.5	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-70.1	-7.4	176.7	0	0	0	0	0	114.1	S540 L542 Q548 Q566	S540-A544 VanDerWaalsContact O-CB 3.28Å; S540-A544 WeakPolarHBondContact O-CB 3.2Å; S540-A544 PolarHBondContact O-N 3.17Å; L542-A544 VanDerWaalsContact C-N 3.34Å; L542-A544 PolarHBondContact O-N 3.46Å; A544-Q548 PolarHBondContact O-NE2 3.13Å; A544-Q566 HydrophobicContact CB-CG 4.18Å
545	H	86.3	Confident	84.5	Confident	15 Å²	15	59.2 Å²	59.2	7%	0.069	33%	0.332	C	S	.	.	H	α-helix	trans	-95.7	-40.3	166.7	179	52.6	0	0	0	112.5	C532 F536 S541 L542 I543 R547 Q548 H549	C532-H545 PolarHBondContact SG-NE2 2.81Å; F536-H545 HydrophobicContact CE1-CB 4.17Å; F536-H545 HydrophobicContact CE2-CB 3.99Å; F536-H545 AromaticContact CE2-CD2 3.42Å; F536-H545 VanDerWaalsContact CE2-CD2 3.42Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.29Å; F536-H545 AromaticContact CE2-CG 3.86Å; F536-H545 HydrophobicContact CZ-CB 3.59Å; F536-H545 AromaticContact CZ-CD2 3.39Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.36Å; F536-H545 AromaticContact CZ-CG 3.43Å; F536-H545 VanDerWaalsContact CZ-CG 3.43Å; S541-H545 WeakPolarHBondContact O-CB 3.4Å; S541-H545 PolarHBondContact O-N 2.88Å; S541-H545 VanDerWaalsContact O-N 3.08Å; L542-H545 CarbonylContact O-C 3.58Å; L542-H545 WeakPolarHBondContact O-CA 3.32Å; L542-H545 WeakPolarHBondContact O-CB 3.4Å; L542-H545 PolarHBondContact O-N 3.4Å; I543-H545 PolarHBondContact O-N 2.87Å; H545-R547 VanDerWaalsContact C-N 3.27Å; H545-R547 PolarHBondContact O-N 3.28Å; H545-Q548 PolarHBondContact ND1-OE1 3.33Å; H545-Q548 WeakPolarHBondContact O-CA 3.34Å; H545-Q548 WeakPolarHBondContact O-CB 3.35Å; H545-Q548 PolarHBondContact O-N 2.97Å; H545-H549 AromaticContact CD2-NE2 3.74Å; H545-H549 AromaticContact CE1-CE1 3.88Å; H545-H549 AromaticContact CE1-NE2 3.43Å; H545-H549 PolarHBondContact CE1-NE2 2.65Å; H545-H549 AromaticContact NE2-CD2 3.98Å; H545-H549 AromaticContact NE2-CE1 3.78Å; H545-H549 AromaticContact NE2-NE2 3.03Å; H545-H549 PolarHBondContact NE2-NE2 3.41Å
546	V	85.6	Confident	84.5	Confident	50 Å²	50	60.5 Å²	60.5	30%	0.303	34%	0.335	S	S	.	.	H	α-helix	trans	-57.4	-41	175.4	170.7	0	0	0	0	111.1	L542 I543 Q548 H549 T550	L542-V546 HydrophobicContact CD1-CG2 3.87Å; L542-V546 HydrophobicContact CG-CG2 4.27Å; L542-V546 WeakPolarHBondContact O-CG2 3.29Å; L542-V546 PolarHBondContact O-N 2.94Å; I543-V546 PolarHBondContact O-N 2.92Å; V546-Q548 PolarHBondContact O-N 3Å; V546-H549 WeakPolarHBondContact O-CA 3.45Å; V546-H549 WeakPolarHBondContact O-CB 3.23Å; V546-H549 PolarHBondContact O-N 2.76Å; V546-T550 HydrophobicContact CG1-CG2 4.3Å; V546-T550 PolarHBondContact O-N 2.77Å
547	R	86.7	Confident	84.7	Confident	59 Å²	59	58.4 Å²	58.4	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-15.9	172.4	-70	-177.7	171.7	168.6	-1	115.1	I543 H545 T550 G551 E552 V565	I543-R547 PolarHBondContact O-N 2.88Å; I543-R547 VanDerWaalsContact O-N 3.08Å; H545-R547 VanDerWaalsContact C-N 3.27Å; H545-R547 PolarHBondContact O-N 3.28Å; R547-T550 WeakPolarHBondContact CA-OG1 3.2Å; R547-G551 CarbonylContact O-C 3.21Å; R547-G551 PolarHBondContact O-N 3.01Å; R547-G551 VanDerWaalsContact O-N 3.15Å; R547-E552 HydrophobicContact CB-CB 4.18Å; R547-E552 HydrophobicContact CG-CB 4Å; R547-E552 IonicContact NE-OE2 3.9Å; R547-E552 PolarHBondContact O-N 2.94Å; R547-V565 HydrophobicContact CB-CG1 3.61Å
548	Q	83	Confident	84.9	Confident	109 Å²	109	66.3 Å²	66.3	51%	0.509	36%	0.361	S	S	.	.	H	α-helix	trans	-82.1	-23.8	173.4	-54.9	167.1	21.4	0	0	111.8	A544 H545 V546 V565	A544-Q548 PolarHBondContact O-NE2 3.13Å; H545-Q548 PolarHBondContact ND1-OE1 3.33Å; H545-Q548 WeakPolarHBondContact O-CA 3.34Å; H545-Q548 WeakPolarHBondContact O-CB 3.35Å; H545-Q548 PolarHBondContact O-N 2.97Å; V546-Q548 PolarHBondContact O-N 3Å; Q548-V565 HydrophobicContact CG-CG1 4.28Å
549	H	83.1	Confident	84.9	Confident	80 Å²	80	71.2 Å²	71.2	37%	0.37	38%	0.377	S	S	.	.	H	α-helix	trans	-85.1	-42	171.9	-58.9	-64.5	0	0	0	111.7	C532 H545 V546 G551	C532-H549 PolarHBondContact SG-NE2 3.08Å; H545-H549 AromaticContact CD2-NE2 3.74Å; H545-H549 AromaticContact CE1-CE1 3.88Å; H545-H549 AromaticContact CE1-NE2 3.43Å; H545-H549 PolarHBondContact CE1-NE2 2.65Å; H545-H549 AromaticContact NE2-CD2 3.98Å; H545-H549 AromaticContact NE2-CE1 3.78Å; H545-H549 AromaticContact NE2-NE2 3.03Å; H545-H549 PolarHBondContact NE2-NE2 3.41Å; V546-H549 WeakPolarHBondContact O-CA 3.45Å; V546-H549 WeakPolarHBondContact O-CB 3.23Å; V546-H549 PolarHBondContact O-N 2.76Å; H549-G551 VanDerWaalsContact C-N 3.25Å; H549-G551 PolarHBondContact O-N 3.18Å
550	T	83.3	Confident	85	Confident	78 Å²	78	71 Å²	71	48%	0.479	37%	0.371	S	S	.	.	S	Bend	trans	-76.2	-13.3	177.4	65.7	0	0	0	0	113.2	V546 R547 E552	V546-T550 HydrophobicContact CG1-CG2 4.3Å; V546-T550 PolarHBondContact O-N 2.77Å; R547-T550 WeakPolarHBondContact CA-OG1 3.2Å; T550-E552 VanDerWaalsContact CB-OE1 3.28Å; T550-E552 WeakPolarHBondContact CB-OE1 3.49Å; T550-E552 PolarHBondContact O-N 3.43Å; T550-E552 VanDerWaalsContact OG1-CD 3.22Å; T550-E552 WeakPolarHBondContact OG1-CG 3.36Å; T550-E552 PolarHBondContact OG1-OE1 3.42Å
551	G	81.8	Confident	85.1	Confident	44 Å²	44	69.8 Å²	69.8	45%	0.454	37%	0.37	S	S	.	.			trans	74.2	1	-177.5	0	0	0	0	0	114.5	R547 H549 K553	R547-G551 CarbonylContact O-C 3.21Å; R547-G551 PolarHBondContact O-N 3.01Å; R547-G551 VanDerWaalsContact O-N 3.15Å; H549-G551 VanDerWaalsContact C-N 3.25Å; H549-G551 PolarHBondContact O-N 3.18Å; G551-K553 PolarHBondContact O-N 3.29Å
552	E	81.9	Confident	85	Confident	93 Å²	93	73.5 Å²	73.5	44%	0.435	38%	0.381	S	S	.	.			trans	-55.6	121.6	179.4	-81.7	164.6	-117.6	0	0	112.5	R547 T550	R547-E552 HydrophobicContact CB-CB 4.18Å; R547-E552 HydrophobicContact CG-CB 4Å; R547-E552 IonicContact NE-OE2 3.9Å; R547-E552 PolarHBondContact O-N 2.94Å; T550-E552 VanDerWaalsContact CB-OE1 3.28Å; T550-E552 WeakPolarHBondContact CB-OE1 3.49Å; T550-E552 PolarHBondContact O-N 3.43Å; T550-E552 VanDerWaalsContact OG1-CD 3.22Å; T550-E552 WeakPolarHBondContact OG1-CG 3.36Å; T550-E552 PolarHBondContact OG1-OE1 3.42Å
553	K	85.1	Confident	85	Confident	97 Å²	97	79.1 Å²	79.1	42%	0.422	40%	0.4	S	S	.	.			trans	-127.2	82	175.9	-69.4	161.3	178.6	179.6	0	109.6	G551 Y555 R563 F564 V565	G551-K553 PolarHBondContact O-N 3.29Å; K553-Y555 VanDerWaalsContact C-N 3.34Å; K553-R563 HydrophobicContact CB-CB 3.54Å; K553-R563 HydrophobicContact CD-CB 4.18Å; K553-R563 HydrophobicContact CG-CB 4.42Å; K553-R563 PolarHBondContact O-NE 3.38Å; K553-R563 PolarHBondContact O-NH2 3.34Å; K553-F564 CarbonylContact C-O 3.2Å; K553-F564 VanDerWaalsContact CA-O 3.23Å; K553-F564 WeakPolarHBondContact CA-O 3.28Å; K553-V565 HydrophobicContact CG-CG2 3.78Å
554	P	83.2	Confident	85	Confident	48 Å²	48	76.4 Å²	76.4	31%	0.312	39%	0.385	S	S	.	.			trans	-66.8	-36.1	-177.6	-21.1	34.3	0	0	0	112.4	V556	P554-V556 PolarHBondContact O-N 3.12Å
555	Y	85.8	Confident	85.1	Confident	76 Å²	76	76.3 Å²	76.3	30%	0.298	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108.4	-171.9	-53.7	-71.2	0	0	0	110.7	K553 R563 F564 V565 S567	K553-Y555 VanDerWaalsContact C-N 3.34Å; Y555-R563 CarbonylContact O-C 3.59Å; Y555-R563 WeakPolarHBondContact O-CA 3.32Å; Y555-F564 PolarHBondContact N-O 3.09Å; Y555-F564 PolarHBondContact O-N 3Å; Y555-V565 WeakPolarHBondContact CE2-O 3.34Å; Y555-S567 VanDerWaalsContact CD2-N 3.33Å
556	V	87	Confident	85	Confident	66 Å²	66	78.6 Å²	78.6	40%	0.4	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.3	-179.6	-169.3	0	0	0	0	110.3	P554 R563 L570	P554-V556 PolarHBondContact O-N 3.12Å; V556-R563 HydrophobicContact CG1-CG 4.29Å; V556-R563 HydrophobicContact CG2-CG 4.09Å; V556-L570 WeakPolarHBondContact O-CD2 3.22Å
557	C	90.8	Very high	84.9	Confident	4 Å²	4	79.5 Å²	79.5	3%	0.027	40%	0.402	C	S	.	.			trans	-88.2	107.1	166.4	-173.2	0	0	0	0	109.8	R559 C560 G561 K562 F564 L570	C557-R559 PolarHBondContact O-N 3.11Å; C557-C560 PolarHBondContact O-N 3.18Å; C557-C560 VanDerWaalsContact O-N 3.16Å; C557-G561 WeakPolarHBondContact O-CA 3.46Å; C557-G561 PolarHBondContact O-N 3.4Å; C557-K562 PolarHBondContact N-O 3.28Å; C557-F564 HydrophobicContact CB-CE2 4.31Å; C557-L570 HydrophobicContact CB-CD1 3.52Å
558	E	87	Confident	84.8	Confident	197 Å²	197	79.3 Å²	79.3	92%	0.921	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.5	179.8	-57.8	179.6	146.1	0	0	112.3	C560	E558-C560 VanDerWaalsContact C-N 3.28Å; E558-C560 PolarHBondContact O-N 3.25Å
559	R	83.8	Confident	84.9	Confident	162 Å²	162	77.6 Å²	77.6	61%	0.611	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14	-177.3	-165	168.4	-180	-177.3	0.1	114.9	C557 D578	C557-R559 PolarHBondContact O-N 3.11Å; R559-D578 IonicContact CZ-OD1 3.24Å; R559-D578 IonicContact NH1-OD1 3.88Å; R559-D578 PolarHBondContact NH1-OD1 2.61Å
560	C	85.6	Confident	85.1	Confident	50 Å²	50	75 Å²	75	34%	0.338	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.2	10.8	178	73.1	0	0	0	0	116.4	C557 E558 K562 H573 H577	C557-C560 PolarHBondContact O-N 3.18Å; C557-C560 VanDerWaalsContact O-N 3.16Å; E558-C560 VanDerWaalsContact C-N 3.28Å; E558-C560 PolarHBondContact O-N 3.25Å; C560-K562 PolarHBondContact O-N 3.02Å; C560-K562 VanDerWaalsContact SG-CG 3.57Å; C560-H573 PolarHBondContact SG-NE2 3.46Å; C560-H577 PolarHBondContact SG-NE2 3.47Å
561	G	84.2	Confident	85.1	Confident	48 Å²	48	73.1 Å²	73.1	50%	0.495	38%	0.383	S	S	.	.			trans	68.6	-4.4	-179.8	0	0	0	0	0	116.3	C557 R563	C557-G561 WeakPolarHBondContact O-CA 3.46Å; C557-G561 PolarHBondContact O-N 3.4Å; G561-R563 WeakPolarHBondContact O-CG 3.45Å; G561-R563 PolarHBondContact O-N 3.44Å
562	K	85	Confident	85.2	Confident	123 Å²	123	73.4 Å²	73.4	54%	0.535	37%	0.373	S	S	.	.			trans	-67	130.7	-175.7	-70.6	177.6	-174.9	173.4	0	111.1	C557 C560 F564	C557-K562 PolarHBondContact N-O 3.28Å; C560-K562 PolarHBondContact O-N 3.02Å; C560-K562 VanDerWaalsContact SG-CG 3.57Å; K562-F564 HydrophobicContact CB-CE2 3.71Å; K562-F564 HydrophobicContact CB-CZ 3.88Å; K562-F564 WeakPolarHBondContact O-CD2 3.43Å; K562-F564 VanDerWaalsContact O-CE2 3.25Å; K562-F564 WeakPolarHBondContact O-CE2 3.23Å
563	R	87.6	Confident	85.4	Confident	149 Å²	149	70.3 Å²	70.3	56%	0.562	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.5	-176	-50.4	-175.5	58.8	169.2	1.4	111.7	K553 Y555 V556 G561	K553-R563 HydrophobicContact CB-CB 3.54Å; K553-R563 HydrophobicContact CD-CB 4.18Å; K553-R563 HydrophobicContact CG-CB 4.42Å; K553-R563 PolarHBondContact O-NE 3.38Å; K553-R563 PolarHBondContact O-NH2 3.34Å; Y555-R563 CarbonylContact O-C 3.59Å; Y555-R563 WeakPolarHBondContact O-CA 3.32Å; V556-R563 HydrophobicContact CG1-CG 4.29Å; V556-R563 HydrophobicContact CG2-CG 4.09Å; G561-R563 WeakPolarHBondContact O-CG 3.45Å; G561-R563 PolarHBondContact O-N 3.44Å
564	F	85.2	Confident	85.3	Confident	39 Å²	39	69 Å²	69	17%	0.171	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.1	-173.4	-60.4	-87.7	0	0	0	112.5	K553 Y555 C557 K562 Q569 L570 H573	K553-F564 CarbonylContact C-O 3.2Å; K553-F564 VanDerWaalsContact CA-O 3.23Å; K553-F564 WeakPolarHBondContact CA-O 3.28Å; Y555-F564 PolarHBondContact N-O 3.09Å; Y555-F564 PolarHBondContact O-N 3Å; C557-F564 HydrophobicContact CB-CE2 4.31Å; K562-F564 HydrophobicContact CB-CE2 3.71Å; K562-F564 HydrophobicContact CB-CZ 3.88Å; K562-F564 WeakPolarHBondContact O-CD2 3.43Å; K562-F564 VanDerWaalsContact O-CE2 3.25Å; K562-F564 WeakPolarHBondContact O-CE2 3.23Å; F564-Q569 HydrophobicContact CB-CB 4.06Å; F564-Q569 HydrophobicContact CD1-CB 3.79Å; F564-Q569 HydrophobicContact CG-CB 4.21Å; F564-L570 HydrophobicContact CB-CB 4.36Å; F564-L570 HydrophobicContact CD2-CB 4.06Å; F564-L570 HydrophobicContact CD2-CD1 3.94Å; F564-L570 HydrophobicContact CE2-CD1 4.14Å; F564-L570 HydrophobicContact CG-CB 4.34Å; F564-H573 HydrophobicContact CE1-CB 4.14Å; F564-H573 HydrophobicContact CE2-CB 4.19Å; F564-H573 AromaticContact CE2-CD2 3.23Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.16Å; F564-H573 AromaticContact CE2-CG 3.86Å; F564-H573 AromaticContact CE2-NE2 3.95Å; F564-H573 HydrophobicContact CZ-CB 3.71Å; F564-H573 AromaticContact CZ-CD2 3.21Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.35Å; F564-H573 AromaticContact CZ-CG 3.4Å; F564-H573 VanDerWaalsContact CZ-CG 3.4Å; F564-H573 AromaticContact CZ-NE2 3.85Å
565	V	84.5	Confident	85.4	Confident	15 Å²	15	70.2 Å²	70.2	9%	0.091	35%	0.354	C	S	.	.	S	Bend	trans	-82.5	-26.8	-177.9	178.6	0	0	0	0	111.7	R547 Q548 K553 Y555	R547-V565 HydrophobicContact CB-CG1 3.61Å; Q548-V565 HydrophobicContact CG-CG1 4.28Å; K553-V565 HydrophobicContact CG-CG2 3.78Å; Y555-V565 WeakPolarHBondContact CE2-O 3.34Å
566	Q	84.6	Confident	85.1	Confident	64 Å²	64	71.1 Å²	71.1	30%	0.299	36%	0.361	S	S	.	.	S	Bend	trans	-130.8	143.4	-179.1	-57	178.8	4.7	0	0	111.4	A544 S568 Q569 L570	A544-Q566 HydrophobicContact CB-CG 4.18Å; Q566-S568 WeakPolarHBondContact CB-OG 3.33Å; Q566-S568 PolarHBondContact O-N 3.36Å; Q566-S568 PolarHBondContact OE1-OG 3.41Å; Q566-Q569 HydrophobicContact CB-CG 4.08Å; Q566-Q569 WeakPolarHBondContact O-CB 3.24Å; Q566-Q569 PolarHBondContact O-N 2.99Å; Q566-L570 PolarHBondContact O-N 3.35Å
567	S	84.3	Confident	84.8	Confident	69 Å²	69	70.6 Å²	70.6	48%	0.483	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-30.2	175.9	53.9	0	0	0	0	113.2	Y555 Q569 L570 A571	Y555-S567 VanDerWaalsContact CD2-N 3.33Å; S567-Q569 VanDerWaalsContact C-N 3.32Å; S567-Q569 PolarHBondContact O-N 3.12Å; S567-L570 PolarHBondContact O-N 3.32Å; S567-A571 WeakPolarHBondContact O-CB 3.33Å; S567-A571 PolarHBondContact O-N 3.13Å
568	S	83.6	Confident	84.2	Confident	55 Å²	55	73.9 Å²	73.9	39%	0.385	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-37.8	172.2	53.8	0	0	0	0	113	Q566 N572	Q566-S568 WeakPolarHBondContact CB-OG 3.33Å; Q566-S568 PolarHBondContact O-N 3.36Å; Q566-S568 PolarHBondContact OE1-OG 3.41Å; S568-N572 WeakPolarHBondContact O-CB 3.42Å; S568-N572 PolarHBondContact O-N 2.92Å; S568-N572 PolarHBondContact O-ND2 2.85Å; S568-N572 PolarHBondContact O-OD1 2.67Å
569	Q	84.6	Confident	83.6	Confident	72 Å²	72	69.7 Å²	69.7	34%	0.336	36%	0.355	S	S	.	.	H	α-helix	trans	-70.4	-44.3	177.4	-62.3	165.9	-7.7	0	0	110.3	F564 Q566 S567 N572 H573	F564-Q569 HydrophobicContact CB-CB 4.06Å; F564-Q569 HydrophobicContact CD1-CB 3.79Å; F564-Q569 HydrophobicContact CG-CB 4.21Å; Q566-Q569 HydrophobicContact CB-CG 4.08Å; Q566-Q569 WeakPolarHBondContact O-CB 3.24Å; Q566-Q569 PolarHBondContact O-N 2.99Å; S567-Q569 VanDerWaalsContact C-N 3.32Å; S567-Q569 PolarHBondContact O-N 3.12Å; Q569-N572 PolarHBondContact O-N 3.27Å; Q569-H573 VanDerWaalsContact O-CB 3.28Å; Q569-H573 WeakPolarHBondContact O-CB 3.49Å; Q569-H573 PolarHBondContact O-N 2.89Å
570	L	87.6	Confident	83.3	Confident	25 Å²	25	66.3 Å²	66.3	13%	0.131	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-48.1	173.7	174.7	59.8	0	0	0	111.5	V556 C557 F564 Q566 S567 N572 H573 I574	V556-L570 WeakPolarHBondContact O-CD2 3.22Å; C557-L570 HydrophobicContact CB-CD1 3.52Å; F564-L570 HydrophobicContact CB-CB 4.36Å; F564-L570 HydrophobicContact CD2-CB 4.06Å; F564-L570 HydrophobicContact CD2-CD1 3.94Å; F564-L570 HydrophobicContact CE2-CD1 4.14Å; F564-L570 HydrophobicContact CG-CB 4.34Å; Q566-L570 PolarHBondContact O-N 3.35Å; S567-L570 PolarHBondContact O-N 3.32Å; L570-N572 PolarHBondContact O-N 3.26Å; L570-H573 CarbonylContact O-C 3.2Å; L570-H573 WeakPolarHBondContact O-CA 3.43Å; L570-H573 WeakPolarHBondContact O-CB 3.3Å; L570-H573 PolarHBondContact O-N 2.99Å; L570-H573 VanDerWaalsContact O-N 3.08Å; L570-I574 HydrophobicContact CD1-CD1 3.84Å; L570-I574 HydrophobicContact CD1-CG1 3.98Å; L570-I574 HydrophobicContact CD2-CD1 4.47Å; L570-I574 HydrophobicContact CG-CD1 3.82Å; L570-I574 HydrophobicContact CG-CG1 4.39Å; L570-I574 WeakPolarHBondContact O-CG1 3.43Å; L570-I574 PolarHBondContact O-N 3.46Å
571	A	84.6	Confident	83	Confident	40 Å²	40	69.2 Å²	69.2	33%	0.331	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-41.3	-179.6	0	0	0	0	0	112.7	S567 H573 R575	S567-A571 WeakPolarHBondContact O-CB 3.33Å; S567-A571 PolarHBondContact O-N 3.13Å; A571-H573 VanDerWaalsContact C-N 3.32Å; A571-R575 PolarHBondContact O-N 3.06Å
572	N	83.5	Confident	82.7	Confident	49 Å²	49	70.3 Å²	70.3	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-65.8	-37.2	173.4	-67.3	-11.8	0	0	0	111.2	S568 Q569 L570 R575 H576 V593 N594	S568-N572 WeakPolarHBondContact O-CB 3.42Å; S568-N572 PolarHBondContact O-N 2.92Å; S568-N572 PolarHBondContact O-ND2 2.85Å; S568-N572 PolarHBondContact O-OD1 2.67Å; Q569-N572 PolarHBondContact O-N 3.27Å; L570-N572 PolarHBondContact O-N 3.26Å; N572-R575 PolarHBondContact O-N 3.01Å; N572-R575 VanDerWaalsContact OD1-CZ 3.31Å; N572-R575 PolarHBondContact OD1-NH1 3.34Å; N572-R575 PolarHBondContact OD1-NH2 3.16Å; N572-R575 VanDerWaalsContact OD1-NH2 3.13Å; N572-H576 PolarHBondContact O-CD2 3.24Å; N572-H576 VanDerWaalsContact O-CD2 3.24Å; N572-H576 PolarHBondContact O-N 2.98Å; N572-V593 WeakPolarHBondContact O-CG1 3.43Å; N572-N594 WeakPolarHBondContact CB-OD1 3.36Å; N572-N594 PolarHBondContact ND2-OD1 3.09Å; N572-N594 VanDerWaalsContact ND2-OD1 3.16Å; N572-N594 PolarHBondContact OD1-OD1 2.8Å
573	H	85.2	Confident	82.5	Confident	28 Å²	28	67.2 Å²	67.2	13%	0.13	34%	0.338	C	S	.	.	H	α-helix	trans	-68.3	-38.6	176.5	171.1	51.4	0	0	0	113.5	C560 F564 Q569 L570 A571 R575 H576 H577	C560-H573 PolarHBondContact SG-NE2 3.46Å; F564-H573 HydrophobicContact CE1-CB 4.14Å; F564-H573 HydrophobicContact CE2-CB 4.19Å; F564-H573 AromaticContact CE2-CD2 3.23Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.16Å; F564-H573 AromaticContact CE2-CG 3.86Å; F564-H573 AromaticContact CE2-NE2 3.95Å; F564-H573 HydrophobicContact CZ-CB 3.71Å; F564-H573 AromaticContact CZ-CD2 3.21Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.35Å; F564-H573 AromaticContact CZ-CG 3.4Å; F564-H573 VanDerWaalsContact CZ-CG 3.4Å; F564-H573 AromaticContact CZ-NE2 3.85Å; Q569-H573 VanDerWaalsContact O-CB 3.28Å; Q569-H573 WeakPolarHBondContact O-CB 3.49Å; Q569-H573 PolarHBondContact O-N 2.89Å; L570-H573 CarbonylContact O-C 3.2Å; L570-H573 WeakPolarHBondContact O-CA 3.43Å; L570-H573 WeakPolarHBondContact O-CB 3.3Å; L570-H573 PolarHBondContact O-N 2.99Å; L570-H573 VanDerWaalsContact O-N 3.08Å; A571-H573 VanDerWaalsContact C-N 3.32Å; H573-R575 VanDerWaalsContact C-N 3.33Å; H573-R575 PolarHBondContact O-N 3.24Å; H573-H576 WeakPolarHBondContact O-CB 3.2Å; H573-H576 PolarHBondContact O-N 2.75Å; H573-H577 AromaticContact CE1-CD2 3.54Å; H573-H577 AromaticContact CE1-NE2 3.21Å; H573-H577 PolarHBondContact CE1-NE2 3.33Å; H573-H577 AromaticContact NE2-CD2 3.73Å; H573-H577 AromaticContact NE2-NE2 3.4Å; H573-H577 PolarHBondContact NE2-NE2 3.37Å; H573-H577 PolarHBondContact O-N 2.88Å
574	I	84.4	Confident	82.4	Confident	70 Å²	70	67.4 Å²	67.4	36%	0.359	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-43.8	174.2	-70.1	165.8	0	0	0	110.2	L570 H576 H577 D578	L570-I574 HydrophobicContact CD1-CD1 3.84Å; L570-I574 HydrophobicContact CD1-CG1 3.98Å; L570-I574 HydrophobicContact CD2-CD1 4.47Å; L570-I574 HydrophobicContact CG-CD1 3.82Å; L570-I574 HydrophobicContact CG-CG1 4.39Å; L570-I574 WeakPolarHBondContact O-CG1 3.43Å; L570-I574 PolarHBondContact O-N 3.46Å; I574-H576 PolarHBondContact O-N 2.76Å; I574-H576 VanDerWaalsContact O-N 3.09Å; I574-H577 WeakPolarHBondContact O-CA 3.42Å; I574-H577 WeakPolarHBondContact O-CB 3.33Å; I574-H577 PolarHBondContact O-N 2.88Å; I574-D578 WeakPolarHBondContact CG2-OD2 3.38Å; I574-D578 PolarHBondContact O-N 3.01Å; I574-D578 VanDerWaalsContact O-N 3.15Å
575	R	84.5	Confident	82.5	Confident	73 Å²	73	65.8 Å²	65.8	28%	0.275	34%	0.336	S	S	.	.	H	α-helix	trans	-57.3	-26.6	173.7	-67.9	-171.7	-143.6	115.8	18.9	114.1	A571 N572 H573 N579 I580 V593	A571-R575 PolarHBondContact O-N 3.06Å; N572-R575 PolarHBondContact O-N 3.01Å; N572-R575 VanDerWaalsContact OD1-CZ 3.31Å; N572-R575 PolarHBondContact OD1-NH1 3.34Å; N572-R575 PolarHBondContact OD1-NH2 3.16Å; N572-R575 VanDerWaalsContact OD1-NH2 3.13Å; H573-R575 VanDerWaalsContact C-N 3.33Å; H573-R575 PolarHBondContact O-N 3.24Å; R575-N579 CarbonylContact O-C 3.47Å; R575-N579 PolarHBondContact O-N 2.75Å; R575-N579 VanDerWaalsContact O-N 3.15Å; R575-I580 HydrophobicContact CB-CB 4.39Å; R575-I580 HydrophobicContact CG-CB 4.45Å; R575-I580 PolarHBondContact O-N 3.15Å; R575-V593 HydrophobicContact CB-CG1 3.56Å; R575-V593 HydrophobicContact CG-CG1 4.47Å; R575-V593 PolarHBondContact NH1-O 3.22Å; R575-V593 VanDerWaalsContact NH1-O 3.17Å
576	H	79.7	Confident	82.4	Confident	96 Å²	96	70.6 Å²	70.6	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-71.7	-31.9	171.8	-77.6	-86.5	0	0	0	112.9	N572 H573 I574	N572-H576 PolarHBondContact O-CD2 3.24Å; N572-H576 VanDerWaalsContact O-CD2 3.24Å; N572-H576 PolarHBondContact O-N 2.98Å; H573-H576 WeakPolarHBondContact O-CB 3.2Å; H573-H576 PolarHBondContact O-N 2.75Å; I574-H576 PolarHBondContact O-N 2.76Å; I574-H576 VanDerWaalsContact O-N 3.09Å
577	H	79.9	Confident	82.3	Confident	55 Å²	55	72 Å²	72	26%	0.255	38%	0.384	S	S	.	.	H	α-helix	trans	-71.1	-35.9	174.1	-81.6	-74	0	0	0	112.5	C560 H573 I574 N579	C560-H577 PolarHBondContact SG-NE2 3.47Å; H573-H577 AromaticContact CE1-CD2 3.54Å; H573-H577 AromaticContact CE1-NE2 3.21Å; H573-H577 PolarHBondContact CE1-NE2 3.33Å; H573-H577 AromaticContact NE2-CD2 3.73Å; H573-H577 AromaticContact NE2-NE2 3.4Å; H573-H577 PolarHBondContact NE2-NE2 3.37Å; H573-H577 PolarHBondContact O-N 2.88Å; I574-H577 WeakPolarHBondContact O-CA 3.42Å; I574-H577 WeakPolarHBondContact O-CB 3.33Å; I574-H577 PolarHBondContact O-N 2.88Å; H577-N579 VanDerWaalsContact C-N 3.29Å
578	D	79.5	Confident	82.3	Confident	73 Å²	73	70.9 Å²	70.9	39%	0.39	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	0.2	-179.4	-52.6	-38.2	0	0	0	112.7	R559 I574 I580	R559-D578 IonicContact CZ-OD1 3.24Å; R559-D578 IonicContact NH1-OD1 3.88Å; R559-D578 PolarHBondContact NH1-OD1 2.61Å; I574-D578 WeakPolarHBondContact CG2-OD2 3.38Å; I574-D578 PolarHBondContact O-N 3.01Å; I574-D578 VanDerWaalsContact O-N 3.15Å; D578-I580 HydrophobicContact CB-CD1 3.72Å; D578-I580 HydrophobicContact CB-CG1 3.78Å; D578-I580 PolarHBondContact O-N 3.08Å
579	N	73.8	Confident	82.1	Confident	108 Å²	108	72.6 Å²	72.6	58%	0.578	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	14.9	-171.6	-74.1	-75.9	0	0	0	115.3	R575 H577 R581	R575-N579 CarbonylContact O-C 3.47Å; R575-N579 PolarHBondContact O-N 2.75Å; R575-N579 VanDerWaalsContact O-N 3.15Å; H577-N579 VanDerWaalsContact C-N 3.29Å; N579-R581 WeakPolarHBondContact O-CG 2.98Å; N579-R581 PolarHBondContact O-N 3.11Å; N579-R581 VanDerWaalsContact O-N 3.07Å
580	I	76.7	Confident	81.9	Confident	91 Å²	91	75.3 Å²	75.3	47%	0.467	40%	0.397	S	S	.	.			trans	-66.7	109.1	178.4	-63.1	171.8	0	0	0	108.8	R575 D578 P582	R575-I580 HydrophobicContact CB-CB 4.39Å; R575-I580 HydrophobicContact CG-CB 4.45Å; R575-I580 PolarHBondContact O-N 3.15Å; D578-I580 HydrophobicContact CB-CD1 3.72Å; D578-I580 HydrophobicContact CB-CG1 3.78Å; D578-I580 PolarHBondContact O-N 3.08Å; I580-P582 HydrophobicContact CG2-CG 4.05Å; I580-P582 WeakPolarHBondContact O-CD 3.28Å
581	R	79.1	Confident	81.7	Confident	112 Å²	112	75.4 Å²	75.4	42%	0.423	40%	0.402	S	S	.	.			trans	-120.3	81.5	-178	-71.4	159.1	178	-95.2	4.4	109.6	N579 H583 A591 F592 V593	N579-R581 WeakPolarHBondContact O-CG 2.98Å; N579-R581 PolarHBondContact O-N 3.11Å; N579-R581 VanDerWaalsContact O-N 3.07Å; R581-H583 PolarHBondContact O-N 3.03Å; R581-A591 HydrophobicContact CB-CB 3.61Å; R581-A591 WeakPolarHBondContact CD-O 3.12Å; R581-A591 HydrophobicContact CG-CB 4.48Å; R581-A591 PolarHBondContact NH1-O 3.13Å; R581-F592 CarbonylContact C-O 3.51Å; R581-F592 VanDerWaalsContact C-O 3.28Å; R581-F592 WeakPolarHBondContact CA-O 3.33Å; R581-V593 HydrophobicContact CG-CG2 3.79Å
582	P	79.7	Confident	81.6	Confident	70 Å²	70	75.5 Å²	75.5	46%	0.455	40%	0.395	S	S	.	.			trans	-67.1	-24.6	-170.8	-19.2	32.7	0	0	0	113.5	I580 K584	I580-P582 HydrophobicContact CG2-CG 4.05Å; I580-P582 WeakPolarHBondContact O-CD 3.28Å; P582-K584 PolarHBondContact O-N 3.26Å
583	H	80.8	Confident	81.5	Confident	58 Å²	58	73.4 Å²	73.4	27%	0.269	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	88.6	-167.6	-55.6	-61.8	0	0	0	110.3	R581 F592 N594 V595 L598	R581-H583 PolarHBondContact O-N 3.03Å; H583-F592 HydrophobicContact CB-CB 4.49Å; H583-F592 PolarHBondContact N-O 3.35Å; H583-F592 VanDerWaalsContact N-O 3.1Å; H583-F592 PolarHBondContact O-N 3.4Å; H583-N594 VanDerWaalsContact CD2-C 3.49Å; H583-V595 PolarHBondContact CD2-N 3.33Å; H583-V595 WeakPolarHBondContact CE1-CG2 3.12Å; H583-L598 HydrophobicContact CB-CB 4.2Å; H583-L598 HydrophobicContact CB-CD2 3.85Å
584	K	84.1	Confident	81.4	Confident	154 Å²	154	73.5 Å²	73.5	67%	0.67	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.7	175.3	-60.2	-174.4	-178.8	-178.8	0	111.1	P582 A591	P582-K584 PolarHBondContact O-N 3.26Å; K584-A591 HydrophobicContact CG-CB 4.04Å
585	C	87.4	Confident	81.2	Confident	4 Å²	4	74.2 Å²	74.2	3%	0.027	39%	0.393	C	S	.	.			trans	-76.4	132.2	169.6	-175.3	0	0	0	0	110.6	V587 S589 K590 F592 L598	C585-V587 VanDerWaalsContact C-N 3.31Å; C585-V587 PolarHBondContact O-N 3.3Å; C585-V587 PolarHBondContact SG-N 3.19Å; C585-S589 WeakPolarHBondContact O-CA 3.38Å; C585-S589 PolarHBondContact O-N 2.79Å; C585-K590 WeakPolarHBondContact CB-O 3.42Å; C585-K590 PolarHBondContact N-O 2.92Å; C585-F592 HydrophobicContact CB-CE2 4.48Å; C585-L598 HydrophobicContact CB-CD1 3.67Å
586	S	83.5	Confident	81.1	Confident	116 Å²	116	72.6 Å²	72.6	81%	0.811	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.9	175.9	46.5	0	0	0	0	113.8
587	V	81.4	Confident	81.2	Confident	95 Å²	95	70.5 Å²	70.5	58%	0.576	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-35.3	-173.3	-173.3	0	0	0	0	112.7	C585 H605	C585-V587 VanDerWaalsContact C-N 3.31Å; C585-V587 PolarHBondContact O-N 3.3Å; C585-V587 PolarHBondContact SG-N 3.19Å; V587-H605 HydrophobicContact CB-CB 4.28Å; V587-H605 HydrophobicContact CG1-CB 4.07Å; V587-H605 HydrophobicContact CG2-CB 4.21Å
588	C	84.1	Confident	81.5	Confident	45 Å²	45	69 Å²	69	30%	0.304	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	16.7	-177.2	74.3	0	0	0	0	114.7	K590 H601 H605	C588-K590 PolarHBondContact O-N 3.41Å; C588-H601 PolarHBondContact SG-NE2 3.3Å; C588-H605 PolarHBondContact SG-CE1 2.8Å; C588-H605 PolarHBondContact SG-NE2 2.83Å
589	S	79.1	Confident	81.7	Confident	91 Å²	91	68.3 Å²	68.3	64%	0.636	39%	0.386	S	S	*	.			trans	59.9	-5.7	176.9	-62.9	0	0	0	0	117.4	C585 A591	C585-S589 WeakPolarHBondContact O-CA 3.38Å; C585-S589 PolarHBondContact O-N 2.79Å; S589-A591 PolarHBondContact O-N 2.65Å
590	K	81.7	Confident	82	Confident	128 Å²	128	67.8 Å²	67.8	56%	0.557	38%	0.379	S	S	*	.			trans	-57.4	133.5	178.6	-69	-178.1	-177.5	-178	0	110.7	C585 C588 F592	C585-K590 WeakPolarHBondContact CB-O 3.42Å; C585-K590 PolarHBondContact N-O 2.92Å; C588-K590 PolarHBondContact O-N 3.41Å; K590-F592 HydrophobicContact CB-CE2 3.97Å; K590-F592 HydrophobicContact CB-CZ 4.2Å; K590-F592 WeakPolarHBondContact O-CD2 3.28Å; K590-F592 VanDerWaalsContact O-CE2 3.25Å; K590-F592 WeakPolarHBondContact O-CE2 3.3Å
591	A	83.5	Confident	82.3	Confident	27 Å²	27	64.5 Å²	64.5	22%	0.223	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133	-167.7	0	0	0	0	0	113	R581 K584 S589	R581-A591 HydrophobicContact CB-CB 3.61Å; R581-A591 WeakPolarHBondContact CD-O 3.12Å; R581-A591 HydrophobicContact CG-CB 4.48Å; R581-A591 PolarHBondContact NH1-O 3.13Å; K584-A591 HydrophobicContact CG-CB 4.04Å; S589-A591 PolarHBondContact O-N 2.65Å
592	F	82.3	Confident	82.4	Confident	42 Å²	42	62.1 Å²	62.1	18%	0.184	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.5	-173	-59.7	-90.3	0	0	0	112.2	R581 H583 C585 K590 D597 L598 H601	R581-F592 CarbonylContact C-O 3.51Å; R581-F592 VanDerWaalsContact C-O 3.28Å; R581-F592 WeakPolarHBondContact CA-O 3.33Å; H583-F592 HydrophobicContact CB-CB 4.49Å; H583-F592 PolarHBondContact N-O 3.35Å; H583-F592 VanDerWaalsContact N-O 3.1Å; H583-F592 PolarHBondContact O-N 3.4Å; C585-F592 HydrophobicContact CB-CE2 4.48Å; K590-F592 HydrophobicContact CB-CE2 3.97Å; K590-F592 HydrophobicContact CB-CZ 4.2Å; K590-F592 WeakPolarHBondContact O-CD2 3.28Å; K590-F592 VanDerWaalsContact O-CE2 3.25Å; K590-F592 WeakPolarHBondContact O-CE2 3.3Å; F592-D597 HydrophobicContact CD1-CB 4.18Å; F592-L598 HydrophobicContact CB-CB 4.16Å; F592-L598 HydrophobicContact CD2-CB 4.01Å; F592-L598 HydrophobicContact CD2-CD1 3.88Å; F592-L598 HydrophobicContact CE2-CD1 4.16Å; F592-L598 HydrophobicContact CG-CB 4.21Å; F592-H601 HydrophobicContact CE1-CB 4.04Å; F592-H601 HydrophobicContact CE2-CB 3.99Å; F592-H601 AromaticContact CE2-CD2 3.3Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.3Å; F592-H601 AromaticContact CE2-CG 3.68Å; F592-H601 AromaticContact CE2-NE2 3.96Å; F592-H601 HydrophobicContact CZ-CB 3.57Å; F592-H601 AromaticContact CZ-CD2 3.4Å; F592-H601 VanDerWaalsContact CZ-CD2 3.4Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.26Å; F592-H601 AromaticContact CZ-CG 3.3Å; F592-H601 AromaticContact CZ-ND1 3.83Å; F592-H601 AromaticContact CZ-NE2 3.95Å
593	V	81.9	Confident	82.6	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.03	34%	0.343	C	S	.	.	S	Bend	trans	-78.7	-26.3	-178.5	178.9	0	0	0	0	112.4	N572 R575 R581	N572-V593 WeakPolarHBondContact O-CG1 3.43Å; R575-V593 HydrophobicContact CB-CG1 3.56Å; R575-V593 HydrophobicContact CG-CG1 4.47Å; R575-V593 PolarHBondContact NH1-O 3.22Å; R575-V593 VanDerWaalsContact NH1-O 3.17Å; R581-V593 HydrophobicContact CG-CG2 3.79Å
594	N	82.1	Confident	82.5	Confident	30 Å²	30	63.2 Å²	63.2	16%	0.16	36%	0.358	C	S	.	.	S	Bend	trans	-131.9	143.7	-177.6	-46.1	-57.1	0	0	0	111.2	N572 H583 G596 D597 L598	N572-N594 WeakPolarHBondContact CB-OD1 3.36Å; N572-N594 PolarHBondContact ND2-OD1 3.09Å; N572-N594 VanDerWaalsContact ND2-OD1 3.16Å; N572-N594 PolarHBondContact OD1-OD1 2.8Å; H583-N594 VanDerWaalsContact CD2-C 3.49Å; N594-G596 VanDerWaalsContact C-N 3.28Å; N594-G596 PolarHBondContact O-N 2.82Å; N594-D597 WeakPolarHBondContact CB-OD2 3.48Å; N594-D597 PolarHBondContact ND2-OD2 3.14Å; N594-D597 PolarHBondContact O-N 3.42Å; N594-D597 VanDerWaalsContact O-N 3.13Å; N594-L598 PolarHBondContact O-N 2.85Å
595	V	81.6	Confident	82.2	Confident	85 Å²	85	59.2 Å²	59.2	52%	0.515	34%	0.342	S	S	.	.	H	α-helix	trans	-53.2	-45.2	173.8	-177.8	0	0	0	0	111.7	H583 D597 L598 S599	H583-V595 PolarHBondContact CD2-N 3.33Å; H583-V595 WeakPolarHBondContact CE1-CG2 3.12Å; V595-D597 PolarHBondContact O-N 2.92Å; V595-L598 CarbonylContact O-C 3.59Å; V595-L598 WeakPolarHBondContact O-CB 3.4Å; V595-L598 PolarHBondContact O-N 3.23Å; V595-L598 VanDerWaalsContact O-N 3.13Å; V595-S599 PolarHBondContact O-N 3.43Å; V595-S599 PolarHBondContact O-OG 3.49Å
596	G	81.7	Confident	81.7	Confident	40 Å²	40	62.3 Å²	62.3	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-64.7	-21	-177.6	0	0	0	0	0	114.7	N594 K600	N594-G596 VanDerWaalsContact C-N 3.28Å; N594-G596 PolarHBondContact O-N 2.82Å; G596-K600 WeakPolarHBondContact O-CD 3.2Å; G596-K600 VanDerWaalsContact O-CE 3.29Å; G596-K600 WeakPolarHBondContact O-CE 3.36Å; G596-K600 VanDerWaalsContact O-CG 3.25Å; G596-K600 WeakPolarHBondContact O-CG 3.49Å; G596-K600 PolarHBondContact O-N 2.95Å
597	D	82.2	Confident	81.2	Confident	52 Å²	52	58.9 Å²	58.9	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-86.9	-34.1	174.7	-60.6	-47.1	0	0	0	111.4	F592 N594 V595 K600 H601	F592-D597 HydrophobicContact CD1-CB 4.18Å; N594-D597 WeakPolarHBondContact CB-OD2 3.48Å; N594-D597 PolarHBondContact ND2-OD2 3.14Å; N594-D597 PolarHBondContact O-N 3.42Å; N594-D597 VanDerWaalsContact O-N 3.13Å; V595-D597 PolarHBondContact O-N 2.92Å; D597-K600 PolarHBondContact O-N 3.02Å; D597-K600 IonicContact OD1-NZ 3.24Å; D597-K600 PolarHBondContact OD1-NZ 2.83Å; D597-H601 WeakPolarHBondContact O-CB 3.48Å; D597-H601 PolarHBondContact O-N 3.2Å; D597-H601 VanDerWaalsContact O-N 3.11Å
598	L	85.1	Confident	80.9	Confident	22 Å²	22	59.6 Å²	59.6	12%	0.115	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-43.7	165.2	172.4	60.4	0	0	0	111.3	H583 C585 F592 N594 V595 K600 H601 I602	H583-L598 HydrophobicContact CB-CB 4.2Å; H583-L598 HydrophobicContact CB-CD2 3.85Å; C585-L598 HydrophobicContact CB-CD1 3.67Å; F592-L598 HydrophobicContact CB-CB 4.16Å; F592-L598 HydrophobicContact CD2-CB 4.01Å; F592-L598 HydrophobicContact CD2-CD1 3.88Å; F592-L598 HydrophobicContact CE2-CD1 4.16Å; F592-L598 HydrophobicContact CG-CB 4.21Å; N594-L598 PolarHBondContact O-N 2.85Å; V595-L598 CarbonylContact O-C 3.59Å; V595-L598 WeakPolarHBondContact O-CB 3.4Å; V595-L598 PolarHBondContact O-N 3.23Å; V595-L598 VanDerWaalsContact O-N 3.13Å; L598-K600 PolarHBondContact O-N 3.36Å; L598-H601 CarbonylContact O-C 3.49Å; L598-H601 WeakPolarHBondContact O-CA 3.35Å; L598-H601 WeakPolarHBondContact O-CB 3.39Å; L598-H601 PolarHBondContact O-N 2.93Å; L598-H601 VanDerWaalsContact O-N 3.07Å; L598-I602 HydrophobicContact CD1-CD1 3.89Å; L598-I602 HydrophobicContact CD1-CG1 3.94Å; L598-I602 HydrophobicContact CD2-CD1 4.43Å; L598-I602 HydrophobicContact CG-CD1 3.81Å; L598-I602 HydrophobicContact CG-CG1 4.33Å; L598-I602 WeakPolarHBondContact O-CG1 3.29Å; L598-I602 PolarHBondContact O-N 3.12Å
599	S	83.4	Confident	80.6	Confident	59 Å²	59	63 Å²	63	41%	0.413	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-45.2	177.4	-57.6	0	0	0	0	112.3	V595 H601 I602 I603	V595-S599 PolarHBondContact O-N 3.43Å; V595-S599 PolarHBondContact O-OG 3.49Å; S599-H601 PolarHBondContact O-N 2.98Å; S599-I602 PolarHBondContact O-N 3.49Å; S599-I603 WeakPolarHBondContact O-CG1 3.38Å; S599-I603 PolarHBondContact O-N 2.94Å
600	K	81.2	Confident	80.5	Confident	98 Å²	98	62.3 Å²	62.3	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-33.2	173.6	-68.2	163.1	-156.4	165.3	0	112.4	G596 D597 L598	G596-K600 WeakPolarHBondContact O-CD 3.2Å; G596-K600 VanDerWaalsContact O-CE 3.29Å; G596-K600 WeakPolarHBondContact O-CE 3.36Å; G596-K600 VanDerWaalsContact O-CG 3.25Å; G596-K600 WeakPolarHBondContact O-CG 3.49Å; G596-K600 PolarHBondContact O-N 2.95Å; D597-K600 PolarHBondContact O-N 3.02Å; D597-K600 IonicContact OD1-NZ 3.24Å; D597-K600 PolarHBondContact OD1-NZ 2.83Å; L598-K600 PolarHBondContact O-N 3.36Å
601	H	82.9	Confident	80.4	Confident	22 Å²	22	60.5 Å²	60.5	10%	0.102	33%	0.334	C	S	.	.	H	α-helix	trans	-78.1	-35.6	178.8	174.8	64.6	0	0	0	113	C588 F592 D597 L598 S599 I603 I604 H605	C588-H601 PolarHBondContact SG-NE2 3.3Å; F592-H601 HydrophobicContact CE1-CB 4.04Å; F592-H601 HydrophobicContact CE2-CB 3.99Å; F592-H601 AromaticContact CE2-CD2 3.3Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.3Å; F592-H601 AromaticContact CE2-CG 3.68Å; F592-H601 AromaticContact CE2-NE2 3.96Å; F592-H601 HydrophobicContact CZ-CB 3.57Å; F592-H601 AromaticContact CZ-CD2 3.4Å; F592-H601 VanDerWaalsContact CZ-CD2 3.4Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.26Å; F592-H601 AromaticContact CZ-CG 3.3Å; F592-H601 AromaticContact CZ-ND1 3.83Å; F592-H601 AromaticContact CZ-NE2 3.95Å; D597-H601 WeakPolarHBondContact O-CB 3.48Å; D597-H601 PolarHBondContact O-N 3.2Å; D597-H601 VanDerWaalsContact O-N 3.11Å; L598-H601 CarbonylContact O-C 3.49Å; L598-H601 WeakPolarHBondContact O-CA 3.35Å; L598-H601 WeakPolarHBondContact O-CB 3.39Å; L598-H601 PolarHBondContact O-N 2.93Å; L598-H601 VanDerWaalsContact O-N 3.07Å; S599-H601 PolarHBondContact O-N 2.98Å; H601-I603 VanDerWaalsContact C-N 3.26Å; H601-I603 PolarHBondContact O-N 3.49Å; H601-I604 VanDerWaalsContact O-CB 3.25Å; H601-I604 WeakPolarHBondContact O-CB 3.18Å; H601-I604 WeakPolarHBondContact O-CG1 3.44Å; H601-I604 PolarHBondContact O-N 3.01Å; H601-H605 AromaticContact CD2-NE2 3.76Å; H601-H605 AromaticContact CE1-NE2 3.3Å; H601-H605 PolarHBondContact CE1-NE2 2.8Å; H601-H605 VanDerWaalsContact CE1-NE2 3.3Å; H601-H605 AromaticContact NE2-CD2 3.8Å; H601-H605 AromaticContact NE2-NE2 2.99Å; H601-H605 PolarHBondContact NE2-NE2 3.04Å
602	I	81.7	Confident	80.4	Confident	61 Å²	61	64 Å²	64	31%	0.313	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-35.8	176.1	-71.6	166.1	0	0	0	111.4	L598 S599 I604 H605 T606	L598-I602 HydrophobicContact CD1-CD1 3.89Å; L598-I602 HydrophobicContact CD1-CG1 3.94Å; L598-I602 HydrophobicContact CD2-CD1 4.43Å; L598-I602 HydrophobicContact CG-CD1 3.81Å; L598-I602 HydrophobicContact CG-CG1 4.33Å; L598-I602 WeakPolarHBondContact O-CG1 3.29Å; L598-I602 PolarHBondContact O-N 3.12Å; S599-I602 PolarHBondContact O-N 3.49Å; I602-I604 PolarHBondContact O-N 3.39Å; I602-I604 VanDerWaalsContact O-N 3.09Å; I602-H605 PolarHBondContact O-N 3.41Å; I602-T606 HydrophobicContact CG2-CG2 4.09Å; I602-T606 PolarHBondContact O-N 3.26Å
603	I	82.6	Confident	80.6	Confident	37 Å²	37	62.1 Å²	62.1	19%	0.19	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-18.6	175.2	-59.8	167	0	0	0	112.6	S599 H601 T606 G607 E608 N621	S599-I603 WeakPolarHBondContact O-CG1 3.38Å; S599-I603 PolarHBondContact O-N 2.94Å; H601-I603 VanDerWaalsContact C-N 3.26Å; H601-I603 PolarHBondContact O-N 3.49Å; I603-T606 WeakPolarHBondContact CA-OG1 3.35Å; I603-G607 PolarHBondContact O-N 3.11Å; I603-E608 HydrophobicContact CG2-CB 4.43Å; I603-E608 VanDerWaalsContact CG2-O 3.26Å; I603-E608 WeakPolarHBondContact CG2-O 3.39Å; I603-N621 HydrophobicContact CG2-CB 3.96Å; I603-N621 PolarHBondContact O-ND2 3.07Å
604	I	79.8	Confident	80.7	Confident	114 Å²	114	69.7 Å²	69.7	59%	0.585	38%	0.381	S	S	*	.	H	α-helix	trans	-75.3	-36.9	172.9	-51.8	176.8	0	0	0	110.4	H601 I602	H601-I604 VanDerWaalsContact O-CB 3.25Å; H601-I604 WeakPolarHBondContact O-CB 3.18Å; H601-I604 WeakPolarHBondContact O-CG1 3.44Å; H601-I604 PolarHBondContact O-N 3.01Å; I602-I604 PolarHBondContact O-N 3.39Å; I602-I604 VanDerWaalsContact O-N 3.09Å
605	H	77.1	Confident	80.5	Confident	70 Å²	70	74.8 Å²	74.8	32%	0.324	40%	0.402	S	S	.	.	H	α-helix	trans	-80.8	-37.1	-179.9	-62.4	-66.5	0	0	0	113.2	V587 C588 H601 I602 G607	V587-H605 HydrophobicContact CB-CB 4.28Å; V587-H605 HydrophobicContact CG1-CB 4.07Å; V587-H605 HydrophobicContact CG2-CB 4.21Å; C588-H605 PolarHBondContact SG-CE1 2.8Å; C588-H605 PolarHBondContact SG-NE2 2.83Å; H601-H605 AromaticContact CD2-NE2 3.76Å; H601-H605 AromaticContact CE1-NE2 3.3Å; H601-H605 PolarHBondContact CE1-NE2 2.8Å; H601-H605 VanDerWaalsContact CE1-NE2 3.3Å; H601-H605 AromaticContact NE2-CD2 3.8Å; H601-H605 AromaticContact NE2-NE2 2.99Å; H601-H605 PolarHBondContact NE2-NE2 3.04Å; I602-H605 PolarHBondContact O-N 3.41Å; H605-G607 PolarHBondContact O-N 3.43Å
606	T	77.8	Confident	80.6	Confident	69 Å²	69	73.9 Å²	73.9	42%	0.423	40%	0.399	S	S	.	.	S	Bend	trans	-73.4	-15.5	175.1	60.7	0	0	0	0	112.4	I602 I603 E608	I602-T606 HydrophobicContact CG2-CG2 4.09Å; I602-T606 PolarHBondContact O-N 3.26Å; I603-T606 WeakPolarHBondContact CA-OG1 3.35Å; T606-E608 VanDerWaalsContact CB-OE2 3.31Å; T606-E608 WeakPolarHBondContact CB-OE2 3.45Å; T606-E608 PolarHBondContact O-N 3.46Å; T606-E608 VanDerWaalsContact O-N 3.08Å; T606-E608 VanDerWaalsContact OG1-CD 3.26Å; T606-E608 WeakPolarHBondContact OG1-CG 3.45Å; T606-E608 PolarHBondContact OG1-OE2 3.22Å
607	G	72.2	Confident	80.5	Confident	44 Å²	44	74.5 Å²	74.5	45%	0.454	41%	0.405	S	S	.	.			trans	67.3	2.1	-175.7	0	0	0	0	0	114.1	I603 H605	I603-G607 PolarHBondContact O-N 3.11Å; H605-G607 PolarHBondContact O-N 3.43Å
608	E	75.7	Confident	80.4	Confident	110 Å²	110	80.2 Å²	80.2	51%	0.514	42%	0.423	S	S	.	.			trans	-61.1	142	-174.4	-71.9	165.6	143.9	0	0	111.4	I603 T606 N621	I603-E608 HydrophobicContact CG2-CB 4.43Å; I603-E608 VanDerWaalsContact CG2-O 3.26Å; I603-E608 WeakPolarHBondContact CG2-O 3.39Å; T606-E608 VanDerWaalsContact CB-OE2 3.31Å; T606-E608 WeakPolarHBondContact CB-OE2 3.45Å; T606-E608 PolarHBondContact O-N 3.46Å; T606-E608 VanDerWaalsContact O-N 3.08Å; T606-E608 VanDerWaalsContact OG1-CD 3.26Å; T606-E608 WeakPolarHBondContact OG1-CG 3.45Å; T606-E608 PolarHBondContact OG1-OE2 3.22Å; E608-N621 PolarHBondContact O-ND2 3.14Å
609	K	78.1	Confident	80.1	Confident	116 Å²	116	80 Å²	80	50%	0.504	43%	0.426	S	S	.	.			trans	-126.6	71.6	179.4	-75.9	164.1	174	176.8	0	109.8	Y611 G619 F620	K609-Y611 PolarHBondContact O-N 3.22Å; K609-Y611 VanDerWaalsContact O-N 3.07Å; K609-G619 WeakPolarHBondContact CD-O 3.42Å; K609-F620 CarbonylContact C-O 3.58Å; K609-F620 WeakPolarHBondContact CA-O 3.33Å
610	P	76.8	Confident	80	Confident	78 Å²	78	78.6 Å²	78.6	51%	0.506	41%	0.412	S	S	.	.			trans	-65.2	-14.9	-174	-19.1	33.1	0	0	0	113.6
611	Y	79.1	Confident	79.9	Confident	89 Å²	89	76.3 Å²	76.3	35%	0.349	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	84.6	-173.7	-51.9	-69.9	0	0	0	109.4	K609 F620 V623	K609-Y611 PolarHBondContact O-N 3.22Å; K609-Y611 VanDerWaalsContact O-N 3.07Å; Y611-F620 WeakPolarHBondContact CB-O 3.38Å; Y611-F620 PolarHBondContact N-O 2.9Å; Y611-F620 PolarHBondContact O-N 3.33Å; Y611-V623 HydrophobicContact CD1-CG2 3.6Å; Y611-V623 HydrophobicContact CD2-CG2 4.3Å; Y611-V623 HydrophobicContact CE1-CG2 3.29Å; Y611-V623 HydrophobicContact CE2-CG2 4.05Å; Y611-V623 HydrophobicContact CG-CG2 4.09Å
612	L	82.9	Confident	79.7	Confident	102 Å²	102	80.4 Å²	80.4	53%	0.534	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	150.6	172.1	-54.9	-174.7	0	0	0	110.6	L626	L612-L626 WeakPolarHBondContact O-CD2 3.06Å
613	C	86.8	Confident	79.7	Confident	2 Å²	2	80.3 Å²	80.3	1%	0.014	42%	0.421	C	S	.	.			trans	-90.7	114.5	170.1	-174.5	0	0	0	0	111.3	K615 C616 G617 R618 F620 L626 H629 H634	C613-K615 PolarHBondContact O-N 2.97Å; C613-C616 PolarHBondContact O-N 3.18Å; C613-C616 VanDerWaalsContact O-N 3.09Å; C613-G617 WeakPolarHBondContact O-CA 3.46Å; C613-G617 PolarHBondContact O-N 3.2Å; C613-R618 PolarHBondContact N-O 3.04Å; C613-F620 HydrophobicContact CB-CE2 4.32Å; C613-L626 HydrophobicContact CB-CD1 3.56Å; C613-H629 PolarHBondContact SG-NE2 3.36Å; C613-H634 PolarHBondContact SG-CD2 2.87Å
614	D	84	Confident	79.7	Confident	164 Å²	164	82.6 Å²	82.6	88%	0.877	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.6	-179.7	-43.3	-52.5	0	0	0	113.9
615	K	78.8	Confident	79.9	Confident	137 Å²	137	80.8 Å²	80.8	60%	0.596	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-11.1	-177.7	-71.6	-176.4	170.3	-162.8	0	115.4	C613 H634	C613-K615 PolarHBondContact O-N 2.97Å; K615-H634 HydrophobicContact CD-CB 3.56Å; K615-H634 PolarHBondContact NZ-O 2.92Å
616	C	83.4	Confident	80.3	Confident	66 Å²	66	78.9 Å²	78.9	45%	0.446	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	6.3	178	69.9	0	0	0	0	115.6	C613 R618 H629 H634	C613-C616 PolarHBondContact O-N 3.18Å; C613-C616 VanDerWaalsContact O-N 3.09Å; C616-R618 PolarHBondContact O-N 3.26Å; C616-R618 VanDerWaalsContact SG-CB 3.5Å; C616-H629 PolarHBondContact SG-NE2 3.02Å; C616-H634 PolarHBondContact SG-NE2 2.98Å
617	G	79.3	Confident	80.6	Confident	53 Å²	53	84.3 Å²	84.3	55%	0.546	43%	0.43	S	S	.	.			trans	68.3	-7.9	-177.4	0	0	0	0	0	115.5	C613 G619	C613-G617 WeakPolarHBondContact O-CA 3.46Å; C613-G617 PolarHBondContact O-N 3.2Å; G617-G619 PolarHBondContact O-N 2.91Å
618	R	79.3	Confident	81.1	Confident	172 Å²	172	85.8 Å²	85.8	65%	0.649	43%	0.433	S	S	*	.			trans	-64.6	120.3	-174.3	-167	168.4	-175	153.3	1.4	110.8	C613 C616 F620	C613-R618 PolarHBondContact N-O 3.04Å; C616-R618 PolarHBondContact O-N 3.26Å; C616-R618 VanDerWaalsContact SG-CB 3.5Å; R618-F620 HydrophobicContact CB-CE2 3.97Å; R618-F620 HydrophobicContact CB-CZ 4.27Å; R618-F620 HydrophobicContact CG-CE2 3.94Å; R618-F620 HydrophobicContact CG-CZ 3.83Å; R618-F620 WeakPolarHBondContact O-CD2 3.34Å; R618-F620 WeakPolarHBondContact O-CE2 3.43Å
619	G	80.1	Confident	81.5	Confident	17 Å²	17	81.4 Å²	81.4	18%	0.175	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.8	-179.3	0	0	0	0	0	114	K609 G617	K609-G619 WeakPolarHBondContact CD-O 3.42Å; G617-G619 PolarHBondContact O-N 2.91Å
620	F	79.6	Confident	81.7	Confident	30 Å²	30	77.5 Å²	77.5	13%	0.132	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.7	178.9	-62	-88.8	0	0	0	112.2	K609 Y611 C613 R618 R622 N625 L626 H629	K609-F620 CarbonylContact C-O 3.58Å; K609-F620 WeakPolarHBondContact CA-O 3.33Å; Y611-F620 WeakPolarHBondContact CB-O 3.38Å; Y611-F620 PolarHBondContact N-O 2.9Å; Y611-F620 PolarHBondContact O-N 3.33Å; C613-F620 HydrophobicContact CB-CE2 4.32Å; R618-F620 HydrophobicContact CB-CE2 3.97Å; R618-F620 HydrophobicContact CB-CZ 4.27Å; R618-F620 HydrophobicContact CG-CE2 3.94Å; R618-F620 HydrophobicContact CG-CZ 3.83Å; R618-F620 WeakPolarHBondContact O-CD2 3.34Å; R618-F620 WeakPolarHBondContact O-CE2 3.43Å; F620-R622 PolarHBondContact O-N 3.32Å; F620-N625 HydrophobicContact CB-CB 4.27Å; F620-N625 HydrophobicContact CD1-CB 3.92Å; F620-N625 HydrophobicContact CG-CB 4.41Å; F620-L626 HydrophobicContact CB-CB 4.17Å; F620-L626 HydrophobicContact CD2-CB 4.03Å; F620-L626 HydrophobicContact CD2-CD1 3.87Å; F620-L626 HydrophobicContact CE2-CD1 4.17Å; F620-L626 HydrophobicContact CG-CB 4.24Å; F620-H629 HydrophobicContact CE1-CB 3.92Å; F620-H629 HydrophobicContact CE2-CB 4Å; F620-H629 AromaticContact CE2-CD2 3.24Å; F620-H629 WeakPolarHBondContact CE2-CD2 3.33Å; F620-H629 AromaticContact CE2-CG 3.62Å; F620-H629 AromaticContact CE2-NE2 3.86Å; F620-H629 HydrophobicContact CZ-CB 3.48Å; F620-H629 VanDerWaalsContact CZ-CB 3.48Å; F620-H629 AromaticContact CZ-CD2 3.38Å; F620-H629 WeakPolarHBondContact CZ-CD2 3.49Å; F620-H629 AromaticContact CZ-CG 3.23Å; F620-H629 AromaticContact CZ-ND1 3.79Å; F620-H629 AromaticContact CZ-NE2 3.98Å
621	N	80.2	Confident	82	Confident	49 Å²	49	80.7 Å²	80.7	26%	0.262	41%	0.405	S	S	.	.	S	Bend	trans	-73.4	-13.5	178.7	-51.4	68	0	0	0	112.9	I603 E608	I603-N621 HydrophobicContact CG2-CB 3.96Å; I603-N621 PolarHBondContact O-ND2 3.07Å; E608-N621 PolarHBondContact O-ND2 3.14Å
622	R	79.5	Confident	82.2	Confident	108 Å²	108	81.4 Å²	81.4	41%	0.408	42%	0.419	S	S	.	.	S	Bend	trans	-145	144.9	-176	-68.2	178.9	65	154.1	-5.3	112.4	F620 D624 N625 L626	F620-R622 PolarHBondContact O-N 3.32Å; R622-D624 IonicContact CZ-OD2 3.82Å; R622-D624 VanDerWaalsContact CZ-OD2 3.23Å; R622-D624 IonicContact NE-OD2 3.86Å; R622-D624 PolarHBondContact NE-OD2 2.68Å; R622-D624 IonicContact NH2-OD2 2.74Å; R622-D624 PolarHBondContact NH2-OD2 3.26Å; R622-D624 PolarHBondContact O-N 2.95Å; R622-N625 HydrophobicContact CB-CB 4.36Å; R622-N625 PolarHBondContact O-N 3.25Å; R622-L626 PolarHBondContact O-N 3.17Å; R622-L626 VanDerWaalsContact O-N 3.07Å
623	V	81.1	Confident	82	Confident	60 Å²	60	80.9 Å²	80.9	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-55.9	-39.4	170.4	-177.4	0	0	0	0	111.6	Y611 N625 L626 R627	Y611-V623 HydrophobicContact CD1-CG2 3.6Å; Y611-V623 HydrophobicContact CD2-CG2 4.3Å; Y611-V623 HydrophobicContact CE1-CG2 3.29Å; Y611-V623 HydrophobicContact CE2-CG2 4.05Å; Y611-V623 HydrophobicContact CG-CG2 4.09Å; V623-N625 PolarHBondContact O-N 3.13Å; V623-L626 PolarHBondContact O-N 3.36Å; V623-R627 VanDerWaalsContact O-CB 3.28Å; V623-R627 WeakPolarHBondContact O-CB 2.96Å; V623-R627 PolarHBondContact O-N 3.02Å
624	D	82.5	Confident	81.6	Confident	84 Å²	84	82.9 Å²	82.9	45%	0.449	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-45.8	-179.3	-42.5	-59.2	0	0	0	110.9	R622 R627 S628	R622-D624 IonicContact CZ-OD2 3.82Å; R622-D624 VanDerWaalsContact CZ-OD2 3.23Å; R622-D624 IonicContact NE-OD2 3.86Å; R622-D624 PolarHBondContact NE-OD2 2.68Å; R622-D624 IonicContact NH2-OD2 2.74Å; R622-D624 PolarHBondContact NH2-OD2 3.26Å; R622-D624 PolarHBondContact O-N 2.95Å; D624-R627 PolarHBondContact O-N 3.23Å; D624-S628 WeakPolarHBondContact O-CB 3.47Å; D624-S628 PolarHBondContact O-N 3.46Å; D624-S628 PolarHBondContact O-OG 2.64Å
625	N	83.4	Confident	80.9	Confident	77 Å²	77	80.4 Å²	80.4	41%	0.412	41%	0.412	S	S	.	.	H	α-helix	trans	-66.9	-42.8	179.6	-61.1	30.2	0	0	0	110.9	F620 R622 V623 S628 H629	F620-N625 HydrophobicContact CB-CB 4.27Å; F620-N625 HydrophobicContact CD1-CB 3.92Å; F620-N625 HydrophobicContact CG-CB 4.41Å; R622-N625 HydrophobicContact CB-CB 4.36Å; R622-N625 PolarHBondContact O-N 3.25Å; V623-N625 PolarHBondContact O-N 3.13Å; N625-S628 PolarHBondContact O-N 3.12Å; N625-H629 VanDerWaalsContact O-CB 3.29Å; N625-H629 WeakPolarHBondContact O-CB 3.36Å; N625-H629 PolarHBondContact O-N 3.44Å
626	L	84.8	Confident	79.7	Confident	29 Å²	29	76.7 Å²	76.7	15%	0.152	41%	0.412	C	S	.	.	H	α-helix	trans	-60	-45.8	172.6	171.5	61.1	0	0	0	111.2	L612 C613 F620 R622 V623 H629 V630	L612-L626 WeakPolarHBondContact O-CD2 3.06Å; C613-L626 HydrophobicContact CB-CD1 3.56Å; F620-L626 HydrophobicContact CB-CB 4.17Å; F620-L626 HydrophobicContact CD2-CB 4.03Å; F620-L626 HydrophobicContact CD2-CD1 3.87Å; F620-L626 HydrophobicContact CE2-CD1 4.17Å; F620-L626 HydrophobicContact CG-CB 4.24Å; R622-L626 PolarHBondContact O-N 3.17Å; R622-L626 VanDerWaalsContact O-N 3.07Å; V623-L626 PolarHBondContact O-N 3.36Å; L626-H629 PolarHBondContact O-N 3.22Å; L626-V630 HydrophobicContact CD1-CG2 3.82Å; L626-V630 HydrophobicContact CG-CG2 4.39Å; L626-V630 WeakPolarHBondContact O-CB 3.32Å; L626-V630 WeakPolarHBondContact O-CG2 3.49Å; L626-V630 PolarHBondContact O-N 3.18Å
627	R	84.3	Confident	78.3	Confident	183 Å²	183	82.4 Å²	82.4	69%	0.691	43%	0.429	S	S	*	.	H	α-helix	trans	-64.1	-43.6	-179.9	-179.6	173.6	-68.3	-175.3	-1.1	111.7	V623 D624 V630 K631	V623-R627 VanDerWaalsContact O-CB 3.28Å; V623-R627 WeakPolarHBondContact O-CB 2.96Å; V623-R627 PolarHBondContact O-N 3.02Å; D624-R627 PolarHBondContact O-N 3.23Å; R627-V630 PolarHBondContact O-N 3.06Å; R627-K631 VanDerWaalsContact O-CB 3.31Å; R627-K631 WeakPolarHBondContact O-CB 3.3Å; R627-K631 PolarHBondContact O-N 3.14Å
628	S	82.9	Confident	76.5	Confident	75 Å²	75	84.6 Å²	84.6	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-46	174	-69	0	0	0	0	111.1	D624 N625 K631 T632	D624-S628 WeakPolarHBondContact O-CB 3.47Å; D624-S628 PolarHBondContact O-N 3.46Å; D624-S628 PolarHBondContact O-OG 2.64Å; N625-S628 PolarHBondContact O-N 3.12Å; S628-K631 PolarHBondContact O-N 3.42Å; S628-T632 WeakPolarHBondContact O-CG2 3.43Å; S628-T632 PolarHBondContact O-N 3.15Å; S628-T632 PolarHBondContact O-OG1 2.93Å; S628-T632 VanDerWaalsContact O-OG1 3.04Å
629	H	83.8	Confident	74.5	Confident	19 Å²	19	79.8 Å²	79.8	9%	0.088	45%	0.446	C	S	.	.	H	α-helix	trans	-61.2	-45.8	175.8	162.2	67.9	0	0	0	113.1	C613 C616 F620 N625 L626 K631 T632 V633 H634	C613-H629 PolarHBondContact SG-NE2 3.36Å; C616-H629 PolarHBondContact SG-NE2 3.02Å; F620-H629 HydrophobicContact CE1-CB 3.92Å; F620-H629 HydrophobicContact CE2-CB 4Å; F620-H629 AromaticContact CE2-CD2 3.24Å; F620-H629 WeakPolarHBondContact CE2-CD2 3.33Å; F620-H629 AromaticContact CE2-CG 3.62Å; F620-H629 AromaticContact CE2-NE2 3.86Å; F620-H629 HydrophobicContact CZ-CB 3.48Å; F620-H629 VanDerWaalsContact CZ-CB 3.48Å; F620-H629 AromaticContact CZ-CD2 3.38Å; F620-H629 WeakPolarHBondContact CZ-CD2 3.49Å; F620-H629 AromaticContact CZ-CG 3.23Å; F620-H629 AromaticContact CZ-ND1 3.79Å; F620-H629 AromaticContact CZ-NE2 3.98Å; N625-H629 VanDerWaalsContact O-CB 3.29Å; N625-H629 WeakPolarHBondContact O-CB 3.36Å; N625-H629 PolarHBondContact O-N 3.44Å; L626-H629 PolarHBondContact O-N 3.22Å; H629-K631 PolarHBondContact O-N 3.28Å; H629-T632 PolarHBondContact O-N 3.4Å; H629-V633 VanDerWaalsContact ND1-CG2 3.34Å; H629-V633 WeakPolarHBondContact ND1-CG2 3.4Å; H629-V633 VanDerWaalsContact O-CB 3.31Å; H629-V633 WeakPolarHBondContact O-CB 3.18Å; H629-V633 PolarHBondContact O-N 3.06Å; H629-H634 AromaticContact CE1-CD2 3.9Å; H629-H634 AromaticContact CE1-NE2 3.69Å; H629-H634 AromaticContact NE2-CD2 3.56Å; H629-H634 AromaticContact NE2-NE2 3.44Å; H629-H634 PolarHBondContact NE2-NE2 3.33Å
630	V	83.4	Confident	72.6	Confident	34 Å²	34	85.3 Å²	85.3	21%	0.206	47%	0.47	C	S	.	.	H	α-helix	trans	-60.7	-38.6	174.7	169.1	0	0	0	0	110.4	L626 R627 H634 Q635	L626-V630 HydrophobicContact CD1-CG2 3.82Å; L626-V630 HydrophobicContact CG-CG2 4.39Å; L626-V630 WeakPolarHBondContact O-CB 3.32Å; L626-V630 WeakPolarHBondContact O-CG2 3.49Å; L626-V630 PolarHBondContact O-N 3.18Å; R627-V630 PolarHBondContact O-N 3.06Å; V630-H634 CarbonylContact O-C 3.54Å; V630-H634 VanDerWaalsContact O-CA 3.29Å; V630-H634 WeakPolarHBondContact O-CA 3.26Å; V630-H634 WeakPolarHBondContact O-CB 3.49Å; V630-H634 PolarHBondContact O-N 3.03Å; V630-Q635 HydrophobicContact CG1-CG 4.36Å; V630-Q635 WeakPolarHBondContact O-CG 3.37Å; V630-Q635 PolarHBondContact O-N 2.93Å
631	K	83.2	Confident	70.3	Confident	144 Å²	144	92.6 Å²	92.6	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-69	-42.2	177.7	-167.5	177.6	-179.4	-174.5	0	113.1	R627 S628 H629 Q635	R627-K631 VanDerWaalsContact O-CB 3.31Å; R627-K631 WeakPolarHBondContact O-CB 3.3Å; R627-K631 PolarHBondContact O-N 3.14Å; S628-K631 PolarHBondContact O-N 3.42Å; H629-K631 PolarHBondContact O-N 3.28Å; K631-Q635 CarbonylContact O-C 3.28Å
632	T	83.4	Confident	67.9	Low	105 Å²	105	97.6 Å²	97.6	64%	0.644	53%	0.527	S	S	*	.	H	α-helix	trans	-85.7	-39	-175.8	56.4	0	0	0	0	113.7	S628 H629	S628-T632 WeakPolarHBondContact O-CG2 3.43Å; S628-T632 PolarHBondContact O-N 3.15Å; S628-T632 PolarHBondContact O-OG1 2.93Å; S628-T632 VanDerWaalsContact O-OG1 3.04Å; H629-T632 PolarHBondContact O-N 3.4Å
633	V	78	Confident	65.6	Low	90 Å²	90	99.6 Å²	99.6	55%	0.545	55%	0.545	S	S	.	.	H	α-helix	trans	-96.7	-25.6	-174.8	-173.8	0	0	0	0	112.5	H629	H629-V633 VanDerWaalsContact ND1-CG2 3.34Å; H629-V633 WeakPolarHBondContact ND1-CG2 3.4Å; H629-V633 VanDerWaalsContact O-CB 3.31Å; H629-V633 WeakPolarHBondContact O-CB 3.18Å; H629-V633 PolarHBondContact O-N 3.06Å
634	H	79	Confident	63.3	Low	45 Å²	45	105.1 Å²	105.1	21%	0.208	57%	0.567	C	S	.	*	S	Bend	trans	-127.3	5.9	-171.7	-63.5	-56.1	0	0	0	116.1	C613 K615 C616 H629 V630	C613-H634 PolarHBondContact SG-CD2 2.87Å; K615-H634 HydrophobicContact CD-CB 3.56Å; K615-H634 PolarHBondContact NZ-O 2.92Å; C616-H634 PolarHBondContact SG-NE2 2.98Å; H629-H634 AromaticContact CE1-CD2 3.9Å; H629-H634 AromaticContact CE1-NE2 3.69Å; H629-H634 AromaticContact NE2-CD2 3.56Å; H629-H634 AromaticContact NE2-NE2 3.44Å; H629-H634 PolarHBondContact NE2-NE2 3.33Å; V630-H634 CarbonylContact O-C 3.54Å; V630-H634 VanDerWaalsContact O-CA 3.29Å; V630-H634 WeakPolarHBondContact O-CA 3.26Å; V630-H634 WeakPolarHBondContact O-CB 3.49Å; V630-H634 PolarHBondContact O-N 3.03Å
635	Q	69.1	Low	60.9	Low	112 Å²	112	107 Å²	107	52%	0.523	58%	0.584	S	S	.	*	S	Bend	trans	-134.9	28	172.1	-61.4	177	-20.3	0	0	111.2	V630 K631 K637	V630-Q635 HydrophobicContact CG1-CG 4.36Å; V630-Q635 WeakPolarHBondContact O-CG 3.37Å; V630-Q635 PolarHBondContact O-N 2.93Å; K631-Q635 CarbonylContact O-C 3.28Å; Q635-K637 PolarHBondContact O-N 3.3Å
636	G	53.1	Low	58.5	Low	58 Å²	58	112.2 Å²	112.2	60%	0.598	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	123.5	-178.1	0	0	0	0	0	112.8	A638	G636-A638 VanDerWaalsContact C-N 3.25Å; G636-A638 PolarHBondContact O-N 2.64Å; G636-A638 VanDerWaalsContact O-N 3.08Å
637	K	54.7	Low	56.3	Low	187 Å²	187	120.1 Å²	120.1	81%	0.813	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	55	20.9	170.6	-60.7	-172.3	178.7	-177.7	0	117.6	Q635 G639	Q635-K637 PolarHBondContact O-N 3.3Å; K637-G639 PolarHBondContact O-N 3.42Å
638	A	41.9	Very low	54.4	Low	99 Å²	99	115.1 Å²	115.1	82%	0.818	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	67.8	166	0	0	0	0	0	111.5	G636	G636-A638 VanDerWaalsContact C-N 3.25Å; G636-A638 PolarHBondContact O-N 2.64Å; G636-A638 VanDerWaalsContact O-N 3.08Å
639	G	37	Very low	51.8	Low	71 Å²	71	117.1 Å²	117.1	73%	0.732	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-174.8	-12.4	-172.8	0	0	0	0	0	116.6	K637 K641	K637-G639 PolarHBondContact O-N 3.42Å; G639-K641 PolarHBondContact O-N 3.1Å
640	I	39.7	Very low	49.1	Very low	132 Å²	132	125.2 Å²	125.2	68%	0.677	70%	0.699	S	S	*	*			trans	-80.3	104.7	164.3	-57.2	176.6	0	0	0	106.6	I642	I640-I642 PolarHBondContact O-N 3.12Å
641	K	31.7	Very low	46.5	Very low	183 Å²	183	129.6 Å²	129.6	80%	0.796	73%	0.725	S	S	*	*			trans	-65.1	123.3	160.5	-76.6	-175.6	176	-177.4	0	106.9	G639 L643	G639-K641 PolarHBondContact O-N 3.1Å; K641-L643 VanDerWaalsContact C-N 3.28Å; K641-L643 PolarHBondContact O-N 3.13Å
642	I	28.9	Very low	43.7	Very low	155 Å²	155	127.2 Å²	127.2	80%	0.795	73%	0.727	S	S	*	*			trans	-68.9	98.7	159	-60.3	171.5	0	0	0	105.4	I640	I640-I642 PolarHBondContact O-N 3.12Å
643	L	31.2	Very low	41.1	Very low	149 Å²	149	128 Å²	128	78%	0.78	73%	0.732	S	S	*	*			trans	-81.4	139.8	146.4	-68.5	173	0	0	0	105.9	K641	K641-L643 VanDerWaalsContact C-N 3.28Å; K641-L643 PolarHBondContact O-N 3.13Å
644	E	32.4	Very low	38.6	Very low	176 Å²	176	129.9 Å²	129.9	82%	0.822	74%	0.743	S	S	*	*			trans	-67.3	142.6	172.8	-66.2	170.2	126.4	0	0	108.9	E646	E644-E646 PolarHBondContact O-N 3.41Å; E644-E646 VanDerWaalsContact O-N 3.09Å
645	P	34	Very low	36.3	Very low	125 Å²	125	133 Å²	133	81%	0.812	77%	0.765	S	S	*	*			trans	-79.6	96	-172.5	31.4	-34.5	0	0	0	111.4
646	E	32.7	Very low	34.8	Very low	185 Å²	185	134.6 Å²	134.6	86%	0.864	78%	0.782	S	S	*	*			trans	-69.6	146.9	149.2	-70.1	-71.5	129.6	0	0	108.8	E644	E644-E646 PolarHBondContact O-N 3.41Å; E644-E646 VanDerWaalsContact O-N 3.09Å
647	E	37.7	Very low	33.9	Very low	196 Å²	196	139 Å²	139	92%	0.916	79%	0.792	S	S	*	*	S	Bend	trans	-68.1	142.6	-152.2	-55.7	-180	135.3	0	0	115.9
648	G	45.2	Very low	33	Very low	78 Å²	78	137 Å²	137	80%	0.804	79%	0.79	S	S	*	*			trans	102.2	51.4	140.3	0	0	0	0	0	120.8
649	S	27.3	Very low	32.6	Very low	116 Å²	116	141.1 Å²	141.1	81%	0.811	80%	0.795	S	S	*	*			trans	-154.1	126.3	145.8	53.9	0	0	0	0	112.8
650	E	27.9	Very low	32.4	Very low	189 Å²	189	144 Å²	144	88%	0.883	80%	0.798	S	S	*	*			trans	-97.9	124.3	-179.7	-175.2	169	-156.5	0	0	110.6
651	V	29.1	Very low	32	Very low	126 Å²	126	142.9 Å²	142.9	76%	0.764	80%	0.798	S	S	*	*			trans	-109.2	89.7	178.7	-177.7	0	0	0	0	109.5	V653	V651-V653 PolarHBondContact O-N 2.9Å
652	S	24.6	Very low	32	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	80%	0.803	S	S	*	*			trans	-75	99.4	-179.6	59	0	0	0	0	112.2	V654	S652-V654 PolarHBondContact O-N 3.44Å
653	V	28.6	Very low	32	Very low	122 Å²	122	139.3 Å²	139.3	74%	0.739	80%	0.8	S	S	*	*			trans	-83.8	92.8	167.9	-178.6	0	0	0	0	109	V651 T655	V651-V653 PolarHBondContact O-N 2.9Å; V653-T655 PolarHBondContact O-N 3.06Å
654	V	25.4	Very low	32.2	Very low	128 Å²	128	137.1 Å²	137.1	78%	0.776	79%	0.793	S	S	*	*			trans	-77.6	104.9	174.4	-177.7	0	0	0	0	109.6	S652	S652-V654 PolarHBondContact O-N 3.44Å
655	T	30.7	Very low	32.4	Very low	110 Å²	110	137.8 Å²	137.8	68%	0.675	80%	0.796	S	S	*	*			trans	-86.3	126.3	165.2	46	0	0	0	0	109.9	V653 D657	V653-T655 PolarHBondContact O-N 3.06Å; T655-D657 VanDerWaalsContact C-N 3.29Å; T655-D657 PolarHBondContact O-N 3.06Å
656	V	36.7	Very low	32.3	Very low	146 Å²	146	136 Å²	136	89%	0.885	79%	0.791	S	S	*	*	S	Bend	trans	-74.9	78.6	174.5	-80.7	0	0	0	0	111.4
657	D	35.1	Very low	32.2	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	79%	0.793	S	S	*	*			trans	-146.6	28.7	172.7	-143	-3.1	0	0	0	112.1	T655	T655-D657 VanDerWaalsContact C-N 3.29Å; T655-D657 PolarHBondContact O-N 3.06Å
658	D	35.3	Very low	31.7	Very low	144 Å²	144	131 Å²	131	77%	0.77	79%	0.791	S	S	*	*	S	Bend	trans	-145.9	46.1	-173.4	-126	-21.7	0	0	0	112.3
659	M	33.9	Very low	30.8	Very low	187 Å²	187	131.8 Å²	131.8	92%	0.921	79%	0.79	S	S	*	*	S	Bend	trans	-143.2	2.4	179.6	-129.9	-179.1	-162.3	0	0	117.8
660	V	33.1	Very low	31.1	Very low	132 Å²	132	133 Å²	133	80%	0.8	79%	0.792	S	S	*	*	S	Bend	trans	-137.8	48.3	177	-158.3	0	0	0	0	113.1
661	T	31.1	Very low	31	Very low	108 Å²	108	128.2 Å²	128.2	66%	0.663	79%	0.785	S	S	*	*	S	Bend	trans	-131.2	8.1	175.9	41.7	0	0	0	0	114.8
662	L	31.6	Very low	30.7	Very low	175 Å²	175	128.2 Å²	128.2	92%	0.916	79%	0.785	S	S	*	*	S	Bend	trans	-127.9	53	168	-78.3	178	0	0	0	112.5
663	A	28.3	Very low	30.8	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	79%	0.785	S	S	*	*			trans	-135	28.1	170	0	0	0	0	0	112.5
664	T	35.1	Very low	30.7	Very low	103 Å²	103	131 Å²	131	63%	0.632	79%	0.787	S	S	*	*			trans	-76.4	-32.8	-178.4	38.9	0	0	0	0	113.9	A666	T664-A666 PolarHBondContact O-N 3.37Å; T664-A666 VanDerWaalsContact O-N 3.09Å
665	E	37.6	Very low	30.7	Very low	190 Å²	190	131.7 Å²	131.7	89%	0.888	79%	0.786	S	S	*	*	S	Bend	trans	-72.1	21	-159.3	48.6	161.3	109.5	0	0	121.3
666	A	30.8	Very low	30.6	Very low	86 Å²	86	132.6 Å²	132.6	71%	0.711	79%	0.791	S	S	*	*	S	Bend	trans	-130.9	-33.7	-161	0	0	0	0	0	120.2	T664	T664-A666 PolarHBondContact O-N 3.37Å; T664-A666 VanDerWaalsContact O-N 3.09Å
667	L	31.9	Very low	30.1	Very low	173 Å²	173	129 Å²	129	91%	0.906	78%	0.784	S	S	*	*	S	Bend	trans	-133.7	52.5	-166.6	-75.2	176.4	0	0	0	114.8
668	A	26.8	Very low	30.3	Very low	105 Å²	105	127.9 Å²	127.9	87%	0.868	79%	0.785	S	S	*	*	S	Bend	trans	-133.7	25.7	176.1	0	0	0	0	0	115.1
669	A	26.4	Very low	30	Very low	94 Å²	94	125.4 Å²	125.4	78%	0.777	79%	0.785	S	S	*	*			trans	-157.8	72	176.5	0	0	0	0	0	116.4
670	T	33.2	Very low	29.7	Very low	140 Å²	140	123.1 Å²	123.1	86%	0.859	78%	0.781	S	S	*	*			trans	-149.7	129	157.3	9.7	0	0	0	0	112.5
671	A	25.3	Very low	29.5	Very low	90 Å²	90	124.3 Å²	124.3	74%	0.744	78%	0.782	S	S	*	*			trans	28.7	104.7	167.6	0	0	0	0	0	118
672	V	23.6	Very low	30	Very low	126 Å²	126	124.8 Å²	124.8	76%	0.764	79%	0.787	S	S	*	*				68.2	105.9	52.4	-169.6	0	0	0	0	114.2
673	T	25.6	Very low	29.7	Very low	108 Å²	108	120.5 Å²	120.5	66%	0.663	78%	0.777	S	S	*	*			trans	70.3	129.5	156.3	56.3	0	0	0	0	122.9
674	Q	26.6	Very low	29.9	Very low	168 Å²	168	123.2 Å²	123.2	79%	0.785	78%	0.784	S	S	*	*			trans	73.7	146.9	145.4	-65.6	170	105	0	0	116.5
675	L	26.6	Very low	29.5	Very low	141 Å²	141	123.9 Å²	123.9	74%	0.738	79%	0.788	S	S	*	*			cis	-135.5	151.1	24	-73	160.3	0	0	0	114.3
676	T	27.3	Very low	29.2	Very low	130 Å²	130	120.2 Å²	120.2	80%	0.798	78%	0.781	S	S	*	*			trans	39.5	129.5	145.9	59.4	0	0	0	0	122.6
677	G	26.9	Very low	29	Very low	71 Å²	71	122.9 Å²	122.9	73%	0.732	79%	0.788	S	S	*	*			trans	-79.6	-152.3	158.9	0	0	0	0	0	113.4
678	P	39.6	Very low	29.1	Very low	126 Å²	126	118 Å²	118	82%	0.818	78%	0.779	S	S	*	*			cis	-131.3	175.9	17	43.2	-28.2	0	0	0	116.3
679	A	28.6	Very low	29.4	Very low	93 Å²	93	117.4 Å²	117.4	77%	0.769	78%	0.775	S	S	*	*			trans	64.3	154.3	172.9	0	0	0	0	0	115.5
680	T	28	Very low	29.8	Very low	138 Å²	138	117.2 Å²	117.2	85%	0.847	77%	0.773	S	S	*	*			cis	-146.8	158.1	12.7	-32.8	0	0	0	0	110
681	L	28.2	Very low	29.8	Very low	157 Å²	157	115.6 Å²	115.6	82%	0.822	76%	0.762	S	S	*	*			trans	-77.8	167.3	157.5	-79	169.8	0	0	0	110.2
682	P	41.3	Very low	30.6	Very low	118 Å²	118	114.6 Å²	114.6	77%	0.766	75%	0.747	S	S	*	*			cis	-127.4	167.1	-0.5	40.8	-27.3	0	0	0	114.5
683	A	27.3	Very low	31.5	Very low	86 Å²	86	112 Å²	112	71%	0.711	74%	0.739	S	S	*	*			trans	176.7	135.1	135.3	0	0	0	0	0	110.3
684	V	31.1	Very low	32.3	Very low	145 Å²	145	112.8 Å²	112.8	88%	0.879	74%	0.739	S	S	*	*			trans	-93.1	122.4	163.6	175	0	0	0	0	107.8
685	V	27.6	Very low	33.2	Very low	117 Å²	117	109.9 Å²	109.9	71%	0.709	73%	0.726	S	S	*	*			trans	-124.6	117.4	169.2	-179.5	0	0	0	0	107.8	V687	V685-V687 PolarHBondContact O-N 3.49Å
686	P	30.3	Very low	34.1	Very low	113 Å²	113	106.5 Å²	106.5	73%	0.734	71%	0.711	S	S	*	*			trans	-78.1	119.1	176.6	30.5	-31.8	0	0	0	110.1	G688	P686-G688 VanDerWaalsContact C-N 3.33Å; P686-G688 PolarHBondContact O-N 3.44Å
687	V	27.6	Very low	35.1	Very low	141 Å²	141	105.2 Å²	105.2	86%	0.855	70%	0.695	S	S	*	*			trans	-79.2	87	169.4	-178.8	0	0	0	0	108.7	V685 A689	V685-V687 PolarHBondContact O-N 3.49Å; V687-A689 PolarHBondContact O-N 3.34Å
688	G	33.6	Very low	36.2	Very low	71 Å²	71	106.4 Å²	106.4	73%	0.732	69%	0.688	S	S	*	*			trans	-75.4	100.4	164.2	0	0	0	0	0	109.9	P686 A690	P686-G688 VanDerWaalsContact C-N 3.33Å; P686-G688 PolarHBondContact O-N 3.44Å; G688-A690 PolarHBondContact O-N 2.98Å; G688-A690 VanDerWaalsContact O-N 3.12Å
689	A	32.9	Very low	36.5	Very low	93 Å²	93	105.2 Å²	105.2	77%	0.769	68%	0.675	S	S	*	*			trans	-75.4	93.8	167.2	0	0	0	0	0	109.1	V687 V691	V687-A689 PolarHBondContact O-N 3.34Å; A689-V691 PolarHBondContact O-N 3.12Å
690	A	34.6	Very low	37.3	Very low	89 Å²	89	106 Å²	106	74%	0.736	66%	0.661	S	S	*	*			trans	-71.6	113.2	168.4	0	0	0	0	0	108.8	G688 T692	G688-A690 PolarHBondContact O-N 2.98Å; G688-A690 VanDerWaalsContact O-N 3.12Å; A690-T692 PolarHBondContact O-N 2.87Å
691	V	32.5	Very low	38.5	Very low	106 Å²	106	102.4 Å²	102.4	64%	0.642	65%	0.645	S	S	*	*			trans	-57.5	128.7	167.9	-177.5	0	0	0	0	107.8	A689 E695 T696	A689-V691 PolarHBondContact O-N 3.12Å; V691-E695 HydrophobicContact CG1-CB 3.97Å; V691-T696 HydrophobicContact CG1-CG2 3.87Å
692	T	42.4	Very low	39.6	Very low	70 Å²	70	101 Å²	101	43%	0.429	63%	0.634	S	S	.	*			trans	-74.3	151.6	-176.4	65.6	0	0	0	0	110.7	A690 D694 E695 T696	A690-T692 PolarHBondContact O-N 2.87Å; T692-D694 PolarHBondContact O-N 2.85Å; T692-E695 WeakPolarHBondContact CB-OE2 3.38Å; T692-E695 PolarHBondContact N-OE2 3.21Å; T692-E695 PolarHBondContact O-N 3.29Å; T692-E695 VanDerWaalsContact OG1-CD 3.29Å; T692-E695 WeakPolarHBondContact OG1-CG 3.5Å; T692-E695 PolarHBondContact OG1-OE2 3.18Å; T692-T696 PolarHBondContact O-N 3.47Å
693	A	43.6	Very low	39.8	Very low	70 Å²	70	99.5 Å²	99.5	58%	0.579	62%	0.619	S	S	*	*	H	α-helix	trans	-58.7	-36	-179.5	0	0	0	0	0	111.8	E695 T696 E697	A693-E695 PolarHBondContact O-N 2.83Å; A693-T696 PolarHBondContact O-N 3.46Å; A693-T696 VanDerWaalsContact O-N 3.16Å; A693-T696 PolarHBondContact O-OG1 2.94Å; A693-E697 PolarHBondContact O-N 2.85Å
694	D	42.4	Very low	41	Very low	126 Å²	126	98.2 Å²	98.2	67%	0.674	61%	0.605	S	S	*	*	H	α-helix	trans	-63.1	-42	179.3	-60	-37.4	0	0	0	112.1	T692 T696 E697 V698	T692-D694 PolarHBondContact O-N 2.85Å; D694-T696 VanDerWaalsContact C-N 3.29Å; D694-T696 PolarHBondContact O-N 3.34Å; D694-E697 PolarHBondContact O-N 3.34Å; D694-V698 WeakPolarHBondContact O-CG2 3.38Å; D694-V698 PolarHBondContact O-N 3.25Å
695	E	44.9	Very low	42.5	Very low	107 Å²	107	98.5 Å²	98.5	50%	0.5	59%	0.594	S	S	.	*	H	α-helix	trans	-61	-38	174.4	-69.8	164.5	121.4	0	0	111.7	V691 T692 A693 L699	V691-E695 HydrophobicContact CG1-CB 3.97Å; T692-E695 WeakPolarHBondContact CB-OE2 3.38Å; T692-E695 PolarHBondContact N-OE2 3.21Å; T692-E695 PolarHBondContact O-N 3.29Å; T692-E695 VanDerWaalsContact OG1-CD 3.29Å; T692-E695 WeakPolarHBondContact OG1-CG 3.5Å; T692-E695 PolarHBondContact OG1-OE2 3.18Å; A693-E695 PolarHBondContact O-N 2.83Å; E695-L699 WeakPolarHBondContact O-CB 3.35Å; E695-L699 PolarHBondContact O-N 3.19Å; E695-L699 VanDerWaalsContact O-N 3.09Å
696	T	44.4	Very low	43.6	Very low	69 Å²	69	95.5 Å²	95.5	42%	0.423	58%	0.582	S	S	.	*	H	α-helix	trans	-71.6	-34.4	177.7	68.1	0	0	0	0	113.3	V691 T692 A693 D694 K700	V691-T696 HydrophobicContact CG1-CG2 3.87Å; T692-T696 PolarHBondContact O-N 3.47Å; A693-T696 PolarHBondContact O-N 3.46Å; A693-T696 VanDerWaalsContact O-N 3.16Å; A693-T696 PolarHBondContact O-OG1 2.94Å; D694-T696 VanDerWaalsContact C-N 3.29Å; D694-T696 PolarHBondContact O-N 3.34Å; T696-K700 WeakPolarHBondContact O-CB 3.44Å; T696-K700 PolarHBondContact O-N 3.01Å; T696-K700 VanDerWaalsContact O-N 3.07Å
697	E	48.9	Very low	44.5	Very low	103 Å²	103	91.9 Å²	91.9	48%	0.481	56%	0.558	S	S	.	*	H	α-helix	trans	-75.8	-33.5	175.7	-72.7	-66.6	134.8	0	0	112.2	A693 D694 K700 A701	A693-E697 PolarHBondContact O-N 2.85Å; D694-E697 PolarHBondContact O-N 3.34Å; E697-K700 PolarHBondContact O-N 3.17Å; E697-K700 WeakPolarHBondContact OE1-CD 3.29Å; E697-K700 IonicContact OE1-NZ 2.65Å; E697-K700 PolarHBondContact OE1-NZ 2.94Å; E697-K700 IonicContact OE2-NZ 2.67Å; E697-K700 PolarHBondContact OE2-NZ 2.89Å; E697-A701 WeakPolarHBondContact O-CB 3.42Å; E697-A701 PolarHBondContact O-N 3.3Å
698	V	51	Low	45.7	Very low	96 Å²	96	91.9 Å²	91.9	58%	0.582	55%	0.546	S	S	*	.	H	α-helix	trans	-60.9	-52.1	170.3	168.5	0	0	0	0	110.6	D694 K700 A701 E702	D694-V698 WeakPolarHBondContact O-CG2 3.38Å; D694-V698 PolarHBondContact O-N 3.25Å; V698-K700 VanDerWaalsContact C-N 3.3Å; V698-K700 PolarHBondContact O-N 3.49Å; V698-A701 WeakPolarHBondContact O-CB 3.49Å; V698-A701 PolarHBondContact O-N 3.04Å; V698-A701 VanDerWaalsContact O-N 3.14Å; V698-E702 PolarHBondContact O-N 3.43Å
699	L	44.4	Very low	46.8	Very low	102 Å²	102	93.4 Å²	93.4	53%	0.534	53%	0.534	S	S	.	.	H	α-helix	trans	-60.6	-40.7	179.7	-168.3	72.7	0	0	0	111.8	E695 E702 I703	E695-L699 WeakPolarHBondContact O-CB 3.35Å; E695-L699 PolarHBondContact O-N 3.19Å; E695-L699 VanDerWaalsContact O-N 3.09Å; L699-E702 PolarHBondContact O-N 2.83Å; L699-I703 HydrophobicContact CG-CD1 4.07Å; L699-I703 WeakPolarHBondContact O-CB 3.15Å; L699-I703 VanDerWaalsContact O-CG1 3.27Å; L699-I703 WeakPolarHBondContact O-CG1 3.26Å; L699-I703 PolarHBondContact O-N 2.87Å
700	K	46.1	Very low	47.7	Very low	109 Å²	109	92.1 Å²	92.1	47%	0.474	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-38	175.1	174	-172	167.8	-153.4	0	112.9	T696 E697 V698 S704	T696-K700 WeakPolarHBondContact O-CB 3.44Å; T696-K700 PolarHBondContact O-N 3.01Å; T696-K700 VanDerWaalsContact O-N 3.07Å; E697-K700 PolarHBondContact O-N 3.17Å; E697-K700 WeakPolarHBondContact OE1-CD 3.29Å; E697-K700 IonicContact OE1-NZ 2.65Å; E697-K700 PolarHBondContact OE1-NZ 2.94Å; E697-K700 IonicContact OE2-NZ 2.67Å; E697-K700 PolarHBondContact OE2-NZ 2.89Å; V698-K700 VanDerWaalsContact C-N 3.3Å; V698-K700 PolarHBondContact O-N 3.49Å; K700-S704 VanDerWaalsContact O-CB 3.25Å; K700-S704 WeakPolarHBondContact O-CB 3.24Å; K700-S704 PolarHBondContact O-N 3.02Å; K700-S704 PolarHBondContact O-OG 2.66Å
701	A	53.7	Low	48.3	Very low	62 Å²	62	91.7 Å²	91.7	51%	0.512	50%	0.499	S	S	.	.	H	α-helix	trans	-68.1	-39.7	174.4	0	0	0	0	0	111.7	E697 V698 S704 K705	E697-A701 WeakPolarHBondContact O-CB 3.42Å; E697-A701 PolarHBondContact O-N 3.3Å; V698-A701 WeakPolarHBondContact O-CB 3.49Å; V698-A701 PolarHBondContact O-N 3.04Å; V698-A701 VanDerWaalsContact O-N 3.14Å; A701-S704 PolarHBondContact O-N 3.4Å; A701-K705 WeakPolarHBondContact O-CB 3.35Å; A701-K705 PolarHBondContact O-N 2.88Å
702	E	51	Low	49.2	Very low	129 Å²	129	94.3 Å²	94.3	60%	0.603	51%	0.505	S	S	*	.	H	α-helix	trans	-67.9	-45.4	178.3	-166.8	155.9	-125.3	0	0	112	V698 L699 S704 K705 A706	V698-E702 PolarHBondContact O-N 3.43Å; L699-E702 PolarHBondContact O-N 2.83Å; E702-S704 VanDerWaalsContact C-N 3.33Å; E702-S704 PolarHBondContact O-N 3.45Å; E702-K705 WeakPolarHBondContact O-CB 3.46Å; E702-K705 PolarHBondContact O-N 3.34Å; E702-K705 VanDerWaalsContact O-N 3.16Å; E702-A706 PolarHBondContact O-N 2.85Å
703	I	45.5	Very low	49.5	Very low	85 Å²	85	97.8 Å²	97.8	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-59.4	-43.7	171.2	-68.3	164.9	0	0	0	110.8	L699 K705 A706 V707	L699-I703 HydrophobicContact CG-CD1 4.07Å; L699-I703 WeakPolarHBondContact O-CB 3.15Å; L699-I703 VanDerWaalsContact O-CG1 3.27Å; L699-I703 WeakPolarHBondContact O-CG1 3.26Å; L699-I703 PolarHBondContact O-N 2.87Å; I703-K705 VanDerWaalsContact C-N 3.26Å; I703-K705 PolarHBondContact O-N 3.28Å; I703-A706 PolarHBondContact O-N 2.65Å; I703-V707 HydrophobicContact CG2-CG2 4.36Å; I703-V707 WeakPolarHBondContact O-CB 3.29Å; I703-V707 WeakPolarHBondContact O-CG2 3.47Å; I703-V707 PolarHBondContact O-N 2.97Å
704	S	51.4	Low	49.3	Very low	60 Å²	60	98 Å²	98	42%	0.42	51%	0.507	S	S	.	.	H	α-helix	trans	-65.3	-28.8	178.5	-61	0	0	0	0	113	K700 A701 E702 K708	K700-S704 VanDerWaalsContact O-CB 3.25Å; K700-S704 WeakPolarHBondContact O-CB 3.24Å; K700-S704 PolarHBondContact O-N 3.02Å; K700-S704 PolarHBondContact O-OG 2.66Å; A701-S704 PolarHBondContact O-N 3.4Å; E702-S704 VanDerWaalsContact C-N 3.33Å; E702-S704 PolarHBondContact O-N 3.45Å; S704-K708 WeakPolarHBondContact O-CG 3.2Å; S704-K708 PolarHBondContact O-N 2.99Å
705	K	63.7	Low	49.5	Very low	150 Å²	150	97.2 Å²	97.2	65%	0.652	51%	0.509	S	S	*	.	H	α-helix	trans	-74	-46.6	174.2	-175	-174.5	174.1	-167.7	0	111	A701 E702 I703 V707 K708 Q709	A701-K705 WeakPolarHBondContact O-CB 3.35Å; A701-K705 PolarHBondContact O-N 2.88Å; E702-K705 WeakPolarHBondContact O-CB 3.46Å; E702-K705 PolarHBondContact O-N 3.34Å; E702-K705 VanDerWaalsContact O-N 3.16Å; I703-K705 VanDerWaalsContact C-N 3.26Å; I703-K705 PolarHBondContact O-N 3.28Å; K705-V707 PolarHBondContact O-N 3.49Å; K705-K708 PolarHBondContact O-N 3.34Å; K705-Q709 PolarHBondContact O-N 3.02Å
706	A	49.8	Very low	49.4	Very low	54 Å²	54	98.4 Å²	98.4	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-44.5	176.5	0	0	0	0	0	112.1	E702 I703 K708 Q709 V710	E702-A706 PolarHBondContact O-N 2.85Å; I703-A706 PolarHBondContact O-N 2.65Å; A706-K708 PolarHBondContact O-N 3.28Å; A706-Q709 PolarHBondContact O-N 3.07Å; A706-V710 WeakPolarHBondContact O-CG2 3.41Å; A706-V710 PolarHBondContact O-N 3Å
707	V	50.2	Low	49.6	Very low	38 Å²	38	97.2 Å²	97.2	23%	0.23	51%	0.512	C	S	.	.	H	α-helix	trans	-59.8	-44	176.2	166.9	0	0	0	0	111.7	I703 K705 Q711 I719	I703-V707 HydrophobicContact CG2-CG2 4.36Å; I703-V707 WeakPolarHBondContact O-CB 3.29Å; I703-V707 WeakPolarHBondContact O-CG2 3.47Å; I703-V707 PolarHBondContact O-N 2.97Å; K705-V707 PolarHBondContact O-N 3.49Å; V707-Q711 WeakPolarHBondContact O-CB 3.48Å; V707-Q711 PolarHBondContact O-N 3.17Å; V707-I719 HydrophobicContact CB-CD1 4.49Å; V707-I719 HydrophobicContact CG1-CD1 4.24Å; V707-I719 HydrophobicContact CG2-CD1 4.13Å
708	K	53.7	Low	49.5	Very low	141 Å²	141	99.4 Å²	99.4	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-63.8	-42.5	176.5	-78	178.7	177.1	-174.6	0	112.5	S704 K705 A706 V710 Q711 E712	S704-K708 WeakPolarHBondContact O-CG 3.2Å; S704-K708 PolarHBondContact O-N 2.99Å; K705-K708 PolarHBondContact O-N 3.34Å; A706-K708 PolarHBondContact O-N 3.28Å; K708-V710 PolarHBondContact O-N 3.48Å; K708-Q711 CarbonylContact O-C 3.56Å; K708-Q711 PolarHBondContact O-N 3.41Å; K708-Q711 VanDerWaalsContact O-N 3.13Å; K708-E712 WeakPolarHBondContact O-CB 3.5Å; K708-E712 WeakPolarHBondContact O-CG 3.46Å; K708-E712 PolarHBondContact O-N 3.43Å
709	Q	55.5	Low	49.5	Very low	103 Å²	103	97.7 Å²	97.7	48%	0.481	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-43.7	180	-169.7	171	-16.9	0	0	111.6	K705 A706 Q711 E712 E713	K705-Q709 PolarHBondContact O-N 3.02Å; A706-Q709 PolarHBondContact O-N 3.07Å; Q709-Q711 VanDerWaalsContact C-N 3.33Å; Q709-Q711 PolarHBondContact O-N 3.43Å; Q709-E712 PolarHBondContact O-N 2.99Å; Q709-E713 WeakPolarHBondContact CG-OE1 3.12Å; Q709-E713 PolarHBondContact NE2-OE1 3.16Å; Q709-E713 WeakPolarHBondContact O-CG 3.06Å; Q709-E713 PolarHBondContact O-N 2.88Å; Q709-E713 VanDerWaalsContact O-N 3.08Å
710	V	53	Low	49.6	Very low	66 Å²	66	97.2 Å²	97.2	40%	0.4	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-39	172.7	174	0	0	0	0	112	A706 K708 E712 E713 D714 I719	A706-V710 WeakPolarHBondContact O-CG2 3.41Å; A706-V710 PolarHBondContact O-N 3Å; K708-V710 PolarHBondContact O-N 3.48Å; V710-E712 VanDerWaalsContact C-N 3.35Å; V710-E713 PolarHBondContact O-N 3.01Å; V710-D714 PolarHBondContact O-N 2.85Å; V710-I719 HydrophobicContact CG1-CD1 4.29Å
711	Q	46.3	Very low	50.2	Low	80 Å²	80	94.8 Å²	94.8	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-73.9	-24.2	-179.9	-150.4	77.9	85.9	0	0	113.7	V707 K708 Q709 T717	V707-Q711 WeakPolarHBondContact O-CB 3.48Å; V707-Q711 PolarHBondContact O-N 3.17Å; K708-Q711 CarbonylContact O-C 3.56Å; K708-Q711 PolarHBondContact O-N 3.41Å; K708-Q711 VanDerWaalsContact O-N 3.13Å; Q709-Q711 VanDerWaalsContact C-N 3.33Å; Q709-Q711 PolarHBondContact O-N 3.43Å; Q711-T717 PolarHBondContact NE2-O 2.98Å; Q711-T717 PolarHBondContact NE2-OG1 3.38Å
712	E	50.9	Low	50.4	Low	161 Å²	161	94 Å²	94	75%	0.752	49%	0.488	S	S	*	.	H	α-helix	trans	-81	-24.2	172.3	-74.3	171.1	-167.7	0	0	111.9	K708 Q709 V710	K708-E712 WeakPolarHBondContact O-CB 3.5Å; K708-E712 WeakPolarHBondContact O-CG 3.46Å; K708-E712 PolarHBondContact O-N 3.43Å; Q709-E712 PolarHBondContact O-N 2.99Å; V710-E712 VanDerWaalsContact C-N 3.35Å
713	E	48.5	Very low	50.9	Low	142 Å²	142	88 Å²	88	66%	0.664	46%	0.46	S	S	*	.	H	α-helix	trans	-86	-36.2	177.8	-72.8	170.8	-167.1	0	0	113.4	Q709 V710	Q709-E713 WeakPolarHBondContact CG-OE1 3.12Å; Q709-E713 PolarHBondContact NE2-OE1 3.16Å; Q709-E713 WeakPolarHBondContact O-CG 3.06Å; Q709-E713 PolarHBondContact O-N 2.88Å; Q709-E713 VanDerWaalsContact O-N 3.08Å; V710-E713 PolarHBondContact O-N 3.01Å
714	D	39.3	Very low	51.2	Low	74 Å²	74	91.9 Å²	91.9	40%	0.396	48%	0.482	S	S	.	.			trans	-142.3	111.4	163.9	179.4	1.2	0	0	0	112.3	V710 N716 T717	V710-D714 PolarHBondContact O-N 2.85Å; D714-N716 PolarHBondContact O-N 3.27Å; D714-N716 VanDerWaalsContact O-N 3.14Å; D714-N716 WeakPolarHBondContact OD1-CB 3.31Å; D714-N716 PolarHBondContact OD1-N 2.84Å; D714-T717 HydrophobicContact CB-CG2 3.85Å; D714-T717 PolarHBondContact O-N 3.3Å; D714-T717 PolarHBondContact O-OG1 3.45Å
715	P	46.6	Very low	51.3	Low	110 Å²	110	93.2 Å²	93.2	71%	0.714	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-6.9	-177.8	30.8	-37.1	0	0	0	114.6
716	N	43.9	Very low	51.2	Low	133 Å²	133	88.7 Å²	88.7	71%	0.711	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.6	179.6	-139.8	9.3	0	0	0	113	D714 H718	D714-N716 PolarHBondContact O-N 3.27Å; D714-N716 VanDerWaalsContact O-N 3.14Å; D714-N716 WeakPolarHBondContact OD1-CB 3.31Å; D714-N716 PolarHBondContact OD1-N 2.84Å; N716-H718 PolarHBondContact O-N 3.2Å; N716-H718 PolarHBondContact O-ND1 3.09Å
717	T	48.3	Very low	51.7	Low	44 Å²	44	88.6 Å²	88.6	27%	0.27	48%	0.482	S	S	.	.			trans	-68.6	126.3	-179.3	55.8	0	0	0	0	112.4	Q711 D714	Q711-T717 PolarHBondContact NE2-O 2.98Å; Q711-T717 PolarHBondContact NE2-OG1 3.38Å; D714-T717 HydrophobicContact CB-CG2 3.85Å; D714-T717 PolarHBondContact O-N 3.3Å; D714-T717 PolarHBondContact O-OG1 3.45Å
718	H	47.5	Very low	51.9	Low	148 Å²	148	90.8 Å²	90.8	69%	0.685	49%	0.492	S	S	*	.			trans	-109	104.1	175.7	-81.8	60	0	0	0	110.5	N716 L720	N716-H718 PolarHBondContact O-N 3.2Å; N716-H718 PolarHBondContact O-ND1 3.09Å; H718-L720 PolarHBondContact O-N 2.83Å
719	I	49.8	Very low	52.4	Low	61 Å²	61	91 Å²	91	31%	0.313	49%	0.493	S	S	.	.			trans	-72.3	123.6	176.3	-59.1	177.2	0	0	0	109.3	V707 V710 Y721	V707-I719 HydrophobicContact CB-CD1 4.49Å; V707-I719 HydrophobicContact CG1-CD1 4.24Å; V707-I719 HydrophobicContact CG2-CD1 4.13Å; V710-I719 HydrophobicContact CG1-CD1 4.29Å; I719-Y721 HydrophobicContact CG2-CE2 4.34Å
720	L	47.4	Very low	52.7	Low	92 Å²	92	88 Å²	88	48%	0.482	48%	0.478	S	S	.	.			trans	-109.7	108.6	178.2	-74.4	170.6	0	0	0	110.6	H718 K729 L731	H718-L720 PolarHBondContact O-N 2.83Å; L720-K729 HydrophobicContact CB-CD 4.49Å; L720-K729 HydrophobicContact CD1-CD 4.37Å; L720-L731 HydrophobicContact CD2-CD2 3.71Å; L720-L731 HydrophobicContact CD2-CG 4.34Å
721	Y	59.5	Low	52.9	Low	57 Å²	57	90.9 Å²	90.9	22%	0.224	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.2	172.8	-61	-87.3	0	0	0	110	I719 K729 F730 A733	I719-Y721 HydrophobicContact CG2-CE2 4.34Å; Y721-K729 CarbonylContact O-C 3.58Å; Y721-K729 VanDerWaalsContact O-CA 3.28Å; Y721-K729 WeakPolarHBondContact O-CA 3.26Å; Y721-F730 PolarHBondContact N-O 2.73Å; Y721-F730 PolarHBondContact O-N 3.36Å; Y721-A733 HydrophobicContact CD1-CB 4.39Å; Y721-A733 HydrophobicContact CE1-CB 4.05Å; Y721-A733 HydrophobicContact CE2-CB 4.48Å
722	A	56	Low	53.7	Low	46 Å²	46	90 Å²	90	38%	0.38	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.5	179.1	0	0	0	0	0	111.5	D728 L736	A722-D728 WeakPolarHBondContact CA-O 3.47Å; A722-L736 WeakPolarHBondContact O-CD2 3.45Å
723	C	62.7	Low	53.9	Low	4 Å²	4	84.7 Å²	84.7	3%	0.027	47%	0.473	C	S	.	.			trans	-100.9	113.2	172.9	-177.8	0	0	0	0	111.1	S725 C726 G727 D728 F730 L736	C723-S725 PolarHBondContact O-N 3.46Å; C723-S725 VanDerWaalsContact O-N 3.08Å; C723-C726 VanDerWaalsContact CB-SG 3.57Å; C723-C726 PolarHBondContact O-N 3.41Å; C723-C726 VanDerWaalsContact O-N 3.13Å; C723-G727 WeakPolarHBondContact O-CA 3.39Å; C723-G727 PolarHBondContact O-N 3.2Å; C723-D728 PolarHBondContact N-O 3.47Å; C723-F730 HydrophobicContact CB-CE2 4.24Å; C723-L736 HydrophobicContact CB-CD1 3.53Å
724	D	51.9	Low	54.5	Low	166 Å²	166	84 Å²	84	89%	0.888	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22	-176.3	-54.3	-40	0	0	0	114
725	S	54.2	Low	55.6	Low	88 Å²	88	82.6 Å²	82.6	62%	0.615	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.5	179.3	-63.5	0	0	0	0	114.6	C723	C723-S725 PolarHBondContact O-N 3.46Å; C723-S725 VanDerWaalsContact O-N 3.08Å
726	C	61.6	Low	56.5	Low	55 Å²	55	78.9 Å²	78.9	37%	0.372	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	-20.4	-172.8	66.6	0	0	0	0	115.3	C723 D728 H739	C723-C726 VanDerWaalsContact CB-SG 3.57Å; C723-C726 PolarHBondContact O-N 3.41Å; C723-C726 VanDerWaalsContact O-N 3.13Å; C726-D728 PolarHBondContact SG-N 2.96Å; C726-D728 VanDerWaalsContact SG-N 3.38Å; C726-H739 PolarHBondContact SG-NE2 2.83Å
727	G	58.7	Low	56.9	Low	51 Å²	51	74 Å²	74	53%	0.526	42%	0.422	S	S	.	.			trans	84.1	1.9	-176.2	0	0	0	0	0	115.7	C723	C723-G727 WeakPolarHBondContact O-CA 3.39Å; C723-G727 PolarHBondContact O-N 3.2Å
728	D	54.5	Low	57.6	Low	85 Å²	85	77.5 Å²	77.5	46%	0.455	44%	0.435	S	S	.	.			trans	-64.8	144.4	176.5	-77.2	-26.5	0	0	0	111.3	A722 C723 C726 F730 H739	A722-D728 WeakPolarHBondContact CA-O 3.47Å; C723-D728 PolarHBondContact N-O 3.47Å; C726-D728 PolarHBondContact SG-N 2.96Å; C726-D728 VanDerWaalsContact SG-N 3.38Å; D728-F730 HydrophobicContact CB-CE2 3.7Å; D728-F730 HydrophobicContact CB-CZ 3.66Å; D728-F730 WeakPolarHBondContact O-CE2 3.47Å; D728-H739 IonicContact OD2-CE1 3.35Å; D728-H739 PolarHBondContact OD2-CE1 2.92Å; D728-H739 VanDerWaalsContact OD2-CE1 3.24Å
729	K	64.2	Low	58.5	Low	146 Å²	146	72.1 Å²	72.1	64%	0.635	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	140.8	-177.5	-59.8	-165.1	180	-161.3	0	112.4	L720 Y721	L720-K729 HydrophobicContact CB-CD 4.49Å; L720-K729 HydrophobicContact CD1-CD 4.37Å; Y721-K729 CarbonylContact O-C 3.58Å; Y721-K729 VanDerWaalsContact O-CA 3.28Å; Y721-K729 WeakPolarHBondContact O-CA 3.26Å
730	F	63.3	Low	59.1	Low	38 Å²	38	71.9 Å²	71.9	17%	0.167	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.1	-175	-55.8	-83.5	0	0	0	110.5	Y721 C723 D728 D732 L736 H739	Y721-F730 PolarHBondContact N-O 2.73Å; Y721-F730 PolarHBondContact O-N 3.36Å; C723-F730 HydrophobicContact CB-CE2 4.24Å; D728-F730 HydrophobicContact CB-CE2 3.7Å; D728-F730 HydrophobicContact CB-CZ 3.66Å; D728-F730 WeakPolarHBondContact O-CE2 3.47Å; F730-D732 VanDerWaalsContact C-N 3.34Å; F730-L736 HydrophobicContact CB-CB 4.2Å; F730-L736 HydrophobicContact CD2-CB 3.92Å; F730-L736 HydrophobicContact CD2-CD1 3.75Å; F730-L736 HydrophobicContact CD2-CG 4.42Å; F730-L736 HydrophobicContact CE2-CD1 3.96Å; F730-L736 HydrophobicContact CG-CB 4.16Å; F730-H739 HydrophobicContact CE1-CB 3.96Å; F730-H739 HydrophobicContact CE2-CB 4.08Å; F730-H739 AromaticContact CE2-CG 3.92Å; F730-H739 HydrophobicContact CZ-CB 3.57Å; F730-H739 AromaticContact CZ-CG 3.39Å; F730-H739 AromaticContact CZ-ND1 3.41Å; F730-H739 WeakPolarHBondContact CZ-ND1 3.03Å
731	L	56.2	Low	60	Low	127 Å²	127	74.6 Å²	74.6	67%	0.665	42%	0.415	S	S	*	.	S	Bend	trans	-82.8	-14.3	178.6	-69.7	162	0	0	0	112.6	L720	L720-L731 HydrophobicContact CD2-CD2 3.71Å; L720-L731 HydrophobicContact CD2-CG 4.34Å
732	D	63.5	Low	60.2	Low	63 Å²	63	75.9 Å²	75.9	34%	0.337	43%	0.425	S	S	.	.	S	Bend	trans	-143.6	149.8	-177.9	74.5	-75.4	0	0	0	112	F730 N734 S735 L736	F730-D732 VanDerWaalsContact C-N 3.34Å; D732-N734 VanDerWaalsContact C-N 3.28Å; D732-N734 PolarHBondContact O-N 3.03Å; D732-N734 WeakPolarHBondContact OD2-CA 3.27Å; D732-N734 VanDerWaalsContact OD2-CB 3.27Å; D732-N734 WeakPolarHBondContact OD2-CB 3.39Å; D732-N734 PolarHBondContact OD2-N 2.83Å; D732-S735 VanDerWaalsContact CG-OG 3.29Å; D732-S735 PolarHBondContact O-N 2.86Å; D732-S735 WeakPolarHBondContact OD1-CB 3.23Å; D732-S735 PolarHBondContact OD1-OG 2.87Å; D732-S735 PolarHBondContact OD2-N 2.96Å; D732-S735 PolarHBondContact OD2-OG 3.05Å; D732-L736 PolarHBondContact O-N 3.29Å
733	A	55.3	Low	60.6	Low	49 Å²	49	76.7 Å²	76.7	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-66.9	-24.7	-178.9	0	0	0	0	0	113.5	Y721 A737	Y721-A733 HydrophobicContact CD1-CB 4.39Å; Y721-A733 HydrophobicContact CE1-CB 4.05Å; Y721-A733 HydrophobicContact CE2-CB 4.48Å; A733-A737 WeakPolarHBondContact O-CB 3.33Å; A733-A737 PolarHBondContact O-N 3.16Å
734	N	61	Low	60.5	Low	126 Å²	126	79.9 Å²	79.9	67%	0.674	44%	0.44	S	S	*	.	H	α-helix	trans	-72.7	-41.6	178.1	-88.3	-11.9	0	0	0	111.2	D732 A737 Q738	D732-N734 VanDerWaalsContact C-N 3.28Å; D732-N734 PolarHBondContact O-N 3.03Å; D732-N734 WeakPolarHBondContact OD2-CA 3.27Å; D732-N734 VanDerWaalsContact OD2-CB 3.27Å; D732-N734 WeakPolarHBondContact OD2-CB 3.39Å; D732-N734 PolarHBondContact OD2-N 2.83Å; N734-A737 PolarHBondContact O-N 3.01Å; N734-Q738 WeakPolarHBondContact O-CB 3.36Å; N734-Q738 PolarHBondContact O-N 3.26Å
735	S	62.4	Low	60.7	Low	46 Å²	46	74.3 Å²	74.3	32%	0.322	42%	0.418	S	S	.	.	H	α-helix	trans	-63.7	-42.6	172.6	-61.8	0	0	0	0	111.7	D732 Q738 H739	D732-S735 VanDerWaalsContact CG-OG 3.29Å; D732-S735 PolarHBondContact O-N 2.86Å; D732-S735 WeakPolarHBondContact OD1-CB 3.23Å; D732-S735 PolarHBondContact OD1-OG 2.87Å; D732-S735 PolarHBondContact OD2-N 2.96Å; D732-S735 PolarHBondContact OD2-OG 3.05Å; S735-Q738 PolarHBondContact O-N 2.91Å; S735-H739 WeakPolarHBondContact O-CB 3.34Å; S735-H739 PolarHBondContact O-N 3.2Å
736	L	63.8	Low	60.6	Low	31 Å²	31	75.9 Å²	75.9	16%	0.162	42%	0.415	C	S	.	.	H	α-helix	trans	-60.6	-49.9	172.3	173.8	60.9	0	0	0	110.6	A722 C723 F730 D732 Q738 H739 V740	A722-L736 WeakPolarHBondContact O-CD2 3.45Å; C723-L736 HydrophobicContact CB-CD1 3.53Å; F730-L736 HydrophobicContact CB-CB 4.2Å; F730-L736 HydrophobicContact CD2-CB 3.92Å; F730-L736 HydrophobicContact CD2-CD1 3.75Å; F730-L736 HydrophobicContact CD2-CG 4.42Å; F730-L736 HydrophobicContact CE2-CD1 3.96Å; F730-L736 HydrophobicContact CG-CB 4.16Å; D732-L736 PolarHBondContact O-N 3.29Å; L736-Q738 VanDerWaalsContact C-N 3.28Å; L736-Q738 PolarHBondContact O-N 2.91Å; L736-H739 WeakPolarHBondContact O-CB 3.44Å; L736-H739 PolarHBondContact O-N 2.87Å; L736-H739 VanDerWaalsContact O-N 3.13Å; L736-V740 HydrophobicContact CD1-CG2 3.76Å; L736-V740 HydrophobicContact CG-CG2 4.23Å; L736-V740 WeakPolarHBondContact O-CG2 3.38Å; L736-V740 PolarHBondContact O-N 3.21Å
737	A	53.8	Low	60	Low	32 Å²	32	74.9 Å²	74.9	26%	0.264	41%	0.411	S	S	.	.	H	α-helix	trans	-63.2	-33.6	-179.2	0	0	0	0	0	112.4	A733 N734 R741	A733-A737 WeakPolarHBondContact O-CB 3.33Å; A733-A737 PolarHBondContact O-N 3.16Å; N734-A737 PolarHBondContact O-N 3.01Å; A737-R741 WeakPolarHBondContact O-CB 3.48Å; A737-R741 VanDerWaalsContact O-CG 3.26Å; A737-R741 WeakPolarHBondContact O-CG 3.35Å; A737-R741 PolarHBondContact O-N 3.37Å; A737-R741 PolarHBondContact O-NE 2.9Å
738	Q	62.9	Low	59.4	Low	116 Å²	116	77.3 Å²	77.3	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-69.8	-42.5	172.5	-176.3	170	-7.3	0	0	111.8	N734 S735 L736 R741 I742	N734-Q738 WeakPolarHBondContact O-CB 3.36Å; N734-Q738 PolarHBondContact O-N 3.26Å; S735-Q738 PolarHBondContact O-N 2.91Å; L736-Q738 VanDerWaalsContact C-N 3.28Å; L736-Q738 PolarHBondContact O-N 2.91Å; Q738-R741 PolarHBondContact O-N 3.33Å; Q738-I742 HydrophobicContact CG-CD1 4.15Å; Q738-I742 WeakPolarHBondContact O-CD1 3.3Å; Q738-I742 VanDerWaalsContact O-CG1 3.29Å; Q738-I742 WeakPolarHBondContact O-CG1 3.28Å; Q738-I742 PolarHBondContact O-N 3.48Å
739	H	65.4	Low	59.2	Low	36 Å²	36	77.6 Å²	77.6	17%	0.167	42%	0.416	C	S	.	.	H	α-helix	trans	-61.1	-48.4	174.2	176.9	98.4	0	0	0	111.4	C726 D728 F730 S735 L736 R741 I742 H743	C726-H739 PolarHBondContact SG-NE2 2.83Å; D728-H739 IonicContact OD2-CE1 3.35Å; D728-H739 PolarHBondContact OD2-CE1 2.92Å; D728-H739 VanDerWaalsContact OD2-CE1 3.24Å; F730-H739 HydrophobicContact CE1-CB 3.96Å; F730-H739 HydrophobicContact CE2-CB 4.08Å; F730-H739 AromaticContact CE2-CG 3.92Å; F730-H739 HydrophobicContact CZ-CB 3.57Å; F730-H739 AromaticContact CZ-CG 3.39Å; F730-H739 AromaticContact CZ-ND1 3.41Å; F730-H739 WeakPolarHBondContact CZ-ND1 3.03Å; S735-H739 WeakPolarHBondContact O-CB 3.34Å; S735-H739 PolarHBondContact O-N 3.2Å; L736-H739 WeakPolarHBondContact O-CB 3.44Å; L736-H739 PolarHBondContact O-N 2.87Å; L736-H739 VanDerWaalsContact O-N 3.13Å; H739-R741 PolarHBondContact O-N 3.18Å; H739-I742 WeakPolarHBondContact O-CB 3.45Å; H739-I742 PolarHBondContact O-N 3.25Å; H739-I742 VanDerWaalsContact O-N 3.1Å; H739-H743 AromaticContact NE2-CD2 3.58Å; H739-H743 PolarHBondContact O-N 3.48Å
740	V	63.8	Low	58.3	Low	56 Å²	56	76.4 Å²	76.4	34%	0.339	42%	0.415	S	S	.	.	H	α-helix	trans	-58.7	-47.6	176	171.6	0	0	0	0	110.3	L736 I742 H743 T744	L736-V740 HydrophobicContact CD1-CG2 3.76Å; L736-V740 HydrophobicContact CG-CG2 4.23Å; L736-V740 WeakPolarHBondContact O-CG2 3.38Å; L736-V740 PolarHBondContact O-N 3.21Å; V740-I742 VanDerWaalsContact C-N 3.26Å; V740-I742 PolarHBondContact O-N 3.44Å; V740-H743 CarbonylContact O-C 3.59Å; V740-H743 WeakPolarHBondContact O-CA 3.48Å; V740-H743 WeakPolarHBondContact O-CB 3.11Å; V740-H743 PolarHBondContact O-N 2.68Å; V740-T744 PolarHBondContact O-N 2.92Å; V740-T744 PolarHBondContact O-OG1 3.37Å
741	R	65.3	Low	57.1	Low	148 Å²	148	81.5 Å²	81.5	56%	0.558	44%	0.437	S	S	*	.	H	α-helix	trans	-56.4	-38.1	174.6	-77.9	-176.5	-62.4	-97.6	2	112.9	A737 Q738 H739 A745	A737-R741 WeakPolarHBondContact O-CB 3.48Å; A737-R741 VanDerWaalsContact O-CG 3.26Å; A737-R741 WeakPolarHBondContact O-CG 3.35Å; A737-R741 PolarHBondContact O-N 3.37Å; A737-R741 PolarHBondContact O-NE 2.9Å; Q738-R741 PolarHBondContact O-N 3.33Å; H739-R741 PolarHBondContact O-N 3.18Å; R741-A745 WeakPolarHBondContact O-CB 3.32Å; R741-A745 PolarHBondContact O-N 2.96Å
742	I	64.1	Low	56.1	Low	84 Å²	84	82.2 Å²	82.2	43%	0.431	44%	0.437	S	S	.	.	H	α-helix	trans	-67.6	-42.2	174.4	-68.5	162.9	0	0	0	110.8	Q738 H739 V740 A745 Q746	Q738-I742 HydrophobicContact CG-CD1 4.15Å; Q738-I742 WeakPolarHBondContact O-CD1 3.3Å; Q738-I742 VanDerWaalsContact O-CG1 3.29Å; Q738-I742 WeakPolarHBondContact O-CG1 3.28Å; Q738-I742 PolarHBondContact O-N 3.48Å; H739-I742 WeakPolarHBondContact O-CB 3.45Å; H739-I742 PolarHBondContact O-N 3.25Å; H739-I742 VanDerWaalsContact O-N 3.1Å; V740-I742 VanDerWaalsContact C-N 3.26Å; V740-I742 PolarHBondContact O-N 3.44Å; I742-A745 PolarHBondContact O-N 3.37Å; I742-Q746 WeakPolarHBondContact O-CB 3.22Å; I742-Q746 VanDerWaalsContact O-CG 3.28Å; I742-Q746 WeakPolarHBondContact O-CG 3.37Å; I742-Q746 PolarHBondContact O-N 3.33Å
743	H	64.3	Low	54.8	Low	63 Å²	63	83.9 Å²	83.9	29%	0.292	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-44	177.9	-134.6	-84.3	0	0	0	111.7	H739 V740 Q746 A747	H739-H743 AromaticContact NE2-CD2 3.58Å; H739-H743 PolarHBondContact O-N 3.48Å; V740-H743 CarbonylContact O-C 3.59Å; V740-H743 WeakPolarHBondContact O-CA 3.48Å; V740-H743 WeakPolarHBondContact O-CB 3.11Å; V740-H743 PolarHBondContact O-N 2.68Å; H743-Q746 PolarHBondContact O-N 2.99Å; H743-A747 WeakPolarHBondContact O-CB 3.45Å; H743-A747 PolarHBondContact O-N 3.16Å
744	T	60.3	Low	54	Low	71 Å²	71	86.5 Å²	86.5	44%	0.436	46%	0.456	S	S	.	.	H	α-helix	trans	-66.8	-40.7	174.9	-46.1	0	0	0	0	111.5	V740 A747 L748	V740-T744 PolarHBondContact O-N 2.92Å; V740-T744 PolarHBondContact O-OG1 3.37Å; T744-A747 PolarHBondContact O-N 3Å; T744-L748 HydrophobicContact CG2-CD1 4.08Å; T744-L748 HydrophobicContact CG2-CG 4.4Å; T744-L748 WeakPolarHBondContact O-CB 3.39Å; T744-L748 VanDerWaalsContact O-CG 3.29Å; T744-L748 WeakPolarHBondContact O-CG 3.46Å; T744-L748 PolarHBondContact O-N 3.47Å
745	A	56.2	Low	52.8	Low	50 Å²	50	83.2 Å²	83.2	41%	0.413	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-40.8	174.7	0	0	0	0	0	111.9	R741 I742 L748 V749	R741-A745 WeakPolarHBondContact O-CB 3.32Å; R741-A745 PolarHBondContact O-N 2.96Å; I742-A745 PolarHBondContact O-N 3.37Å; A745-L748 PolarHBondContact O-N 3.43Å; A745-V749 WeakPolarHBondContact O-CB 3.31Å; A745-V749 VanDerWaalsContact O-CG2 3.3Å; A745-V749 WeakPolarHBondContact O-CG2 3.4Å; A745-V749 PolarHBondContact O-N 2.9Å
746	Q	52.2	Low	51.6	Low	120 Å²	120	88.1 Å²	88.1	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-64.1	-40.7	173.7	-73.7	175	13	0	0	111.9	I742 H743 M750	I742-Q746 WeakPolarHBondContact O-CB 3.22Å; I742-Q746 VanDerWaalsContact O-CG 3.28Å; I742-Q746 WeakPolarHBondContact O-CG 3.37Å; I742-Q746 PolarHBondContact O-N 3.33Å; H743-Q746 PolarHBondContact O-N 2.99Å; Q746-M750 WeakPolarHBondContact O-CG 3.49Å; Q746-M750 PolarHBondContact O-N 3.28Å
747	A	49.8	Very low	50.2	Low	35 Å²	35	95 Å²	95	29%	0.289	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-46.6	174.5	0	0	0	0	0	112.3	H743 T744 V749 M750 F751	H743-A747 WeakPolarHBondContact O-CB 3.45Å; H743-A747 PolarHBondContact O-N 3.16Å; T744-A747 PolarHBondContact O-N 3Å; A747-V749 VanDerWaalsContact C-N 3.32Å; A747-V749 PolarHBondContact O-N 2.99Å; A747-M750 PolarHBondContact O-N 3.21Å; A747-F751 HydrophobicContact CB-CE2 4.49Å; A747-F751 WeakPolarHBondContact O-CD2 3.28Å; A747-F751 PolarHBondContact O-N 2.97Å
748	L	45.5	Very low	49.3	Very low	101 Å²	101	103.3 Å²	103.3	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-37.6	177.9	-73.7	168.9	0	0	0	112.4	T744 A745 M750 F751 Q752	T744-L748 HydrophobicContact CG2-CD1 4.08Å; T744-L748 HydrophobicContact CG2-CG 4.4Å; T744-L748 WeakPolarHBondContact O-CB 3.39Å; T744-L748 VanDerWaalsContact O-CG 3.29Å; T744-L748 WeakPolarHBondContact O-CG 3.46Å; T744-L748 PolarHBondContact O-N 3.47Å; A745-L748 PolarHBondContact O-N 3.43Å; L748-M750 VanDerWaalsContact C-N 3.31Å; L748-M750 PolarHBondContact O-N 3.13Å; L748-F751 PolarHBondContact O-N 3.24Å; L748-Q752 WeakPolarHBondContact O-CB 3.38Å; L748-Q752 WeakPolarHBondContact O-CG 3.48Å; L748-Q752 PolarHBondContact O-N 3.25Å
749	V	50.8	Low	48	Very low	92 Å²	92	106.4 Å²	106.4	56%	0.558	54%	0.539	S	S	*	.	H	α-helix	trans	-65	-33.1	173.2	167.8	0	0	0	0	111.9	A745 A747 T753	A745-V749 WeakPolarHBondContact O-CB 3.31Å; A745-V749 VanDerWaalsContact O-CG2 3.3Å; A745-V749 WeakPolarHBondContact O-CG2 3.4Å; A745-V749 PolarHBondContact O-N 2.9Å; A747-V749 VanDerWaalsContact C-N 3.32Å; A747-V749 PolarHBondContact O-N 2.99Å; V749-T753 PolarHBondContact O-N 3.49Å; V749-T753 PolarHBondContact O-OG1 3.17Å
750	M	44.1	Very low	46.6	Very low	121 Å²	121	112.7 Å²	112.7	60%	0.596	57%	0.569	S	S	*	*	H	α-helix	trans	-71.9	-44.3	172.1	-61.8	-152.5	-52.3	0	0	112	Q746 A747 L748 Q752 T753 D754	Q746-M750 WeakPolarHBondContact O-CG 3.49Å; Q746-M750 PolarHBondContact O-N 3.28Å; A747-M750 PolarHBondContact O-N 3.21Å; L748-M750 VanDerWaalsContact C-N 3.31Å; L748-M750 PolarHBondContact O-N 3.13Å; M750-Q752 VanDerWaalsContact C-N 3.3Å; M750-Q752 PolarHBondContact O-N 3.42Å; M750-T753 PolarHBondContact O-N 2.9Å; M750-T753 PolarHBondContact O-OG1 3.25Å; M750-D754 PolarHBondContact O-N 3.42Å
751	F	37.7	Very low	45	Very low	145 Å²	145	120.7 Å²	120.7	64%	0.636	59%	0.594	S	S	*	*	H	α-helix	trans	-63.3	-33	177.5	-75.6	-63.5	0	0	0	113.3	A747 L748 T753 D754 A755	A747-F751 HydrophobicContact CB-CE2 4.49Å; A747-F751 WeakPolarHBondContact O-CD2 3.28Å; A747-F751 PolarHBondContact O-N 2.97Å; L748-F751 PolarHBondContact O-N 3.24Å; F751-T753 VanDerWaalsContact C-N 3.33Å; F751-D754 PolarHBondContact O-N 3.07Å; F751-A755 PolarHBondContact O-N 2.74Å
752	Q	36.7	Very low	43.2	Very low	141 Å²	141	116.9 Å²	116.9	66%	0.659	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-33.4	172.1	-77.3	-179	-20.6	0	0	112.5	L748 M750	L748-Q752 WeakPolarHBondContact O-CB 3.38Å; L748-Q752 WeakPolarHBondContact O-CG 3.48Å; L748-Q752 PolarHBondContact O-N 3.25Å; M750-Q752 VanDerWaalsContact C-N 3.3Å; M750-Q752 PolarHBondContact O-N 3.42Å
753	T	36.2	Very low	41.8	Very low	99 Å²	99	119.6 Å²	119.6	61%	0.607	62%	0.624	S	S	*	*	H	α-helix	trans	-75.7	-19.7	175.2	51	0	0	0	0	114.8	V749 M750 F751	V749-T753 PolarHBondContact O-N 3.49Å; V749-T753 PolarHBondContact O-OG1 3.17Å; M750-T753 PolarHBondContact O-N 2.9Å; M750-T753 PolarHBondContact O-OG1 3.25Å; F751-T753 VanDerWaalsContact C-N 3.33Å
754	D	38.4	Very low	40.1	Very low	103 Å²	103	120.6 Å²	120.6	55%	0.551	65%	0.652	S	S	*	*	H	α-helix	trans	-88.2	-19	176.2	-70.6	-34	0	0	0	112.9	M750 F751 F757	M750-D754 PolarHBondContact O-N 3.42Å; F751-D754 PolarHBondContact O-N 3.07Å; D754-F757 PolarHBondContact O-N 3.15Å
755	A	35.8	Very low	38.5	Very low	58 Å²	58	120.5 Å²	120.5	48%	0.479	67%	0.665	S	S	.	*	H	α-helix	trans	-65.9	-44.6	-179.6	0	0	0	0	0	113	F751 F757 Y758	F751-A755 PolarHBondContact O-N 2.74Å; A755-F757 PolarHBondContact O-N 3.13Å; A755-F757 VanDerWaalsContact O-N 3.16Å; A755-Y758 PolarHBondContact O-N 3.17Å
756	D	36.4	Very low	37	Very low	149 Å²	149	124.4 Å²	124.4	80%	0.797	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-17.9	-179.5	-72.4	-25.5	0	0	0	113.2
757	F	35.2	Very low	35.9	Very low	176 Å²	176	129.4 Å²	129.4	77%	0.772	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-23.2	-178.7	-167.7	-105.8	0	0	0	113.6	D754 A755	D754-F757 PolarHBondContact O-N 3.15Å; A755-F757 PolarHBondContact O-N 3.13Å; A755-F757 VanDerWaalsContact O-N 3.16Å
758	Y	35.1	Very low	35	Very low	206 Å²	206	133.6 Å²	133.6	81%	0.808	72%	0.722	S	S	*	*	S	Bend	trans	-95.1	-5.8	-170.5	-114.9	-83.3	0	0	0	115.4	A755	A755-Y758 PolarHBondContact O-N 3.17Å
759	Q	34.8	Very low	34.2	Very low	181 Å²	181	132.6 Å²	132.6	85%	0.846	73%	0.728	S	S	*	*	S	Bend	trans	-103.1	25.9	-167.2	-161.7	152.3	-0.3	0	0	115.2
760	Q	35.7	Very low	33.1	Very low	168 Å²	168	131.7 Å²	131.7	79%	0.785	74%	0.737	S	S	*	*	S	Bend	trans	-124.6	4.7	-178.6	-151.5	165.8	74.8	0	0	116.5
761	Y	30.6	Very low	32.4	Very low	223 Å²	223	135 Å²	135	88%	0.875	75%	0.751	S	S	*	*			trans	-122.7	91.8	175.9	-75.5	-75.7	0	0	0	113.5
762	G	27.9	Very low	31.8	Very low	69 Å²	69	133.9 Å²	133.9	71%	0.711	76%	0.756	S	S	*	*			trans	-77.7	158.2	160.6	0	0	0	0	0	112
763	P	34.9	Very low	31.3	Very low	140 Å²	140	134.6 Å²	134.6	91%	0.909	76%	0.764	S	S	*	*			trans	-87.8	139.3	-165.9	33.1	-35.8	0	0	0	115.3
764	G	27.8	Very low	30.8	Very low	84 Å²	84	138.4 Å²	138.4	87%	0.866	78%	0.775	S	S	*	*			trans	170.7	132.4	162.6	0	0	0	0	0	113.2
765	G	25.8	Very low	30.3	Very low	70 Å²	70	138.4 Å²	138.4	72%	0.722	79%	0.789	S	S	*	*			trans	123.3	58.9	168.6	0	0	0	0	0	118.9
766	T	25.9	Very low	29.9	Very low	132 Å²	132	139.2 Å²	139.2	81%	0.81	80%	0.803	S	S	*	*			trans	33.6	113.7	144.2	53.7	0	0	0	0	122.5
767	W	28.1	Very low	29.4	Very low	225 Å²	225	140.7 Å²	140.7	85%	0.852	81%	0.805	S	S	*	*			trans	-9.1	152.4	135.9	-64.7	103.9	0	0	0	119.4	A769	W767-A769 HydrophobicContact CE3-CB 3.84Å; W767-A769 HydrophobicContact CZ3-CB 4.26Å
768	P	32.4	Very low	28.9	Very low	123 Å²	123	139.8 Å²	139.8	80%	0.799	81%	0.807	S	S	*	*			cis	-126.1	155.1	44	30.6	-11.5	0	0	0	115.4
769	A	28.7	Very low	28.4	Very low	80 Å²	80	135.8 Å²	135.8	66%	0.661	80%	0.804	S	S	*	*			cis	82.9	104.8	42.7	0	0	0	0	0	115	W767	W767-A769 HydrophobicContact CE3-CB 3.84Å; W767-A769 HydrophobicContact CZ3-CB 4.26Å
770	G	26.7	Very low	27.9	Very low	72 Å²	72	137 Å²	137	74%	0.742	81%	0.807	S	S	*	*			trans	174.7	122.5	171.7	0	0	0	0	0	115
771	Q	28.6	Very low	27.5	Very low	191 Å²	191	140 Å²	140	89%	0.893	81%	0.811	S	S	*	*			trans	30.1	122	158.8	-69.9	156.4	-32.5	0	0	120.4
772	V	25.7	Very low	27.4	Very low	122 Å²	122	135.4 Å²	135.4	74%	0.739	81%	0.808	S	S	*	*				83	99	52.3	177.1	0	0	0	0	114.5
773	L	26.6	Very low	27.3	Very low	156 Å²	156	143 Å²	143	82%	0.817	82%	0.816	S	S	*	*			trans	62.2	161.7	157.2	-59	173	0	0	0	117.2
774	Q	24.9	Very low	27	Very low	178 Å²	178	144.4 Å²	144.4	83%	0.832	82%	0.816	S	S	*	*			cis	-143.3	-178.2	3.6	-148	174.4	14.5	0	0	110.7
775	A	29.1	Very low	27	Very low	104 Å²	104	142.9 Å²	142.9	86%	0.86	80%	0.8	S	S	*	*			trans	-80.1	151.3	176.1	0	0	0	0	0	113.3
776	G	27.2	Very low	27.4	Very low	74 Å²	74	144.5 Å²	144.5	76%	0.763	81%	0.807	S	S	*	*			trans	-160.7	159.9	174.9	0	0	0	0	0	111.4
777	E	25.6	Very low	27.4	Very low	180 Å²	180	148 Å²	148	84%	0.841	81%	0.814	S	S	*	*			trans	-78.1	158.2	-173.9	-59	165.3	104.7	0	0	113.2
778	L	24.3	Very low	27.4	Very low	157 Å²	157	141.2 Å²	141.2	82%	0.822	81%	0.813	S	S	*	*				171.8	134.3	110.6	-88.8	168.2	0	0	0	114.1
779	V	25.6	Very low	27.2	Very low	122 Å²	122	144.2 Å²	144.2	74%	0.739	82%	0.817	S	S	*	*			trans	33.2	120.9	139.4	178.9	0	0	0	0	120.1
780	F	23.9	Very low	27.9	Very low	208 Å²	208	145.7 Å²	145.7	91%	0.912	82%	0.819	S	S	*	*			trans	-66.7	134.7	159.8	-86.3	-96.1	0	0	0	112.6
781	R	26.7	Very low	27.9	Very low	230 Å²	230	146.5 Å²	146.5	87%	0.868	82%	0.82	S	S	*	*			trans	-135.2	147.3	150.3	-104.1	-173.9	167	156	-2.3	109.6
782	P	28.9	Very low	28	Very low	126 Å²	126	145.8 Å²	145.8	82%	0.818	82%	0.821	S	S	*	*			trans	-72.5	154.5	-179.5	31.5	-35.1	0	0	0	111.4
783	R	25.8	Very low	28.1	Very low	229 Å²	229	143.9 Å²	143.9	86%	0.864	82%	0.818	S	S	*	*			trans	-125.8	109.5	176.3	179.1	179.7	177.1	167.2	0.4	110.1
784	D	29.3	Very low	28.1	Very low	170 Å²	170	145.3 Å²	145.3	91%	0.909	82%	0.82	S	S	*	*			trans	-104	165.2	155.6	-88.2	-59.3	0	0	0	109.5
785	G	26.5	Very low	28.3	Very low	52 Å²	52	142.3 Å²	142.3	54%	0.536	82%	0.815	S	S	.	*			trans	110.6	98.1	-167.7	0	0	0	0	0	110.1
786	A	34.1	Very low	28.1	Very low	104 Å²	104	142.3 Å²	142.3	86%	0.86	81%	0.808	S	S	*	*			cis	71.5	122.4	38.7	0	0	0	0	0	113.3
787	E	26.4	Very low	28.8	Very low	206 Å²	206	144 Å²	144	96%	0.963	81%	0.806	S	S	*	*			trans	-130.7	143.5	171.7	-69.9	-168.1	122.9	0	0	109.2
788	G	27.7	Very low	28.9	Very low	82 Å²	82	142 Å²	142	85%	0.845	81%	0.806	S	S	*	*			trans	161.9	59.2	-170.4	0	0	0	0	0	112.8
789	Q	29.5	Very low	29.3	Very low	185 Å²	185	138.7 Å²	138.7	86%	0.864	80%	0.802	S	S	*	*			trans	-116.4	170.5	178.8	-86.9	-165.5	10.6	0	0	110.4
790	P	43.9	Very low	29.9	Very low	111 Å²	111	139.1 Å²	139.1	72%	0.721	81%	0.807	S	S	*	*			cis	-138.9	169.3	-38	37.8	-22.8	0	0	0	113.1
791	A	26.3	Very low	30.1	Very low	90 Å²	90	138.3 Å²	138.3	74%	0.744	81%	0.806	S	S	*	*			trans	-174.3	114.1	138.7	0	0	0	0	0	113
792	L	29.8	Very low	30.5	Very low	175 Å²	175	133.3 Å²	133.3	92%	0.916	81%	0.805	S	S	*	*				32.4	132.5	127.3	-59.7	173.3	0	0	0	119.4
793	A	28.8	Very low	31.2	Very low	83 Å²	83	133 Å²	133	69%	0.686	80%	0.803	S	S	*	*			cis	-165	-166.7	2.3	0	0	0	0	0	108.2
794	E	26.6	Very low	32.3	Very low	185 Å²	185	128 Å²	128	86%	0.864	80%	0.799	S	S	*	*			cis	-133.8	-94.6	10.6	-67.2	-175.8	106.2	0	0	113.6
795	T	27.7	Very low	33.4	Very low	116 Å²	116	126.1 Å²	126.1	71%	0.712	80%	0.797	S	S	*	*			trans	-139.9	127.7	-151.9	48.6	0	0	0	0	116.3
796	S	26.2	Very low	33.8	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	81%	0.809	S	S	*	*				21.4	144.6	128.4	61.3	0	0	0	0	120.5
797	P	41.3	Very low	34	Very low	109 Å²	109	136.1 Å²	136.1	71%	0.708	83%	0.828	S	S	*	*				-152.8	158.4	58.3	42.8	-23	0	0	0	121.3
798	T	28.9	Very low	34.3	Very low	137 Å²	137	132.7 Å²	132.7	84%	0.84	82%	0.822	S	S	*	*			trans	57.6	131.6	146.3	50.7	0	0	0	0	122.6
799	A	32.2	Very low	34.7	Very low	89 Å²	89	135.3 Å²	135.3	74%	0.736	82%	0.82	S	S	*	*			trans	-87.7	179.4	164.5	0	0	0	0	0	112.4
800	P	36.8	Very low	35	Very low	130 Å²	130	132.6 Å²	132.6	84%	0.844	82%	0.818	S	S	*	*				-128.2	179.3	128	38.5	-31.9	0	0	0	114.3
801	E	29.3	Very low	34.5	Very low	192 Å²	192	133.8 Å²	133.8	90%	0.897	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-87	171.4	-159.9	-61.2	160.5	111.9	0	0	115.8
802	C	35.3	Very low	35	Very low	125 Å²	125	136.6 Å²	136.6	85%	0.845	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-91.3	149.1	173.3	-60.8	0	0	0	0	112.8
803	P	42.2	Very low	35.3	Very low	120 Å²	120	134 Å²	134	78%	0.779	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-91.5	160.2	155	-8.4	27.8	0	0	0	113.1
804	P	50.1	Low	35.8	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-94.1	173.8	-178.5	38.6	-36.7	0	0	0	114.3
805	P	51.3	Low	36.5	Very low	132 Å²	132	134 Å²	134	86%	0.857	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-99.5	144	-166.6	37.1	-34.9	0	0	0	116.6
806	A	35.7	Very low	37.2	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	84%	0.84	S	S	*	*			trans	-177.4	152.4	154.2	0	0	0	0	0	107.2
807	E	37.4	Very low	38.2	Very low	270 Å²	270	138.4 Å²	138.4	100%	1.262	85%	0.85	S	S	*	*			cis	-117.9	0	-1.4	-66.3	-178.2	110.8	0	0	111.2

Retrieved 807 of 807 residues in 236.8 ms (Link to these results)

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