A0A3Q0KPE1_SCHMA Loading...

Putative bromodomain-containing protein 3, brd3

AlphaFold DB (A0A5K4ESD7), UniProt , Accession A0A3Q0KPE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 960 aa.

						>A0A3Q0KPE1_SCHMA|A0A3Q0KPE1
MSSEANLDSSNSIKSEPHAAKSHSSKITTNQLEYIKKEVVGRLFKEKIVWPFTKPVDHQRLNLPDYPKIIKHPMDLGTIKQRLNLKFYHSSSECLDDLFTMFRNCYIFNKPGDDVVAMAMKLEQIARERLKFMPTPETEICPQKTPKSIRPIGAPLQVHPPIEPIHTAASTNHTEGLNGSAVSVDQTTLPFRPSVTSTSTKKASKKKSDSTIDELPSTPQSYDDLSRDRRQIKKPKREYEERNVGKRLRLSEALKACSNILKDISSQRYRDLNHFFLKPVDVVALGLHDYYDVVKKAMDLSTIKTKLESGQYHTKYDFADDVRLMFNNCYKYNGEDSEVARVGKQLQAIFDENFAKVPDDESDPAASPDGRPVDQNMYQLIQNAIKEHQKLTNQFQRFSEDLQKSTANLNSILSSLSMAVRKAPIGHNTPHINSLPPTQTGLPTVPRPTMNDIDVNITKRGRQSQSKTKYRQSGLSAAAPVLNAPCAPVSSSTVNMSSTHSQPIPVPGYATDEEMSENNVRPMTYDEKRQLSLDINKLPGEKLGRVVQIIQQREPSHRDCNPDEIEIDFETLQHTTLRELEKYVKSVLQKTKSGSRKYVKKGLSGVPPGKTREECMKEKTEELENRLREIGGLPQGAPGYHNAHNPKKSHGTNRLSASSSSSSDSESTSDSSESDSSDSKSYKAASDHKQSHDQVSSTGLQNCSKSTVFLSLNSDDVTNKTSINQPSTFSALDSVASGNYNNDIIYAESIEPKAEQNESSDTESEPNSPHQLPQPVWAISGFSKKPSSEDGTSGKPLLTSSCTATSLSEVSSTVVAARMVNVLPDPIEANDILLPNSQPGKNEEKEKQAAALQIMREARRQSQWSSRAAEEKAIREREEADRRRQEEELALEAERRKEQELRRIEEEKRLLVEARKRDDIAKRKAMIGAPERINAHELLTEFENSVDISCIDACFAMRHF
					

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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	39.7	Very low	38.6	Very low	236 Å²	236	147.2 Å²	147.2	100%	1.163	86%	0.859	S	S	*	*				0	150	0	-61.8	-178.5	80.7	0	0	107.5
2	S	41	Very low	38.5	Very low	123 Å²	123	143.3 Å²	143.3	86%	0.86	85%	0.846	S	S	*	*			trans	50.2	73.1	175.2	-55.3	0	0	0	0	115.8
3	S	32.7	Very low	38.8	Very low	120 Å²	120	145.3 Å²	145.3	84%	0.839	85%	0.848	S	S	*	*			trans	-114.9	102.2	156.1	55.4	0	0	0	0	107.5
4	E	41.6	Very low	39.1	Very low	191 Å²	191	147.3 Å²	147.3	89%	0.893	84%	0.841	S	S	*	*			trans	-117.4	130.6	175.4	-69.7	-173.7	128.3	0	0	109.3
5	A	38.4	Very low	38.9	Very low	95 Å²	95	144.8 Å²	144.8	79%	0.785	84%	0.836	S	S	*	*			trans	-87.9	155.4	165.1	0	0	0	0	0	108.7
6	N	42.9	Very low	39	Very low	164 Å²	164	145.6 Å²	145.6	88%	0.877	83%	0.83	S	S	*	*			trans	-129.3	148.5	157.8	-150.2	-9.8	0	0	0	109.6
7	L	37.3	Very low	38.9	Very low	156 Å²	156	142.5 Å²	142.5	82%	0.817	82%	0.817	S	S	*	*			trans	-107	-170.1	-169.6	-83.9	133	0	0	0	110.7
8	D	37.7	Very low	38.9	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	82%	0.818	S	S	*	*			trans	72.1	142.7	173.9	-103.7	-44.2	0	0	0	116.5
9	S	38.9	Very low	38.9	Very low	106 Å²	106	141.6 Å²	141.6	74%	0.741	81%	0.812	S	S	*	*			cis	-125.8	141	-2.6	-68.4	0	0	0	0	113.1
10	S	37.5	Very low	38.8	Very low	112 Å²	112	139.9 Å²	139.9	78%	0.783	82%	0.816	S	S	*	*			trans	-93.7	143	164.4	71.8	0	0	0	0	109.8
11	N	37	Very low	39.1	Very low	169 Å²	169	141.9 Å²	141.9	90%	0.904	82%	0.815	S	S	*	*			trans	-144.7	141.9	154.7	-140.8	-27.1	0	0	0	110.5
12	S	37.3	Very low	39.2	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	80%	0.799	S	S	*	*			trans	-126.7	122.4	-162.7	-179.2	0	0	0	0	110.9
13	I	41.9	Very low	39.4	Very low	169 Å²	169	139 Å²	139	87%	0.867	80%	0.797	S	S	*	*			trans	-116.7	131.5	165.7	-62.5	-176.1	0	0	0	108.2
14	K	43	Very low	40.1	Very low	173 Å²	173	137.1 Å²	137.1	75%	0.752	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72	144.5	-167.5	-67.2	169	178.7	173.3	0	112	E16	K14-E16 PolarHBondContact O-N 2.82Å
15	S	37	Very low	40.7	Very low	110 Å²	110	132.4 Å²	132.4	77%	0.769	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-67	123	162.1	53.6	0	0	0	0	111.2
16	E	39.8	Very low	42	Very low	157 Å²	157	135.4 Å²	135.4	73%	0.734	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-85.4	129.1	154.4	-79.6	-159.3	135	0	0	110.2	K14	K14-E16 PolarHBondContact O-N 2.82Å
17	P	37.3	Very low	43.5	Very low	94 Å²	94	130 Å²	130	61%	0.61	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-81.2	171.8	154.8	31.1	-26.4	0	0	0	111.1
18	H	39.9	Very low	46	Very low	182 Å²	182	123.1 Å²	123.1	84%	0.843	70%	0.703	S	S	*	*			trans	84.2	63.7	170.2	-48.4	-70.9	0	0	0	119.6
19	A	37.6	Very low	48.6	Very low	85 Å²	85	116.4 Å²	116.4	70%	0.702	67%	0.667	S	S	*	*			trans	-147.4	66	141.6	0	0	0	0	0	111.5	K21	A19-K21 PolarHBondContact O-N 3.22Å
20	A	38.3	Very low	51.3	Low	108 Å²	108	112.7 Å²	112.7	89%	0.893	64%	0.639	S	S	*	*			trans	-70.9	75.3	176.4	0	0	0	0	0	111.2	S22	A20-S22 PolarHBondContact O-N 3.07Å
21	K	44.6	Very low	54.1	Low	182 Å²	182	108 Å²	108	79%	0.791	61%	0.605	S	S	*	*			trans	-57	125.1	169.8	-67.9	179.1	-179.8	177.4	0	108.1	A19 H23	A19-K21 PolarHBondContact O-N 3.22Å; K21-H23 PolarHBondContact O-N 2.95Å
22	S	40.8	Very low	57	Low	118 Å²	118	100.1 Å²	100.1	83%	0.825	56%	0.563	S	S	*	*			trans	-52.2	115.4	176.2	-176.6	0	0	0	0	109.6	A20 S24	A20-S22 PolarHBondContact O-N 3.07Å; S22-S24 PolarHBondContact O-N 3.08Å; S22-S24 VanDerWaalsContact O-N 3.07Å
23	H	45.9	Very low	59.7	Low	179 Å²	179	98.5 Å²	98.5	83%	0.829	54%	0.544	S	S	*	.			trans	-71.2	101.3	167.8	-79.4	-36.4	0	0	0	107.1	K21 S25	K21-H23 PolarHBondContact O-N 2.95Å; H23-S25 PolarHBondContact O-N 2.65Å; H23-S25 VanDerWaalsContact O-N 3.09Å
24	S	48.1	Very low	62.4	Low	81 Å²	81	92.2 Å²	92.2	57%	0.566	51%	0.51	S	S	*	.			trans	-53.8	120.9	170.3	48.9	0	0	0	0	108.8	S22 K26	S22-S24 PolarHBondContact O-N 3.08Å; S22-S24 VanDerWaalsContact O-N 3.07Å; S24-K26 PolarHBondContact O-N 2.91Å
25	S	52.9	Low	64.9	Low	93 Å²	93	84 Å²	84	65%	0.65	47%	0.474	S	S	*	.			trans	-54.3	126.9	176.1	-73.3	0	0	0	0	108.2	H23 I27	H23-S25 PolarHBondContact O-N 2.65Å; H23-S25 VanDerWaalsContact O-N 3.09Å; S25-I27 WeakPolarHBondContact O-CG1 3.17Å; S25-I27 PolarHBondContact O-N 3.29Å
26	K	66.5	Low	67.8	Low	158 Å²	158	81.3 Å²	81.3	69%	0.687	45%	0.449	S	S	*	.			trans	-73	75.8	-176	-63.1	-174.9	-178.4	-179.8	0	110	S24 K86	S24-K26 PolarHBondContact O-N 2.91Å; K26-K86 HydrophobicContact CB-CB 4.17Å; K26-K86 HydrophobicContact CB-CD 3.77Å; K26-K86 VanDerWaalsContact O-CD 3.31Å; K26-K86 WeakPolarHBondContact O-CD 3.41Å; K26-K86 PolarHBondContact O-NZ 2.89Å
27	I	75.1	Confident	70.5	Confident	50 Å²	50	80.2 Å²	80.2	26%	0.256	44%	0.441	S	S	.	.			trans	-65.7	161.4	176.8	-70	156.6	0	0	0	109.3	S25 K86 E139	S25-I27 WeakPolarHBondContact O-CG1 3.17Å; S25-I27 PolarHBondContact O-N 3.29Å; I27-K86 WeakPolarHBondContact O-CD 3.34Å; I27-E139 HydrophobicContact CG2-CG 3.85Å; I27-E139 WeakPolarHBondContact CG2-OE1 3.43Å
28	T	87.9	Confident	73.3	Confident	11 Å²	11	78.6 Å²	78.6	7%	0.067	43%	0.426	C	S	.	.			trans	-158.3	142.7	166.9	-170.9	0	0	0	0	107.9	I140	T28-I140 WeakPolarHBondContact CG2-O 3.31Å; T28-I140 PolarHBondContact O-N 3.23Å
29	T	94	Very high	76.1	Confident	6 Å²	6	70 Å²	70	4%	0.037	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-111.7	165.8	-174.3	66.1	0	0	0	0	112.1	Q31 L32 E33 E137 T138	T29-Q31 PolarHBondContact O-N 2.98Å; T29-L32 HydrophobicContact CG2-CD1 4.3Å; T29-L32 PolarHBondContact O-N 2.94Å; T29-L32 WeakPolarHBondContact OG1-CB 3.28Å; T29-L32 VanDerWaalsContact OG1-CG 3.29Å; T29-L32 WeakPolarHBondContact OG1-CG 3.4Å; T29-L32 PolarHBondContact OG1-N 3.41Å; T29-E33 PolarHBondContact O-N 3.46Å; T29-E137 WeakPolarHBondContact CB-OE1 3.33Å; T29-E137 HydrophobicContact CG2-CG 3.79Å; T29-E137 WeakPolarHBondContact CG2-OE1 3.37Å; T29-E137 PolarHBondContact OG1-OE1 3.42Å; T29-T138 CarbonylContact C-O 3.58Å; T29-T138 WeakPolarHBondContact CA-O 3.31Å; T29-T138 WeakPolarHBondContact CB-O 3.16Å
30	N	94.4	Very high	78.9	Confident	28 Å²	28	66 Å²	66	15%	0.15	35%	0.353	C	S	.	.	H	α-helix	trans	-56.6	-37.1	169.9	64.7	-20.5	0	0	0	112.5	Y34 P136 E137 T138 I140	N30-Y34 VanDerWaalsContact O-CB 3.26Å; N30-Y34 WeakPolarHBondContact O-CB 3.31Å; N30-Y34 PolarHBondContact O-N 3.47Å; N30-P136 PolarHBondContact ND2-O 3.1Å; N30-E137 WeakPolarHBondContact OD1-CA 3.34Å; N30-T138 VanDerWaalsContact CG-OG1 3.25Å; N30-T138 PolarHBondContact N-O 3.5Å; N30-T138 PolarHBondContact ND2-OG1 3.35Å; N30-T138 VanDerWaalsContact ND2-OG1 3.12Å; N30-T138 PolarHBondContact OD1-N 2.93Å; N30-T138 PolarHBondContact OD1-O 2.82Å; N30-I140 HydrophobicContact CB-CD1 3.84Å; N30-I140 HydrophobicContact CB-CG1 4.28Å
31	Q	96.8	Very high	81.7	Confident	14 Å²	14	61.9 Å²	61.9	7%	0.065	32%	0.32	C	S	.	.	H	α-helix	trans	-76.5	-39.2	177.9	-66.6	-170.5	-2.6	0	0	112.2	T29 Y34 I35 S91 M133 P134 E137	T29-Q31 PolarHBondContact O-N 2.98Å; Q31-Y34 WeakPolarHBondContact O-CB 3.44Å; Q31-Y34 PolarHBondContact O-N 3.43Å; Q31-I35 WeakPolarHBondContact O-CB 3.4Å; Q31-I35 VanDerWaalsContact O-CG1 3.29Å; Q31-I35 WeakPolarHBondContact O-CG1 3.41Å; Q31-I35 PolarHBondContact O-N 2.9Å; Q31-S91 PolarHBondContact OE1-OG 3.01Å; Q31-M133 HydrophobicContact CB-CG 4.19Å; Q31-M133 HydrophobicContact CB-SD 3.88Å; Q31-M133 HydrophobicContact CG-CE 4.39Å; Q31-M133 HydrophobicContact CG-CG 3.81Å; Q31-M133 HydrophobicContact CG-SD 3.99Å; Q31-P134 VanDerWaalsContact CG-O 3.24Å; Q31-P134 WeakPolarHBondContact CG-O 3.46Å; Q31-P134 PolarHBondContact NE2-O 3.5Å; Q31-E137 HydrophobicContact CB-CG 4.16Å; Q31-E137 HydrophobicContact CG-CB 4.12Å; Q31-E137 HydrophobicContact CG-CG 4.12Å
32	L	96.9	Very high	84.1	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-43.6	174.6	-74.6	170	0	0	0	112.3	T29 Y34 I35 K36 L83 Y88 C94	T29-L32 HydrophobicContact CG2-CD1 4.3Å; T29-L32 PolarHBondContact O-N 2.94Å; T29-L32 WeakPolarHBondContact OG1-CB 3.28Å; T29-L32 VanDerWaalsContact OG1-CG 3.29Å; T29-L32 WeakPolarHBondContact OG1-CG 3.4Å; T29-L32 PolarHBondContact OG1-N 3.41Å; L32-Y34 VanDerWaalsContact C-N 3.33Å; L32-I35 PolarHBondContact O-N 3.19Å; L32-K36 WeakPolarHBondContact O-CB 3.34Å; L32-K36 PolarHBondContact O-N 3.44Å; L32-L83 HydrophobicContact CB-CD2 4.22Å; L32-L83 HydrophobicContact CD2-CD2 3.74Å; L32-Y88 WeakPolarHBondContact CD1-O 3.21Å; L32-Y88 HydrophobicContact CD2-CD2 4.24Å; L32-Y88 HydrophobicContact CD2-CG 4.3Å; L32-C94 HydrophobicContact CD2-CB 3.65Å
33	E	95.3	Very high	86.8	Confident	67 Å²	67	52.3 Å²	52.3	31%	0.313	26%	0.261	S	S	.	.	H	α-helix	trans	-67.1	-32.9	172.7	-79.1	-66.7	150.1	0	0	112.2	T29 K36 K37	T29-E33 PolarHBondContact O-N 3.46Å; E33-K36 IonicContact OE1-NZ 2.66Å; E33-K36 PolarHBondContact OE1-NZ 3.04Å; E33-K36 IonicContact OE2-NZ 2.68Å; E33-K37 VanDerWaalsContact O-CB 3.22Å; E33-K37 WeakPolarHBondContact O-CB 3.41Å; E33-K37 PolarHBondContact O-N 3.43Å
34	Y	97.4	Very high	89.3	Confident	37 Å²	37	46.6 Å²	46.6	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-50.2	171.8	-175.7	-89.4	0	0	0	112	N30 Q31 L32 K36 K37 E38 V39 R129 F132 M133 P134	N30-Y34 VanDerWaalsContact O-CB 3.26Å; N30-Y34 WeakPolarHBondContact O-CB 3.31Å; N30-Y34 PolarHBondContact O-N 3.47Å; Q31-Y34 WeakPolarHBondContact O-CB 3.44Å; Q31-Y34 PolarHBondContact O-N 3.43Å; L32-Y34 VanDerWaalsContact C-N 3.33Å; Y34-K36 VanDerWaalsContact C-N 3.34Å; Y34-K36 PolarHBondContact O-N 2.97Å; Y34-K37 PolarHBondContact O-N 2.94Å; Y34-E38 HydrophobicContact CD1-CB 4.48Å; Y34-E38 HydrophobicContact CD2-CB 4.24Å; Y34-E38 HydrophobicContact CD2-CG 3.99Å; Y34-E38 HydrophobicContact CE1-CB 4.07Å; Y34-E38 HydrophobicContact CE2-CB 3.83Å; Y34-E38 HydrophobicContact CE2-CG 3.71Å; Y34-E38 PolarHBondContact O-N 2.96Å; Y34-V39 HydrophobicContact CD1-CG2 4.22Å; Y34-V39 HydrophobicContact CE1-CG2 3.97Å; Y34-R129 PolarHBondContact OH-O 3.37Å; Y34-F132 WeakPolarHBondContact CE2-O 3.45Å; Y34-M133 HydrophobicContact CD1-CB 3.88Å; Y34-M133 HydrophobicContact CD1-CG 3.78Å; Y34-M133 HydrophobicContact CD1-SD 4.43Å; Y34-M133 HydrophobicContact CE1-CB 3.95Å; Y34-M133 HydrophobicContact CE1-CG 4.38Å; Y34-M133 HydrophobicContact CG-CG 4.29Å; Y34-P134 HydrophobicContact CD2-CG 4.23Å
35	I	97.4	Very high	91.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-59.3	-46.4	178.2	-69.4	163.9	0	0	0	110.1	Q31 L32 K37 V39 V40 L83 L95 L130 M133	Q31-I35 WeakPolarHBondContact O-CB 3.4Å; Q31-I35 VanDerWaalsContact O-CG1 3.29Å; Q31-I35 WeakPolarHBondContact O-CG1 3.41Å; Q31-I35 PolarHBondContact O-N 2.9Å; L32-I35 PolarHBondContact O-N 3.19Å; I35-K37 PolarHBondContact O-N 3.18Å; I35-V39 HydrophobicContact CG1-CG2 4.4Å; I35-V39 HydrophobicContact CG2-CB 4.32Å; I35-V39 CarbonylContact O-C 3.56Å; I35-V39 WeakPolarHBondContact O-CA 3.49Å; I35-V39 WeakPolarHBondContact O-CB 3.33Å; I35-V39 PolarHBondContact O-N 3.42Å; I35-V40 HydrophobicContact CG2-CG2 4.02Å; I35-V40 PolarHBondContact O-N 3.44Å; I35-L83 HydrophobicContact CG2-CD1 4.39Å; I35-L95 HydrophobicContact CD1-CD1 4.47Å; I35-L95 HydrophobicContact CD1-CD2 3.88Å; I35-L95 HydrophobicContact CD1-CG 3.94Å; I35-L95 HydrophobicContact CG1-CD2 4.4Å; I35-L130 HydrophobicContact CG1-CD2 4.18Å; I35-M133 HydrophobicContact CD1-SD 3.97Å; I35-M133 HydrophobicContact CG1-SD 3.96Å
36	K	97	Very high	93.7	Very high	54 Å²	54	47.5 Å²	47.5	24%	0.235	22%	0.217	C	C	.	.	I	π-helix	trans	-56.2	-45.7	175.9	-177.2	177.9	175.4	179.1	0	113.4	L32 E33 Y34 G41 L83 N84	L32-K36 WeakPolarHBondContact O-CB 3.34Å; L32-K36 PolarHBondContact O-N 3.44Å; E33-K36 IonicContact OE1-NZ 2.66Å; E33-K36 PolarHBondContact OE1-NZ 3.04Å; E33-K36 IonicContact OE2-NZ 2.68Å; Y34-K36 VanDerWaalsContact C-N 3.34Å; Y34-K36 PolarHBondContact O-N 2.97Å; K36-G41 PolarHBondContact O-N 3.23Å; K36-G41 VanDerWaalsContact O-N 3.08Å; K36-L83 HydrophobicContact CB-CB 4.43Å; K36-L83 HydrophobicContact CB-CD1 3.96Å; K36-L83 HydrophobicContact CB-CD2 4.27Å; K36-L83 HydrophobicContact CB-CG 4.46Å; K36-L83 HydrophobicContact CD-CB 4.26Å; K36-L83 HydrophobicContact CG-CB 4.26Å; K36-L83 HydrophobicContact CG-CD1 4.44Å; K36-N84 WeakPolarHBondContact CE-OD1 3.28Å
37	K	96	Very high	95.1	Very high	134 Å²	134	49.7 Å²	49.7	58%	0.583	23%	0.226	S	C	*	.	I	π-helix	trans	-88.7	-47.7	-171.8	-174.8	172.4	169.9	-82.1	0	113.8	E33 Y34 I35 G41	E33-K37 VanDerWaalsContact O-CB 3.22Å; E33-K37 WeakPolarHBondContact O-CB 3.41Å; E33-K37 PolarHBondContact O-N 3.43Å; Y34-K37 PolarHBondContact O-N 2.94Å; I35-K37 PolarHBondContact O-N 3.18Å; K37-G41 WeakPolarHBondContact O-CA 3.36Å
38	E	96.8	Very high	96.1	Very high	60 Å²	60	49.3 Å²	49.3	28%	0.28	22%	0.224	S	C	.	.	I	π-helix	trans	-103.2	-22.2	-169.4	-58.3	-57.6	152.5	0	0	113.9	Y34 R42 R129	Y34-E38 HydrophobicContact CD1-CB 4.48Å; Y34-E38 HydrophobicContact CD2-CB 4.24Å; Y34-E38 HydrophobicContact CD2-CG 3.99Å; Y34-E38 HydrophobicContact CE1-CB 4.07Å; Y34-E38 HydrophobicContact CE2-CB 3.83Å; Y34-E38 HydrophobicContact CE2-CG 3.71Å; Y34-E38 PolarHBondContact O-N 2.96Å; E38-R42 WeakPolarHBondContact O-CB 3.19Å; E38-R129 WeakPolarHBondContact O-CD 3.49Å; E38-R129 WeakPolarHBondContact O-CG 3.35Å
39	V	97.7	Very high	96.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-97.6	-75.2	175.8	-171.8	0	0	0	0	109.9	Y34 I35 G41 R42 L43 L98 A126 R129 L130	Y34-V39 HydrophobicContact CD1-CG2 4.22Å; Y34-V39 HydrophobicContact CE1-CG2 3.97Å; I35-V39 HydrophobicContact CG1-CG2 4.4Å; I35-V39 HydrophobicContact CG2-CB 4.32Å; I35-V39 CarbonylContact O-C 3.56Å; I35-V39 WeakPolarHBondContact O-CA 3.49Å; I35-V39 WeakPolarHBondContact O-CB 3.33Å; I35-V39 PolarHBondContact O-N 3.42Å; V39-G41 VanDerWaalsContact C-N 3.33Å; V39-G41 PolarHBondContact O-N 3.47Å; V39-R42 WeakPolarHBondContact O-CA 3.35Å; V39-R42 WeakPolarHBondContact O-CB 3.48Å; V39-R42 PolarHBondContact O-N 2.99Å; V39-L43 HydrophobicContact CG1-CD1 4.46Å; V39-L43 WeakPolarHBondContact O-CG 3.23Å; V39-L43 PolarHBondContact O-N 3.34Å; V39-L98 HydrophobicContact CG1-CD2 3.93Å; V39-A126 HydrophobicContact CG1-CB 4.09Å; V39-R129 HydrophobicContact CG2-CB 3.88Å; V39-L130 HydrophobicContact CG2-CD2 3.84Å; V39-L130 HydrophobicContact CG2-CG 4.17Å
40	V	97.6	Very high	96.6	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	26%	0.255	C	S	.	.	I	π-helix	trans	-58.5	-44.9	179	177.3	0	0	0	0	110.8	I35 R42 L43 F44 I79 K80 L83	I35-V40 HydrophobicContact CG2-CG2 4.02Å; I35-V40 PolarHBondContact O-N 3.44Å; V40-R42 PolarHBondContact O-N 3.08Å; V40-L43 PolarHBondContact O-N 3.15Å; V40-F44 HydrophobicContact CG1-CD2 3.82Å; V40-F44 HydrophobicContact CG1-CE2 3.87Å; V40-F44 WeakPolarHBondContact O-CD2 3.28Å; V40-F44 PolarHBondContact O-N 3.07Å; V40-F44 VanDerWaalsContact O-N 3.09Å; V40-I79 HydrophobicContact CG2-CG2 4.07Å; V40-K80 HydrophobicContact CG1-CB 4.13Å; V40-L83 HydrophobicContact CG2-CD1 4.09Å
41	G	96.3	Very high	96.7	Very high	21 Å²	21	57.8 Å²	57.8	22%	0.216	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-10.9	174.3	0	0	0	0	0	115.6	K36 K37 V39 K45	K36-G41 PolarHBondContact O-N 3.23Å; K36-G41 VanDerWaalsContact O-N 3.08Å; K37-G41 WeakPolarHBondContact O-CA 3.36Å; V39-G41 VanDerWaalsContact C-N 3.33Å; V39-G41 PolarHBondContact O-N 3.47Å; G41-K45 WeakPolarHBondContact O-CD 3.12Å; G41-K45 WeakPolarHBondContact O-CE 3.3Å; G41-K45 PolarHBondContact O-NZ 3.41Å
42	R	96	Very high	96.8	Very high	98 Å²	98	57.7 Å²	57.7	37%	0.37	26%	0.258	S	S	.	.	H	α-helix	trans	-93.2	-46.3	167.2	179.8	66.6	-159.2	-151.8	5.8	111.6	E38 V39 V40 F44 K45 E46 I125	E38-R42 WeakPolarHBondContact O-CB 3.19Å; V39-R42 WeakPolarHBondContact O-CA 3.35Å; V39-R42 WeakPolarHBondContact O-CB 3.48Å; V39-R42 PolarHBondContact O-N 2.99Å; V40-R42 PolarHBondContact O-N 3.08Å; R42-F44 VanDerWaalsContact C-N 3.28Å; R42-F44 PolarHBondContact O-N 3.24Å; R42-K45 WeakPolarHBondContact O-CB 3.26Å; R42-K45 PolarHBondContact O-N 3.41Å; R42-E46 IonicContact CZ-OE1 2.77Å; R42-E46 IonicContact NE-OE1 3.43Å; R42-E46 PolarHBondContact NE-OE1 3.09Å; R42-E46 IonicContact NH2-OE1 3.13Å; R42-E46 PolarHBondContact NH2-OE1 2.64Å; R42-I125 HydrophobicContact CG-CG2 4.14Å
43	L	97.9	Very high	96.8	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-43.6	179.3	-64.8	174.4	0	0	0	111.6	V39 V40 K45 E46 V49 L76 L98 L122 I125 A126	V39-L43 HydrophobicContact CG1-CD1 4.46Å; V39-L43 WeakPolarHBondContact O-CG 3.23Å; V39-L43 PolarHBondContact O-N 3.34Å; V40-L43 PolarHBondContact O-N 3.15Å; L43-K45 PolarHBondContact O-N 3.33Å; L43-E46 PolarHBondContact O-N 3.19Å; L43-V49 WeakPolarHBondContact O-CB 3.43Å; L43-V49 VanDerWaalsContact O-CG2 3.3Å; L43-V49 WeakPolarHBondContact O-CG2 3.37Å; L43-L76 HydrophobicContact CB-CD1 3.8Å; L43-L76 HydrophobicContact CD1-CD1 4.31Å; L43-L76 HydrophobicContact CD1-CD2 3.89Å; L43-L98 HydrophobicContact CD1-CD1 3.99Å; L43-L122 HydrophobicContact CD2-CB 4.25Å; L43-L122 HydrophobicContact CD2-CD2 3.96Å; L43-L122 VanDerWaalsContact CD2-O 3.25Å; L43-L122 WeakPolarHBondContact CD2-O 3.33Å; L43-I125 HydrophobicContact CD2-CB 4.27Å; L43-I125 HydrophobicContact CD2-CG2 4.03Å; L43-A126 HydrophobicContact CD1-CB 4.23Å; L43-A126 HydrophobicContact CD2-CB 4.32Å
44	F	97.2	Very high	96.9	Very high	60 Å²	60	63.5 Å²	63.5	26%	0.263	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-8	175	-93.7	-73.1	0	0	0	115.8	V40 R42 T53 L76 K80	V40-F44 HydrophobicContact CG1-CD2 3.82Å; V40-F44 HydrophobicContact CG1-CE2 3.87Å; V40-F44 WeakPolarHBondContact O-CD2 3.28Å; V40-F44 PolarHBondContact O-N 3.07Å; V40-F44 VanDerWaalsContact O-N 3.09Å; R42-F44 VanDerWaalsContact C-N 3.28Å; R42-F44 PolarHBondContact O-N 3.24Å; F44-T53 HydrophobicContact CD1-CG2 4.31Å; F44-T53 HydrophobicContact CE1-CG2 3.97Å; F44-L76 HydrophobicContact CD2-CB 4.35Å; F44-L76 HydrophobicContact CE2-CB 3.59Å; F44-L76 WeakPolarHBondContact CE2-O 3.48Å; F44-L76 HydrophobicContact CZ-CB 3.75Å; F44-K80 HydrophobicContact CD2-CD 4.04Å; F44-K80 HydrophobicContact CE2-CB 4.05Å; F44-K80 HydrophobicContact CE2-CD 3.5Å; F44-K80 VanDerWaalsContact CE2-CD 3.5Å; F44-K80 HydrophobicContact CE2-CG 4.41Å; F44-K80 HydrophobicContact CZ-CD 3.95Å
45	K	96.7	Very high	96.9	Very high	156 Å²	156	65.8 Å²	65.8	68%	0.678	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-11.1	177.3	-61.5	171.5	-178.6	161	0	113.2	G41 R42 L43	G41-K45 WeakPolarHBondContact O-CD 3.12Å; G41-K45 WeakPolarHBondContact O-CE 3.3Å; G41-K45 PolarHBondContact O-NZ 3.41Å; R42-K45 WeakPolarHBondContact O-CB 3.26Å; R42-K45 PolarHBondContact O-N 3.41Å; L43-K45 PolarHBondContact O-N 3.33Å
46	E	97	Very high	96.8	Very high	37 Å²	37	67.9 Å²	67.9	17%	0.173	32%	0.317	C	S	.	.	S	Bend	trans	-80.4	130.5	-179.6	-60	-56.1	152.1	0	0	110.5	R42 L43 I48 V49 L122 I125	R42-E46 IonicContact CZ-OE1 2.77Å; R42-E46 IonicContact NE-OE1 3.43Å; R42-E46 PolarHBondContact NE-OE1 3.09Å; R42-E46 IonicContact NH2-OE1 3.13Å; R42-E46 PolarHBondContact NH2-OE1 2.64Å; L43-E46 PolarHBondContact O-N 3.19Å; E46-I48 HydrophobicContact CB-CG1 4.28Å; E46-I48 PolarHBondContact O-N 3.04Å; E46-V49 VanDerWaalsContact O-CB 3.29Å; E46-V49 WeakPolarHBondContact O-CB 3.26Å; E46-V49 WeakPolarHBondContact O-CG1 3.13Å; E46-V49 PolarHBondContact O-N 2.89Å; E46-L122 HydrophobicContact CB-CD2 3.93Å; E46-L122 HydrophobicContact CG-CD2 4.3Å; E46-I125 HydrophobicContact CG-CD1 3.87Å
47	K	96.4	Very high	96.7	Very high	203 Å²	203	68.1 Å²	68.1	88%	0.883	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.2	-174.5	-65.1	-173.9	178.5	-176.3	0	114	V49	K47-V49 VanDerWaalsContact C-N 3.34Å
48	I	95.6	Very high	96.5	Very high	42 Å²	42	64.5 Å²	64.5	22%	0.215	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-83.8	-1.1	-179.6	58.3	170.7	0	0	0	114.2	E46 W50 P51 M118 K121 L122	E46-I48 HydrophobicContact CB-CG1 4.28Å; E46-I48 PolarHBondContact O-N 3.04Å; I48-W50 PolarHBondContact O-N 2.9Å; I48-P51 WeakPolarHBondContact O-CD 3.37Å; I48-M118 HydrophobicContact CB-CB 4.3Å; I48-M118 HydrophobicContact CB-CE 4.06Å; I48-M118 HydrophobicContact CB-CG 4.02Å; I48-M118 HydrophobicContact CG2-CG 4.18Å; I48-M118 WeakPolarHBondContact O-CE 3.31Å; I48-K121 HydrophobicContact CD1-CB 3.77Å; I48-K121 HydrophobicContact CD1-CD 3.81Å; I48-K121 HydrophobicContact CD1-CG 3.7Å; I48-L122 HydrophobicContact CD1-CD2 4.27Å; I48-L122 HydrophobicContact CD1-CG 3.89Å; I48-L122 HydrophobicContact CG1-CD1 4.37Å; I48-L122 HydrophobicContact CG1-CD2 4.01Å; I48-L122 HydrophobicContact CG1-CG 3.99Å
49	V	97.6	Very high	96.3	Very high	12 Å²	12	66.7 Å²	66.7	7%	0.073	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-68.7	-19.4	-174.3	75.1	0	0	0	0	114	L43 E46 K47 P51 F52 T53 L76 L122	L43-V49 WeakPolarHBondContact O-CB 3.43Å; L43-V49 VanDerWaalsContact O-CG2 3.3Å; L43-V49 WeakPolarHBondContact O-CG2 3.37Å; E46-V49 VanDerWaalsContact O-CB 3.29Å; E46-V49 WeakPolarHBondContact O-CB 3.26Å; E46-V49 WeakPolarHBondContact O-CG1 3.13Å; E46-V49 PolarHBondContact O-N 2.89Å; K47-V49 VanDerWaalsContact C-N 3.34Å; V49-P51 WeakPolarHBondContact O-CD 3.49Å; V49-P51 VanDerWaalsContact O-N 3.12Å; V49-F52 WeakPolarHBondContact O-CB 3.49Å; V49-F52 PolarHBondContact O-N 3.34Å; V49-T53 HydrophobicContact CB-CG2 4.44Å; V49-T53 HydrophobicContact CG1-CG2 3.8Å; V49-T53 HydrophobicContact CG2-CG2 4.12Å; V49-L76 HydrophobicContact CG2-CD1 3.38Å; V49-L122 HydrophobicContact CB-CD2 4.25Å; V49-L122 HydrophobicContact CG2-CD2 4.34Å
50	W	95.7	Very high	96.1	Very high	179 Å²	179	75.7 Å²	75.7	68%	0.678	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-52.4	-39	-163	69.2	-96.3	0	0	0	116.5	I48 F52 T53 M118	I48-W50 PolarHBondContact O-N 2.9Å; W50-F52 PolarHBondContact O-N 3.03Å; W50-T53 PolarHBondContact O-N 3.31Å; W50-T53 PolarHBondContact O-OG1 3.39Å; W50-M118 HydrophobicContact CZ2-CE 4.43Å
51	P	96.4	Very high	95.8	Very high	32 Å²	32	80.3 Å²	80.3	21%	0.208	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-65.5	-24.1	178.5	-18.2	32.7	0	0	0	113.2	I48 V49 V115 M118	I48-P51 WeakPolarHBondContact O-CD 3.37Å; V49-P51 WeakPolarHBondContact O-CD 3.49Å; V49-P51 VanDerWaalsContact O-N 3.12Å; P51-V115 HydrophobicContact CB-CG2 4.02Å; P51-V115 HydrophobicContact CG-CG2 4.24Å; P51-M118 HydrophobicContact CG-CE 3.45Å; P51-M118 VanDerWaalsContact CG-CE 3.45Å
52	F	98.1	Very high	95.6	Very high	13 Å²	13	84.5 Å²	84.5	6%	0.057	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-99.8	4.7	-173.5	-51.6	-80.3	0	0	0	113	V49 W50 L76 M101 C105 V115 M118 A119 L122	V49-F52 WeakPolarHBondContact O-CB 3.49Å; V49-F52 PolarHBondContact O-N 3.34Å; W50-F52 PolarHBondContact O-N 3.03Å; F52-L76 HydrophobicContact CB-CD1 4.47Å; F52-L76 WeakPolarHBondContact O-CB 3.47Å; F52-L76 PolarHBondContact O-N 2.78Å; F52-M101 HydrophobicContact CB-CE 4.28Å; F52-M101 HydrophobicContact CB-SD 3.85Å; F52-M101 HydrophobicContact CD1-CE 4.39Å; F52-M101 HydrophobicContact CD1-CG 4.11Å; F52-M101 HydrophobicContact CD1-SD 4.28Å; F52-M101 HydrophobicContact CG-SD 4.47Å; F52-C105 HydrophobicContact CE1-CB 4Å; F52-V115 HydrophobicContact CE2-CG2 4.4Å; F52-V115 HydrophobicContact CZ-CG2 3.82Å; F52-M118 HydrophobicContact CE2-CB 4.2Å; F52-A119 HydrophobicContact CE1-CB 4.16Å; F52-A119 HydrophobicContact CZ-CB 3.74Å; F52-L122 HydrophobicContact CD2-CD1 3.35Å; F52-L122 HydrophobicContact CE2-CD1 3.61Å; F52-L122 HydrophobicContact CG-CD1 4.23Å
53	T	97.6	Very high	95.3	Very high	39 Å²	39	82.2 Å²	82.2	24%	0.239	39%	0.386	C	S	.	.	S	Bend	trans	-84.5	-15.2	-174.1	57.2	0	0	0	0	115.2	F44 V49 W50 G77	F44-T53 HydrophobicContact CD1-CG2 4.31Å; F44-T53 HydrophobicContact CE1-CG2 3.97Å; V49-T53 HydrophobicContact CB-CG2 4.44Å; V49-T53 HydrophobicContact CG1-CG2 3.8Å; V49-T53 HydrophobicContact CG2-CG2 4.12Å; W50-T53 PolarHBondContact O-N 3.31Å; W50-T53 PolarHBondContact O-OG1 3.39Å; T53-G77 PolarHBondContact O-N 3.04Å
54	K	96.4	Very high	95	Very high	153 Å²	153	85.7 Å²	85.7	67%	0.665	41%	0.409	S	S	*	.	S	Bend	trans	-149	160.7	-175.8	-65.7	-173.2	179.8	-176.3	0	109.2	D75	K54-D75 VanDerWaalsContact C-CB 3.46Å; K54-D75 VanDerWaalsContact CA-OD1 3.27Å; K54-D75 WeakPolarHBondContact CA-OD1 3.32Å; K54-D75 WeakPolarHBondContact O-CB 3.44Å
55	P	97.3	Very high	94.7	Very high	85 Å²	85	86 Å²	86	55%	0.552	41%	0.414	S	S	*	.			trans	-53.2	144.2	171.4	-25.7	33.3	0	0	0	112.1	D57 D75	P55-D57 PolarHBondContact O-N 3.49Å; P55-D75 WeakPolarHBondContact CD-OD2 3.39Å; P55-D75 WeakPolarHBondContact CG-OD2 3.33Å; P55-D75 VanDerWaalsContact N-CG 3.34Å
56	V	95.7	Very high	94.6	Very high	45 Å²	45	79.4 Å²	79.4	27%	0.273	39%	0.385	S	S	.	.			trans	-66.3	109.3	179.8	177.8	0	0	0	0	109.8	H58 L61 L63 Y66	V56-H58 PolarHBondContact O-N 3.07Å; V56-L61 HydrophobicContact CG1-CD1 4.11Å; V56-L63 HydrophobicContact CG1-CD1 4.36Å; V56-Y66 HydrophobicContact CB-CD1 4.29Å; V56-Y66 HydrophobicContact CB-CE1 3.76Å; V56-Y66 HydrophobicContact CB-CE2 4.2Å; V56-Y66 HydrophobicContact CG1-CD1 4.2Å; V56-Y66 HydrophobicContact CG1-CD2 4.07Å; V56-Y66 HydrophobicContact CG1-CE1 4.1Å; V56-Y66 HydrophobicContact CG1-CE2 3.97Å; V56-Y66 HydrophobicContact CG1-CG 4.2Å; V56-Y66 HydrophobicContact CG2-CE1 4.19Å; V56-Y66 HydrophobicContact CG2-CE2 4.09Å; V56-Y66 WeakPolarHBondContact CG2-OH 3.18Å
57	D	94.8	Very high	94.4	Very high	59 Å²	59	80.9 Å²	80.9	32%	0.316	40%	0.397	S	S	.	.			trans	-74.4	73.3	173.5	-174.5	-9.3	0	0	0	110.2	P55 Q59 R60 L61	P55-D57 PolarHBondContact O-N 3.49Å; D57-Q59 PolarHBondContact O-N 3.42Å; D57-Q59 PolarHBondContact OD1-N 3.38Å; D57-R60 HydrophobicContact CB-CB 4.27Å; D57-R60 PolarHBondContact O-N 3.43Å; D57-R60 VanDerWaalsContact OD1-CB 3.31Å; D57-R60 WeakPolarHBondContact OD1-CB 3.13Å; D57-R60 PolarHBondContact OD1-N 3.17Å; D57-R60 WeakPolarHBondContact OD2-CB 3.25Å; D57-R60 IonicContact OD2-CZ 3.6Å; D57-R60 IonicContact OD2-NE 3.15Å; D57-R60 PolarHBondContact OD2-NE 3.22Å; D57-R60 IonicContact OD2-NH2 2.69Å; D57-L61 WeakPolarHBondContact O-CB 3.29Å; D57-L61 WeakPolarHBondContact O-CG 3.36Å; D57-L61 PolarHBondContact O-N 3.14Å
58	H	92.7	Very high	94.3	Very high	58 Å²	58	74.7 Å²	74.7	27%	0.269	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.6	179.7	73.6	92.1	0	0	0	112.6	V56 N62 L63 Y66	V56-H58 PolarHBondContact O-N 3.07Å; H58-N62 PolarHBondContact O-N 2.85Å; H58-L63 HydrophobicContact CB-CB 4.14Å; H58-L63 PolarHBondContact O-N 2.69Å; H58-Y66 HydrophobicContact CB-CD1 4.32Å; H58-Y66 HydrophobicContact CB-CG 4.27Å
59	Q	92.6	Very high	94.1	Very high	105 Å²	105	74.1 Å²	74.1	49%	0.491	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-45.4	174.3	-67.9	-164.2	4.4	0	0	112.1	D57 K592	D57-Q59 PolarHBondContact O-N 3.42Å; D57-Q59 PolarHBondContact OD1-N 3.38Å; Q59-K592 WeakPolarHBondContact O-CE 3.31Å; Q59-K592 PolarHBondContact O-NZ 3.48Å
60	R	93.1	Very high	93.9	Very high	189 Å²	189	73.8 Å²	73.8	71%	0.713	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-35.7	178.9	179.8	173.2	50.6	128.5	10.2	112.6	D57 N62	D57-R60 HydrophobicContact CB-CB 4.27Å; D57-R60 PolarHBondContact O-N 3.43Å; D57-R60 VanDerWaalsContact OD1-CB 3.31Å; D57-R60 WeakPolarHBondContact OD1-CB 3.13Å; D57-R60 PolarHBondContact OD1-N 3.17Å; D57-R60 WeakPolarHBondContact OD2-CB 3.25Å; D57-R60 IonicContact OD2-CZ 3.6Å; D57-R60 IonicContact OD2-NE 3.15Å; D57-R60 PolarHBondContact OD2-NE 3.22Å; D57-R60 IonicContact OD2-NH2 2.69Å; R60-N62 PolarHBondContact O-N 3.49Å
61	L	91.8	Very high	93.8	Very high	100 Å²	100	72 Å²	72	52%	0.524	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.6	175.9	-63.5	172.8	0	0	0	113.3	V56 D57 L63	V56-L61 HydrophobicContact CG1-CD1 4.11Å; D57-L61 WeakPolarHBondContact O-CB 3.29Å; D57-L61 WeakPolarHBondContact O-CG 3.36Å; D57-L61 PolarHBondContact O-N 3.14Å; L61-L63 HydrophobicContact CB-CD1 3.81Å; L61-L63 HydrophobicContact CB-CG 3.78Å; L61-L63 HydrophobicContact CD1-CD1 4.13Å; L61-L63 PolarHBondContact O-N 2.69Å
62	N	91.1	Very high	93.7	Very high	109 Å²	109	77.2 Å²	77.2	58%	0.583	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	48.1	-177.3	-166	71.6	0	0	0	113.1	H58 R60 P64	H58-N62 PolarHBondContact O-N 2.85Å; R60-N62 PolarHBondContact O-N 3.49Å; N62-P64 WeakPolarHBondContact O-CD 3.44Å
63	L	90.4	Very high	93.6	Very high	49 Å²	49	80.2 Å²	80.2	26%	0.257	40%	0.404	S	S	.	.			trans	-110.2	69.1	179.4	-55.8	177.4	0	0	0	110.2	V56 H58 L61 D65 Y66 F108	V56-L63 HydrophobicContact CG1-CD1 4.36Å; H58-L63 HydrophobicContact CB-CB 4.14Å; H58-L63 PolarHBondContact O-N 2.69Å; L61-L63 HydrophobicContact CB-CD1 3.81Å; L61-L63 HydrophobicContact CB-CG 3.78Å; L61-L63 HydrophobicContact CD1-CD1 4.13Å; L61-L63 PolarHBondContact O-N 2.69Å; L63-D65 PolarHBondContact O-N 2.86Å; L63-Y66 WeakPolarHBondContact O-CB 3.45Å; L63-Y66 PolarHBondContact O-N 2.83Å; L63-Y66 VanDerWaalsContact O-N 3.13Å; L63-F108 HydrophobicContact CB-CE1 4.5Å; L63-F108 HydrophobicContact CB-CZ 4.04Å; L63-F108 HydrophobicContact CD1-CE1 3.85Å; L63-F108 HydrophobicContact CD1-CZ 4.22Å; L63-F108 HydrophobicContact CD2-CE1 3.99Å; L63-F108 HydrophobicContact CD2-CZ 4.07Å; L63-F108 HydrophobicContact CG-CE1 4.32Å; L63-F108 HydrophobicContact CG-CZ 4.33Å
64	P	90.9	Very high	93.6	Very high	74 Å²	74	79.2 Å²	79.2	48%	0.481	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.3	-172	27.5	-36.8	0	0	0	114	N62 K68	N62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-K68 WeakPolarHBondContact O-CE 3.42Å
65	D	91.2	Very high	93.7	Very high	67 Å²	67	72.1 Å²	72.1	36%	0.358	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-8.5	-179	-56.3	-60.1	0	0	0	114	L63 K68 I69	L63-D65 PolarHBondContact O-N 2.86Å; D65-K68 HydrophobicContact CB-CD 4.41Å; D65-K68 WeakPolarHBondContact O-CA 3.22Å; D65-K68 WeakPolarHBondContact O-CB 3.31Å; D65-K68 PolarHBondContact O-N 3.02Å; D65-K68 WeakPolarHBondContact OD1-CD 3.22Å; D65-K68 WeakPolarHBondContact OD1-CE 3.32Å; D65-K68 IonicContact OD1-NZ 3.55Å; D65-K68 PolarHBondContact OD1-NZ 2.82Å; D65-I69 HydrophobicContact CB-CD1 4.17Å; D65-I69 WeakPolarHBondContact O-CG1 3.22Å; D65-I69 PolarHBondContact O-N 3.27Å
66	Y	94.3	Very high	93.8	Very high	18 Å²	18	68.1 Å²	68.1	7%	0.071	34%	0.34	C	S	.	.	H	α-helix	trans	-53.7	-52.6	177.5	-171.8	-85.5	0	0	0	113.1	V56 H58 L63 K68 I69 I70 P73 F108	V56-Y66 HydrophobicContact CB-CD1 4.29Å; V56-Y66 HydrophobicContact CB-CE1 3.76Å; V56-Y66 HydrophobicContact CB-CE2 4.2Å; V56-Y66 HydrophobicContact CG1-CD1 4.2Å; V56-Y66 HydrophobicContact CG1-CD2 4.07Å; V56-Y66 HydrophobicContact CG1-CE1 4.1Å; V56-Y66 HydrophobicContact CG1-CE2 3.97Å; V56-Y66 HydrophobicContact CG1-CG 4.2Å; V56-Y66 HydrophobicContact CG2-CE1 4.19Å; V56-Y66 HydrophobicContact CG2-CE2 4.09Å; V56-Y66 WeakPolarHBondContact CG2-OH 3.18Å; H58-Y66 HydrophobicContact CB-CD1 4.32Å; H58-Y66 HydrophobicContact CB-CG 4.27Å; L63-Y66 WeakPolarHBondContact O-CB 3.45Å; L63-Y66 PolarHBondContact O-N 2.83Å; L63-Y66 VanDerWaalsContact O-N 3.13Å; Y66-K68 PolarHBondContact O-N 3.18Å; Y66-I69 PolarHBondContact O-N 3.39Å; Y66-I70 HydrophobicContact CD1-CB 4.37Å; Y66-I70 HydrophobicContact CD1-CG1 4.49Å; Y66-I70 HydrophobicContact CD2-CG1 4.18Å; Y66-I70 HydrophobicContact CE1-CB 3.99Å; Y66-I70 HydrophobicContact CE1-CG1 4.13Å; Y66-I70 HydrophobicContact CE1-CG2 4.12Å; Y66-I70 HydrophobicContact CE2-CG1 3.79Å; Y66-I70 HydrophobicContact CG-CG1 4.5Å; Y66-I70 WeakPolarHBondContact O-CB 3.47Å; Y66-I70 PolarHBondContact O-N 3.44Å; Y66-P73 HydrophobicContact CE1-CB 4.43Å; Y66-F108 VanDerWaalsContact CA-CE2 3.48Å; Y66-F108 HydrophobicContact CD2-CB 4.22Å; Y66-F108 AromaticContact CD2-CD1 3.82Å; Y66-F108 HydrophobicContact CD2-CD1 3.82Å; Y66-F108 AromaticContact CD2-CD2 3.57Å; Y66-F108 HydrophobicContact CD2-CD2 3.57Å; Y66-F108 HydrophobicContact CD2-CE1 4.08Å; Y66-F108 AromaticContact CD2-CE2 3.84Å; Y66-F108 HydrophobicContact CD2-CE2 3.84Å; Y66-F108 AromaticContact CD2-CG 3.56Å; Y66-F108 HydrophobicContact CD2-CG 3.56Å; Y66-F108 HydrophobicContact CD2-CZ 4.09Å; Y66-F108 HydrophobicContact CE2-CB 4.13Å; Y66-F108 HydrophobicContact CE2-CD1 4.29Å; Y66-F108 HydrophobicContact CE2-CD2 4.3Å; Y66-F108 AromaticContact CE2-CG 3.96Å; Y66-F108 HydrophobicContact CE2-CG 3.96Å; Y66-F108 HydrophobicContact CG-CD2 4.29Å; Y66-F108 HydrophobicContact CG-CE2 4.28Å
67	P	93.4	Very high	93.8	Very high	67 Å²	67	67.1 Å²	67.1	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-72.6	-5.8	177	32.2	-38.9	0	0	0	114.1
68	K	93.3	Very high	94	Very high	73 Å²	73	66.3 Å²	66.3	32%	0.317	34%	0.336	S	S	.	.	H	α-helix	trans	-87.9	-40.2	174.6	-53.3	178.4	-165.7	159.3	0	110.6	P64 D65 Y66 K71	P64-K68 WeakPolarHBondContact O-CE 3.42Å; D65-K68 HydrophobicContact CB-CD 4.41Å; D65-K68 WeakPolarHBondContact O-CA 3.22Å; D65-K68 WeakPolarHBondContact O-CB 3.31Å; D65-K68 PolarHBondContact O-N 3.02Å; D65-K68 WeakPolarHBondContact OD1-CD 3.22Å; D65-K68 WeakPolarHBondContact OD1-CE 3.32Å; D65-K68 IonicContact OD1-NZ 3.55Å; D65-K68 PolarHBondContact OD1-NZ 2.82Å; Y66-K68 PolarHBondContact O-N 3.18Å; K68-K71 PolarHBondContact O-NZ 3.32Å
69	I	91.4	Very high	94.3	Very high	31 Å²	31	63.5 Å²	63.5	16%	0.159	32%	0.323	C	S	.	.	H	α-helix	trans	-80.3	-56	179.2	-64.3	166.3	0	0	0	110.1	D65 Y66 K71 I107 F108 M616	D65-I69 HydrophobicContact CB-CD1 4.17Å; D65-I69 WeakPolarHBondContact O-CG1 3.22Å; D65-I69 PolarHBondContact O-N 3.27Å; Y66-I69 PolarHBondContact O-N 3.39Å; I69-K71 PolarHBondContact O-N 3.44Å; I69-I107 HydrophobicContact CG2-CG2 3.76Å; I69-F108 HydrophobicContact CB-CD2 4.47Å; I69-F108 HydrophobicContact CD1-CD2 4.03Å; I69-F108 HydrophobicContact CD1-CE2 3.99Å; I69-M616 HydrophobicContact CG1-CE 4.48Å; I69-M616 HydrophobicContact CG1-SD 3.72Å
70	I	94.2	Very high	94.5	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	32%	0.32	C	S	.	.			trans	-84.8	107.7	-175.3	-58	-56.8	0	0	0	110.6	Y66 P73 N104 I107 F108	Y66-I70 HydrophobicContact CD1-CB 4.37Å; Y66-I70 HydrophobicContact CD1-CG1 4.49Å; Y66-I70 HydrophobicContact CD2-CG1 4.18Å; Y66-I70 HydrophobicContact CE1-CB 3.99Å; Y66-I70 HydrophobicContact CE1-CG1 4.13Å; Y66-I70 HydrophobicContact CE1-CG2 4.12Å; Y66-I70 HydrophobicContact CE2-CG1 3.79Å; Y66-I70 HydrophobicContact CG-CG1 4.5Å; Y66-I70 WeakPolarHBondContact O-CB 3.47Å; Y66-I70 PolarHBondContact O-N 3.44Å; I70-P73 HydrophobicContact CG2-CB 4.34Å; I70-N104 HydrophobicContact CD1-CB 4.05Å; I70-N104 HydrophobicContact CG2-CB 4.16Å; I70-I107 HydrophobicContact CD1-CB 3.83Å; I70-I107 HydrophobicContact CD1-CG2 3.53Å; I70-F108 HydrophobicContact CD1-CB 4.28Å; I70-F108 HydrophobicContact CG1-CB 4.33Å
71	K	93.9	Very high	94.7	Very high	141 Å²	141	58.9 Å²	58.9	61%	0.613	31%	0.308	S	S	*	.	S	Bend	trans	-78.7	-32.6	-179.3	-52.5	-52.5	-173.1	-173.4	0	113.8	K68 I69 P73	K68-K71 PolarHBondContact O-NZ 3.32Å; I69-K71 PolarHBondContact O-N 3.44Å; K71-P73 WeakPolarHBondContact O-CD 3.3Å
72	H	92.8	Very high	94.9	Very high	141 Å²	141	57.5 Å²	57.5	65%	0.653	30%	0.296	S	S	*	.	S	Bend	trans	-124.5	72.1	-175.7	-60	-63.4	0	0	0	110.6	M74 T100 N104	H72-M74 PolarHBondContact O-N 2.93Å; H72-T100 HydrophobicContact CB-CG2 4.27Å; H72-N104 PolarHBondContact O-ND2 3.49Å
73	P	96.7	Very high	95.1	Very high	76 Å²	76	52.6 Å²	52.6	49%	0.494	27%	0.27	S	S	.	.			trans	-60.1	135.4	178.8	26.5	-35	0	0	0	110.7	Y66 I70 K71	Y66-P73 HydrophobicContact CE1-CB 4.43Å; I70-P73 HydrophobicContact CG2-CB 4.34Å; K71-P73 WeakPolarHBondContact O-CD 3.3Å
74	M	97.9	Very high	95.3	Very high	19 Å²	19	54.2 Å²	54.2	9%	0.094	28%	0.279	C	S	.	.			trans	-149.3	148.1	-174.2	-168.4	50.7	55.9	0	0	111.3	H72 T78 I79 D97 T100 M101	H72-M74 PolarHBondContact O-N 2.93Å; M74-T78 HydrophobicContact CE-CG2 4.17Å; M74-T78 HydrophobicContact SD-CG2 3.7Å; M74-I79 HydrophobicContact CG-CD1 4.01Å; M74-I79 HydrophobicContact CG-CG1 4.1Å; M74-I79 HydrophobicContact SD-CD1 4.33Å; M74-I79 HydrophobicContact SD-CG1 3.75Å; M74-D97 HydrophobicContact CE-CB 4.38Å; M74-D97 VanDerWaalsContact CE-OD1 3.32Å; M74-D97 WeakPolarHBondContact CE-OD1 3.5Å; M74-D97 HydrophobicContact CG-CB 3.95Å; M74-D97 VanDerWaalsContact CG-O 3.31Å; M74-D97 WeakPolarHBondContact CG-O 3.46Å; M74-D97 HydrophobicContact SD-CB 4.03Å; M74-T100 HydrophobicContact CB-CG2 4.47Å; M74-M101 HydrophobicContact CB-CB 4.28Å; M74-M101 HydrophobicContact CG-CB 4.31Å; M74-M101 WeakPolarHBondContact O-CG 3.35Å
75	D	98.4	Very high	95.4	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	28%	0.283	C	S	.	.			trans	-154	160.5	-176.6	73.1	98.4	0	0	0	111.8	K54 P55 G77 T78 I79	K54-D75 VanDerWaalsContact C-CB 3.46Å; K54-D75 VanDerWaalsContact CA-OD1 3.27Å; K54-D75 WeakPolarHBondContact CA-OD1 3.32Å; K54-D75 WeakPolarHBondContact O-CB 3.44Å; P55-D75 WeakPolarHBondContact CD-OD2 3.39Å; P55-D75 WeakPolarHBondContact CG-OD2 3.33Å; P55-D75 VanDerWaalsContact N-CG 3.34Å; D75-G77 VanDerWaalsContact C-N 3.25Å; D75-G77 PolarHBondContact O-N 2.9Å; D75-G77 WeakPolarHBondContact OD1-CA 3.48Å; D75-G77 PolarHBondContact OD1-N 2.95Å; D75-T78 PolarHBondContact O-N 3.42Å; D75-T78 PolarHBondContact OD1-N 2.96Å; D75-T78 WeakPolarHBondContact OD2-CB 3.47Å; D75-T78 PolarHBondContact OD2-OG1 3.04Å; D75-I79 WeakPolarHBondContact O-CG1 3.46Å; D75-I79 PolarHBondContact O-N 3.37Å
76	L	98.2	Very high	95.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-25.6	-179.2	-65.7	177.2	0	0	0	113.6	L43 F44 V49 F52 I79 K80 L98 M101	L43-L76 HydrophobicContact CB-CD1 3.8Å; L43-L76 HydrophobicContact CD1-CD1 4.31Å; L43-L76 HydrophobicContact CD1-CD2 3.89Å; F44-L76 HydrophobicContact CD2-CB 4.35Å; F44-L76 HydrophobicContact CE2-CB 3.59Å; F44-L76 WeakPolarHBondContact CE2-O 3.48Å; F44-L76 HydrophobicContact CZ-CB 3.75Å; V49-L76 HydrophobicContact CG2-CD1 3.38Å; F52-L76 HydrophobicContact CB-CD1 4.47Å; F52-L76 WeakPolarHBondContact O-CB 3.47Å; F52-L76 PolarHBondContact O-N 2.78Å; L76-I79 HydrophobicContact CD2-CD1 4.35Å; L76-K80 WeakPolarHBondContact O-CB 3.45Å; L76-K80 PolarHBondContact O-N 2.83Å; L76-L98 HydrophobicContact CD2-CD1 3.68Å; L76-M101 HydrophobicContact CD2-CE 3.83Å; L76-M101 HydrophobicContact CD2-SD 3.87Å; L76-M101 HydrophobicContact CG-CE 3.96Å; L76-M101 HydrophobicContact CG-SD 3.63Å
77	G	97.5	Very high	95.4	Very high	24 Å²	24	60.2 Å²	60.2	25%	0.247	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-49.4	173.4	0	0	0	0	0	111.1	T53 D75 K80 Q81	T53-G77 PolarHBondContact O-N 3.04Å; D75-G77 VanDerWaalsContact C-N 3.25Å; D75-G77 PolarHBondContact O-N 2.9Å; D75-G77 WeakPolarHBondContact OD1-CA 3.48Å; D75-G77 PolarHBondContact OD1-N 2.95Å; G77-K80 PolarHBondContact O-N 2.95Å; G77-Q81 WeakPolarHBondContact O-CB 3.38Å; G77-Q81 PolarHBondContact O-N 2.94Å
78	T	98.1	Very high	95.4	Very high	41 Å²	41	57.3 Å²	57.3	25%	0.252	28%	0.28	S	S	.	.	H	α-helix	trans	-59.9	-47.8	173.6	-64.3	0	0	0	0	111.8	M74 D75 K80 Q81 R82	M74-T78 HydrophobicContact CE-CG2 4.17Å; M74-T78 HydrophobicContact SD-CG2 3.7Å; D75-T78 PolarHBondContact O-N 3.42Å; D75-T78 PolarHBondContact OD1-N 2.96Å; D75-T78 WeakPolarHBondContact OD2-CB 3.47Å; D75-T78 PolarHBondContact OD2-OG1 3.04Å; T78-K80 PolarHBondContact O-N 2.97Å; T78-Q81 PolarHBondContact O-N 2.99Å; T78-R82 HydrophobicContact CG2-CG 4.45Å; T78-R82 WeakPolarHBondContact O-CG 3.26Å; T78-R82 PolarHBondContact O-N 3.16Å
79	I	98.2	Very high	95.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-46.5	178.5	-65.3	162.1	0	0	0	111.2	V40 M74 D75 L76 Q81 R82 L83 Y88 D97 L98	V40-I79 HydrophobicContact CG2-CG2 4.07Å; M74-I79 HydrophobicContact CG-CD1 4.01Å; M74-I79 HydrophobicContact CG-CG1 4.1Å; M74-I79 HydrophobicContact SD-CD1 4.33Å; M74-I79 HydrophobicContact SD-CG1 3.75Å; D75-I79 WeakPolarHBondContact O-CG1 3.46Å; D75-I79 PolarHBondContact O-N 3.37Å; L76-I79 HydrophobicContact CD2-CD1 4.35Å; I79-Q81 VanDerWaalsContact C-N 3.28Å; I79-Q81 PolarHBondContact O-N 3.46Å; I79-R82 PolarHBondContact O-N 3.11Å; I79-L83 HydrophobicContact CG2-CD1 4.01Å; I79-L83 WeakPolarHBondContact O-CB 3.47Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 2.59Å; I79-Y88 HydrophobicContact CG2-CE2 4.48Å; I79-D97 HydrophobicContact CD1-CB 4.24Å; I79-D97 HydrophobicContact CG1-CB 3.93Å; I79-L98 HydrophobicContact CD1-CB 4.24Å; I79-L98 HydrophobicContact CD1-CD1 4.19Å
80	K	97.5	Very high	95.4	Very high	96 Å²	96	58.9 Å²	58.9	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-36.9	176.6	-179.9	175.9	174.6	-176.1	0	112	V40 F44 L76 G77 T78 N84	V40-K80 HydrophobicContact CG1-CB 4.13Å; F44-K80 HydrophobicContact CD2-CD 4.04Å; F44-K80 HydrophobicContact CE2-CB 4.05Å; F44-K80 HydrophobicContact CE2-CD 3.5Å; F44-K80 VanDerWaalsContact CE2-CD 3.5Å; F44-K80 HydrophobicContact CE2-CG 4.41Å; F44-K80 HydrophobicContact CZ-CD 3.95Å; L76-K80 WeakPolarHBondContact O-CB 3.45Å; L76-K80 PolarHBondContact O-N 2.83Å; G77-K80 PolarHBondContact O-N 2.95Å; T78-K80 PolarHBondContact O-N 2.97Å; K80-N84 WeakPolarHBondContact O-CB 3.07Å; K80-N84 PolarHBondContact O-N 3.48Å; K80-N84 PolarHBondContact O-ND2 3.4Å
81	Q	96.7	Very high	95.4	Very high	100 Å²	100	59.2 Å²	59.2	47%	0.467	29%	0.294	S	S	.	.	H	α-helix	trans	-71	-42.1	175.7	-172.9	63.6	-0.3	0	0	111.9	G77 T78 I79 L83 N84 L85	G77-Q81 WeakPolarHBondContact O-CB 3.38Å; G77-Q81 PolarHBondContact O-N 2.94Å; T78-Q81 PolarHBondContact O-N 2.99Å; I79-Q81 VanDerWaalsContact C-N 3.28Å; I79-Q81 PolarHBondContact O-N 3.46Å; Q81-L83 PolarHBondContact O-N 2.81Å; Q81-N84 PolarHBondContact O-N 3.44Å; Q81-N84 VanDerWaalsContact O-N 3.16Å; Q81-L85 HydrophobicContact CG-CD1 3.98Å; Q81-L85 HydrophobicContact CG-CG 4.38Å; Q81-L85 WeakPolarHBondContact O-CB 3.35Å; Q81-L85 WeakPolarHBondContact O-CG 3.28Å; Q81-L85 PolarHBondContact O-N 3.44Å
82	R	97.1	Very high	95.5	Very high	71 Å²	71	55.7 Å²	55.7	27%	0.268	29%	0.287	S	S	.	.	H	α-helix	trans	-58.5	-44.1	173	-74.7	177.8	177.2	-161.8	-2.1	111.6	T78 I79 N84 L85 K86 F87 Y88 D97	T78-R82 HydrophobicContact CG2-CG 4.45Å; T78-R82 WeakPolarHBondContact O-CG 3.26Å; T78-R82 PolarHBondContact O-N 3.16Å; I79-R82 PolarHBondContact O-N 3.11Å; R82-N84 PolarHBondContact O-N 2.9Å; R82-L85 PolarHBondContact O-N 2.86Å; R82-K86 PolarHBondContact O-N 3.07Å; R82-K86 VanDerWaalsContact O-N 3.1Å; R82-F87 HydrophobicContact CB-CB 3.83Å; R82-F87 HydrophobicContact CB-CD1 4.02Å; R82-F87 HydrophobicContact CB-CG 4.16Å; R82-F87 HydrophobicContact CG-CB 4.1Å; R82-F87 HydrophobicContact CG-CD1 3.74Å; R82-F87 HydrophobicContact CG-CE1 4.34Å; R82-F87 HydrophobicContact CG-CG 3.93Å; R82-F87 WeakPolarHBondContact O-CB 3.44Å; R82-F87 PolarHBondContact O-N 3.38Å; R82-Y88 HydrophobicContact CB-CD2 4.07Å; R82-Y88 HydrophobicContact CB-CE1 4.33Å; R82-Y88 HydrophobicContact CB-CE2 3.34Å; R82-Y88 VanDerWaalsContact CD-OH 3.23Å; R82-Y88 WeakPolarHBondContact CD-OH 3.47Å; R82-Y88 HydrophobicContact CG-CE2 4.47Å; R82-D97 WeakPolarHBondContact CD-OD2 3.5Å; R82-D97 IonicContact CZ-OD2 2.91Å; R82-D97 IonicContact NE-OD2 3.37Å; R82-D97 VanDerWaalsContact NH1-CG 3.31Å; R82-D97 IonicContact NH1-OD1 3.22Å; R82-D97 PolarHBondContact NH1-OD1 3.13Å; R82-D97 IonicContact NH1-OD2 2.68Å; R82-D97 PolarHBondContact NH1-OD2 2.77Å
83	L	95.6	Very high	95.7	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-34.7	173.2	-77.6	164	0	0	0	114.1	L32 I35 K36 V40 I79 Q81 Y88	L32-L83 HydrophobicContact CB-CD2 4.22Å; L32-L83 HydrophobicContact CD2-CD2 3.74Å; I35-L83 HydrophobicContact CG2-CD1 4.39Å; K36-L83 HydrophobicContact CB-CB 4.43Å; K36-L83 HydrophobicContact CB-CD1 3.96Å; K36-L83 HydrophobicContact CB-CD2 4.27Å; K36-L83 HydrophobicContact CB-CG 4.46Å; K36-L83 HydrophobicContact CD-CB 4.26Å; K36-L83 HydrophobicContact CG-CB 4.26Å; K36-L83 HydrophobicContact CG-CD1 4.44Å; V40-L83 HydrophobicContact CG2-CD1 4.09Å; I79-L83 HydrophobicContact CG2-CD1 4.01Å; I79-L83 WeakPolarHBondContact O-CB 3.47Å; I79-L83 WeakPolarHBondContact O-CG 3.42Å; I79-L83 PolarHBondContact O-N 2.59Å; Q81-L83 PolarHBondContact O-N 2.81Å; L83-Y88 HydrophobicContact CD2-CD2 3.9Å; L83-Y88 HydrophobicContact CD2-CE2 4.28Å; L83-Y88 HydrophobicContact CG-CD2 3.96Å; L83-Y88 HydrophobicContact CG-CE2 3.87Å
84	N	93.8	Very high	95.7	Very high	83 Å²	83	48.9 Å²	48.9	44%	0.444	25%	0.249	S	C	.	.	H	α-helix	trans	-74.8	-37.3	176.6	-75.7	-23.4	0	0	0	112.6	K36 K80 Q81 R82 K86	K36-N84 WeakPolarHBondContact CE-OD1 3.28Å; K80-N84 WeakPolarHBondContact O-CB 3.07Å; K80-N84 PolarHBondContact O-N 3.48Å; K80-N84 PolarHBondContact O-ND2 3.4Å; Q81-N84 PolarHBondContact O-N 3.44Å; Q81-N84 VanDerWaalsContact O-N 3.16Å; R82-N84 PolarHBondContact O-N 2.9Å; N84-K86 PolarHBondContact O-N 2.89Å
85	L	93.2	Very high	95.7	Very high	107 Å²	107	49.4 Å²	49.4	56%	0.56	25%	0.252	S	S	*	.	H	α-helix	trans	-77.5	-9	177.8	-67.9	176.3	0	0	0	113.4	Q81 R82	Q81-L85 HydrophobicContact CG-CD1 3.98Å; Q81-L85 HydrophobicContact CG-CG 4.38Å; Q81-L85 WeakPolarHBondContact O-CB 3.35Å; Q81-L85 WeakPolarHBondContact O-CG 3.28Å; Q81-L85 PolarHBondContact O-N 3.44Å; R82-L85 PolarHBondContact O-N 2.86Å
86	K	91.8	Very high	95.6	Very high	65 Å²	65	53 Å²	53	28%	0.283	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	50.7	-170.8	-61.7	176.6	155.4	-150	0	111.9	K26 I27 R82 N84	K26-K86 HydrophobicContact CB-CB 4.17Å; K26-K86 HydrophobicContact CB-CD 3.77Å; K26-K86 VanDerWaalsContact O-CD 3.31Å; K26-K86 WeakPolarHBondContact O-CD 3.41Å; K26-K86 PolarHBondContact O-NZ 2.89Å; I27-K86 WeakPolarHBondContact O-CD 3.34Å; R82-K86 PolarHBondContact O-N 3.07Å; R82-K86 VanDerWaalsContact O-N 3.1Å; N84-K86 PolarHBondContact O-N 2.89Å
87	F	92.6	Very high	95.6	Very high	113 Å²	113	54 Å²	54	50%	0.496	28%	0.277	S	S	.	.			trans	-79	-31.9	178.8	178.2	-92.1	0	0	0	112.7	R82	R82-F87 HydrophobicContact CB-CB 3.83Å; R82-F87 HydrophobicContact CB-CD1 4.02Å; R82-F87 HydrophobicContact CB-CG 4.16Å; R82-F87 HydrophobicContact CG-CB 4.1Å; R82-F87 HydrophobicContact CG-CD1 3.74Å; R82-F87 HydrophobicContact CG-CE1 4.34Å; R82-F87 HydrophobicContact CG-CG 3.93Å; R82-F87 WeakPolarHBondContact O-CB 3.44Å; R82-F87 PolarHBondContact O-N 3.38Å
88	Y	94.6	Very high	95.6	Very high	6 Å²	6	52.9 Å²	52.9	2%	0.024	27%	0.265	C	S	.	.			trans	-86.4	138.5	178.3	-54.1	-66.7	0	0	0	111.6	L32 I79 R82 L83 E93 C94 D97	L32-Y88 WeakPolarHBondContact CD1-O 3.21Å; L32-Y88 HydrophobicContact CD2-CD2 4.24Å; L32-Y88 HydrophobicContact CD2-CG 4.3Å; I79-Y88 HydrophobicContact CG2-CE2 4.48Å; R82-Y88 HydrophobicContact CB-CD2 4.07Å; R82-Y88 HydrophobicContact CB-CE1 4.33Å; R82-Y88 HydrophobicContact CB-CE2 3.34Å; R82-Y88 VanDerWaalsContact CD-OH 3.23Å; R82-Y88 WeakPolarHBondContact CD-OH 3.47Å; R82-Y88 HydrophobicContact CG-CE2 4.47Å; L83-Y88 HydrophobicContact CD2-CD2 3.9Å; L83-Y88 HydrophobicContact CD2-CE2 4.28Å; L83-Y88 HydrophobicContact CG-CD2 3.96Å; L83-Y88 HydrophobicContact CG-CE2 3.87Å; Y88-E93 VanDerWaalsContact CA-OE2 3.24Å; Y88-E93 WeakPolarHBondContact CA-OE2 3.49Å; Y88-E93 HydrophobicContact CD1-CB 3.69Å; Y88-E93 HydrophobicContact CE1-CB 4.44Å; Y88-E93 WeakPolarHBondContact CE1-O 3.44Å; Y88-E93 HydrophobicContact CG-CB 4.48Å; Y88-C94 HydrophobicContact CD1-CB 4.12Å; Y88-C94 HydrophobicContact CD2-CB 3.69Å; Y88-C94 HydrophobicContact CE1-CB 4.24Å; Y88-C94 HydrophobicContact CE2-CB 3.83Å; Y88-C94 VanDerWaalsContact CE2-SG 3.55Å; Y88-C94 HydrophobicContact CG-CB 3.83Å; Y88-D97 WeakPolarHBondContact CE1-OD2 3.41Å; Y88-D97 VanDerWaalsContact CZ-OD2 3.24Å; Y88-D97 PolarHBondContact OH-OD2 3.43Å
89	H	90.1	Very high	95.6	Very high	101 Å²	101	52.6 Å²	52.6	47%	0.468	26%	0.26	S	S	.	.	S	Bend	trans	-92.5	-28.5	176.6	-49.5	88.2	0	0	0	112.2	E93	H89-E93 IonicContact CG-OE1 3.71Å; H89-E93 IonicContact CG-OE2 3.84Å; H89-E93 PolarHBondContact N-OE2 2.66Å; H89-E93 IonicContact ND1-OE1 2.92Å; H89-E93 PolarHBondContact ND1-OE1 2.9Å; H89-E93 IonicContact ND1-OE2 2.71Å; H89-E93 PolarHBondContact ND1-OE2 3.19Å
90	S	94	Very high	95.5	Very high	35 Å²	35	53.9 Å²	53.9	25%	0.245	27%	0.268	C	S	.	.	S	Bend	trans	-139.5	164.3	179.3	66.6	0	0	0	0	111.9	S92	S90-S92 PolarHBondContact O-N 3.14Å
91	S	95.3	Very high	95.5	Very high	13 Å²	13	49.5 Å²	49.5	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-34.4	175.4	71.5	0	0	0	0	112.6	Q31 E93 C94 L95 E137	Q31-S91 PolarHBondContact OE1-OG 3.01Å; S91-E93 PolarHBondContact O-N 3.31Å; S91-C94 PolarHBondContact O-N 3.31Å; S91-C94 VanDerWaalsContact O-N 3.14Å; S91-L95 WeakPolarHBondContact O-CG 3.38Å; S91-L95 PolarHBondContact O-N 3.4Å; S91-E137 WeakPolarHBondContact CB-OE1 3.47Å; S91-E137 PolarHBondContact N-OE1 3.39Å; S91-E137 PolarHBondContact N-OE2 3.17Å; S91-E137 VanDerWaalsContact N-OE2 3.11Å; S91-E137 PolarHBondContact OG-OE2 3.38Å
92	S	95.1	Very high	95.5	Very high	66 Å²	66	44.8 Å²	44.8	46%	0.462	23%	0.227	S	C	.	.	H	α-helix	trans	-56.7	-51.1	-179.4	-162	0	0	0	0	111.5	S90 C94 L95 D96	S90-S92 PolarHBondContact O-N 3.14Å; S92-C94 PolarHBondContact O-N 2.75Å; S92-L95 CarbonylContact O-C 3.53Å; S92-L95 WeakPolarHBondContact O-CA 3.32Å; S92-L95 PolarHBondContact O-N 3.48Å; S92-D96 PolarHBondContact O-N 3.08Å; S92-D96 PolarHBondContact OG-OD2 2.68Å
93	E	96.5	Very high	95.4	Very high	74 Å²	74	46.4 Å²	46.4	35%	0.346	23%	0.233	S	C	.	.	H	α-helix	trans	-57	-36.5	179.4	-60.7	175.3	170.2	0	0	112.3	Y88 H89 S91 D97	Y88-E93 VanDerWaalsContact CA-OE2 3.24Å; Y88-E93 WeakPolarHBondContact CA-OE2 3.49Å; Y88-E93 HydrophobicContact CD1-CB 3.69Å; Y88-E93 HydrophobicContact CE1-CB 4.44Å; Y88-E93 WeakPolarHBondContact CE1-O 3.44Å; Y88-E93 HydrophobicContact CG-CB 4.48Å; H89-E93 IonicContact CG-OE1 3.71Å; H89-E93 IonicContact CG-OE2 3.84Å; H89-E93 PolarHBondContact N-OE2 2.66Å; H89-E93 IonicContact ND1-OE1 2.92Å; H89-E93 PolarHBondContact ND1-OE1 2.9Å; H89-E93 IonicContact ND1-OE2 2.71Å; H89-E93 PolarHBondContact ND1-OE2 3.19Å; S91-E93 PolarHBondContact O-N 3.31Å; E93-D97 PolarHBondContact O-N 2.93Å
94	C	97.5	Very high	95.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-76.2	-31.3	177.4	-172	0	0	0	0	112.8	L32 Y88 S91 S92 L98	L32-C94 HydrophobicContact CD2-CB 3.65Å; Y88-C94 HydrophobicContact CD1-CB 4.12Å; Y88-C94 HydrophobicContact CD2-CB 3.69Å; Y88-C94 HydrophobicContact CE1-CB 4.24Å; Y88-C94 HydrophobicContact CE2-CB 3.83Å; Y88-C94 VanDerWaalsContact CE2-SG 3.55Å; Y88-C94 HydrophobicContact CG-CB 3.83Å; S91-C94 PolarHBondContact O-N 3.31Å; S91-C94 VanDerWaalsContact O-N 3.14Å; S92-C94 PolarHBondContact O-N 2.75Å; C94-L98 WeakPolarHBondContact O-CB 3.38Å; C94-L98 PolarHBondContact O-N 3.14Å; C94-L98 VanDerWaalsContact O-N 3.17Å
95	L	97.5	Very high	95.6	Very high	31 Å²	31	43 Å²	43	16%	0.162	22%	0.216	C	C	.	.	H	α-helix	trans	-74.7	-36.1	174.7	-68.5	175.9	0	0	0	111.4	I35 S91 S92 L98 F99 L130 M133	I35-L95 HydrophobicContact CD1-CD1 4.47Å; I35-L95 HydrophobicContact CD1-CD2 3.88Å; I35-L95 HydrophobicContact CD1-CG 3.94Å; I35-L95 HydrophobicContact CG1-CD2 4.4Å; S91-L95 WeakPolarHBondContact O-CG 3.38Å; S91-L95 PolarHBondContact O-N 3.4Å; S92-L95 CarbonylContact O-C 3.53Å; S92-L95 WeakPolarHBondContact O-CA 3.32Å; S92-L95 PolarHBondContact O-N 3.48Å; L95-L98 HydrophobicContact CD2-CD2 4.23Å; L95-L98 PolarHBondContact O-N 3.1Å; L95-F99 HydrophobicContact CB-CD2 4.33Å; L95-F99 HydrophobicContact CB-CE2 4.34Å; L95-F99 HydrophobicContact CD2-CE2 4.27Å; L95-F99 WeakPolarHBondContact O-CD2 3.43Å; L95-F99 PolarHBondContact O-N 3.1Å; L95-L130 HydrophobicContact CD2-CD1 3.73Å; L95-L130 HydrophobicContact CD2-CD2 3.71Å; L95-L130 HydrophobicContact CD2-CG 4.39Å; L95-M133 HydrophobicContact CD1-CE 4.36Å
96	D	96.3	Very high	95.7	Very high	78 Å²	78	40.1 Å²	40.1	42%	0.417	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-44.2	175.5	-80.4	-54.1	0	0	0	111.7	S92 T100 R103	S92-D96 PolarHBondContact O-N 3.08Å; S92-D96 PolarHBondContact OG-OD2 2.68Å; D96-T100 WeakPolarHBondContact O-CB 3.38Å; D96-T100 PolarHBondContact O-N 2.94Å; D96-T100 PolarHBondContact O-OG1 3.48Å; D96-R103 PolarHBondContact O-NH2 3.43Å
97	D	97.9	Very high	95.7	Very high	24 Å²	24	39.8 Å²	39.8	13%	0.128	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-45.6	169.7	-86	-14.7	0	0	0	111.7	M74 I79 R82 Y88 E93 F99 T100 M101	M74-D97 HydrophobicContact CE-CB 4.38Å; M74-D97 VanDerWaalsContact CE-OD1 3.32Å; M74-D97 WeakPolarHBondContact CE-OD1 3.5Å; M74-D97 HydrophobicContact CG-CB 3.95Å; M74-D97 VanDerWaalsContact CG-O 3.31Å; M74-D97 WeakPolarHBondContact CG-O 3.46Å; M74-D97 HydrophobicContact SD-CB 4.03Å; I79-D97 HydrophobicContact CD1-CB 4.24Å; I79-D97 HydrophobicContact CG1-CB 3.93Å; R82-D97 WeakPolarHBondContact CD-OD2 3.5Å; R82-D97 IonicContact CZ-OD2 2.91Å; R82-D97 IonicContact NE-OD2 3.37Å; R82-D97 VanDerWaalsContact NH1-CG 3.31Å; R82-D97 IonicContact NH1-OD1 3.22Å; R82-D97 PolarHBondContact NH1-OD1 3.13Å; R82-D97 IonicContact NH1-OD2 2.68Å; R82-D97 PolarHBondContact NH1-OD2 2.77Å; Y88-D97 WeakPolarHBondContact CE1-OD2 3.41Å; Y88-D97 VanDerWaalsContact CZ-OD2 3.24Å; Y88-D97 PolarHBondContact OH-OD2 3.43Å; E93-D97 PolarHBondContact O-N 2.93Å; D97-F99 PolarHBondContact O-N 3.31Å; D97-T100 PolarHBondContact O-N 3.18Å; D97-M101 PolarHBondContact O-N 3.38Å
98	L	98	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-43.2	-177.5	-179	63.4	0	0	0	112.7	V39 L43 L76 I79 C94 L95 M101 F102 A126	V39-L98 HydrophobicContact CG1-CD2 3.93Å; L43-L98 HydrophobicContact CD1-CD1 3.99Å; L76-L98 HydrophobicContact CD2-CD1 3.68Å; I79-L98 HydrophobicContact CD1-CB 4.24Å; I79-L98 HydrophobicContact CD1-CD1 4.19Å; C94-L98 WeakPolarHBondContact O-CB 3.38Å; C94-L98 PolarHBondContact O-N 3.14Å; C94-L98 VanDerWaalsContact O-N 3.17Å; L95-L98 HydrophobicContact CD2-CD2 4.23Å; L95-L98 PolarHBondContact O-N 3.1Å; L98-M101 HydrophobicContact CD1-CE 4.2Å; L98-F102 HydrophobicContact CD1-CE2 4.21Å; L98-F102 HydrophobicContact CG-CE2 4.32Å; L98-F102 VanDerWaalsContact O-CD2 3.25Å; L98-F102 WeakPolarHBondContact O-CD2 3.41Å; L98-A126 HydrophobicContact CD2-CB 4.49Å
99	F	97.5	Very high	95.7	Very high	34 Å²	34	38.1 Å²	38.1	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-79.7	-25	175.3	-67.9	-64.4	0	0	0	112.4	L95 D97 M101 F102 R103 E123 R127 L130	L95-F99 HydrophobicContact CB-CD2 4.33Å; L95-F99 HydrophobicContact CB-CE2 4.34Å; L95-F99 HydrophobicContact CD2-CE2 4.27Å; L95-F99 WeakPolarHBondContact O-CD2 3.43Å; L95-F99 PolarHBondContact O-N 3.1Å; D97-F99 PolarHBondContact O-N 3.31Å; F99-M101 VanDerWaalsContact C-N 3.33Å; F99-M101 PolarHBondContact O-N 2.85Å; F99-F102 HydrophobicContact CD1-CD2 4.12Å; F99-F102 PolarHBondContact O-N 3.27Å; F99-R103 WeakPolarHBondContact O-CB 3.48Å; F99-R103 VanDerWaalsContact O-CG 3.29Å; F99-R103 WeakPolarHBondContact O-CG 3.46Å; F99-R103 PolarHBondContact O-N 2.92Å; F99-E123 HydrophobicContact CD1-CG 4.3Å; F99-E123 HydrophobicContact CE1-CG 4.03Å; F99-R127 HydrophobicContact CE1-CG 4.1Å; F99-R127 HydrophobicContact CZ-CG 4.19Å; F99-L130 HydrophobicContact CE2-CD1 4.22Å; F99-L130 HydrophobicContact CZ-CD1 3.91Å
100	T	96.9	Very high	95.5	Very high	27 Å²	27	39 Å²	39	17%	0.166	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-38.3	169.6	-63.1	0	0	0	0	111.9	H72 M74 D96 D97 F102 R103 N104	H72-T100 HydrophobicContact CB-CG2 4.27Å; M74-T100 HydrophobicContact CB-CG2 4.47Å; D96-T100 WeakPolarHBondContact O-CB 3.38Å; D96-T100 PolarHBondContact O-N 2.94Å; D96-T100 PolarHBondContact O-OG1 3.48Å; D97-T100 PolarHBondContact O-N 3.18Å; T100-F102 VanDerWaalsContact C-N 3.34Å; T100-F102 PolarHBondContact O-N 3.49Å; T100-R103 PolarHBondContact O-N 3.42Å; T100-R103 PolarHBondContact OG1-NH2 3.03Å; T100-N104 VanDerWaalsContact O-CB 3.29Å; T100-N104 WeakPolarHBondContact O-CB 3.25Å; T100-N104 PolarHBondContact O-N 2.9Å; T100-N104 PolarHBondContact O-ND2 3.46Å
101	M	97.5	Very high	95.2	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-43.9	172	180	-169.4	76.4	0	0	112.8	F52 M74 L76 D97 L98 F99 C105	F52-M101 HydrophobicContact CB-CE 4.28Å; F52-M101 HydrophobicContact CB-SD 3.85Å; F52-M101 HydrophobicContact CD1-CE 4.39Å; F52-M101 HydrophobicContact CD1-CG 4.11Å; F52-M101 HydrophobicContact CD1-SD 4.28Å; F52-M101 HydrophobicContact CG-SD 4.47Å; M74-M101 HydrophobicContact CB-CB 4.28Å; M74-M101 HydrophobicContact CG-CB 4.31Å; M74-M101 WeakPolarHBondContact O-CG 3.35Å; L76-M101 HydrophobicContact CD2-CE 3.83Å; L76-M101 HydrophobicContact CD2-SD 3.87Å; L76-M101 HydrophobicContact CG-CE 3.96Å; L76-M101 HydrophobicContact CG-SD 3.63Å; D97-M101 PolarHBondContact O-N 3.38Å; L98-M101 HydrophobicContact CD1-CE 4.2Å; F99-M101 VanDerWaalsContact C-N 3.33Å; F99-M101 PolarHBondContact O-N 2.85Å; M101-C105 PolarHBondContact O-N 3.28Å
102	F	97.1	Very high	94.6	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-71.3	-46.1	176.5	-63.5	-58.6	0	0	0	112	L98 F99 T100 N104 C105 Y106 A119 L122 E123 A126	L98-F102 HydrophobicContact CD1-CE2 4.21Å; L98-F102 HydrophobicContact CG-CE2 4.32Å; L98-F102 VanDerWaalsContact O-CD2 3.25Å; L98-F102 WeakPolarHBondContact O-CD2 3.41Å; F99-F102 HydrophobicContact CD1-CD2 4.12Å; F99-F102 PolarHBondContact O-N 3.27Å; T100-F102 VanDerWaalsContact C-N 3.34Å; T100-F102 PolarHBondContact O-N 3.49Å; F102-N104 VanDerWaalsContact C-N 3.3Å; F102-N104 PolarHBondContact O-N 3.21Å; F102-C105 WeakPolarHBondContact O-CA 3.47Å; F102-C105 VanDerWaalsContact O-CB 3.23Å; F102-C105 WeakPolarHBondContact O-CB 3.27Å; F102-C105 PolarHBondContact O-N 3.03Å; F102-Y106 HydrophobicContact CB-CE2 4.04Å; F102-Y106 VanDerWaalsContact O-CD2 3.27Å; F102-Y106 WeakPolarHBondContact O-CD2 3.35Å; F102-Y106 PolarHBondContact O-N 3.18Å; F102-Y106 VanDerWaalsContact O-N 3.14Å; F102-A119 HydrophobicContact CD1-CB 4.1Å; F102-L122 HydrophobicContact CE1-CB 3.67Å; F102-L122 HydrophobicContact CZ-CB 3.92Å; F102-E123 HydrophobicContact CD1-CB 4.07Å; F102-E123 HydrophobicContact CD2-CB 3.92Å; F102-E123 HydrophobicContact CD2-CG 3.75Å; F102-E123 HydrophobicContact CE1-CB 4.11Å; F102-E123 HydrophobicContact CE2-CB 3.95Å; F102-E123 HydrophobicContact CE2-CG 4.04Å; F102-E123 HydrophobicContact CG-CB 3.98Å; F102-E123 HydrophobicContact CG-CG 4.1Å; F102-E123 HydrophobicContact CZ-CB 4.05Å; F102-A126 HydrophobicContact CE2-CB 4.45Å
103	R	95.2	Very high	94.3	Very high	105 Å²	105	44 Å²	44	40%	0.396	24%	0.236	S	C	.	.	H	α-helix	trans	-53.3	-46.1	174.1	-72.3	-178.7	-69.7	-143.6	3.3	111.4	D96 F99 T100 C105 Y106 I107	D96-R103 PolarHBondContact O-NH2 3.43Å; F99-R103 WeakPolarHBondContact O-CB 3.48Å; F99-R103 VanDerWaalsContact O-CG 3.29Å; F99-R103 WeakPolarHBondContact O-CG 3.46Å; F99-R103 PolarHBondContact O-N 2.92Å; T100-R103 PolarHBondContact O-N 3.42Å; T100-R103 PolarHBondContact OG1-NH2 3.03Å; R103-C105 VanDerWaalsContact C-N 3.27Å; R103-C105 PolarHBondContact O-N 3.01Å; R103-Y106 PolarHBondContact O-N 2.82Å; R103-I107 HydrophobicContact CB-CD1 4.36Å; R103-I107 WeakPolarHBondContact O-CB 3.44Å; R103-I107 WeakPolarHBondContact O-CD1 3.4Å; R103-I107 WeakPolarHBondContact O-CG1 3.42Å; R103-I107 PolarHBondContact O-N 3.14Å
104	N	96.2	Very high	94.2	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.053	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-33.7	175.9	-71.5	-21.9	0	0	0	113.4	I70 H72 T100 F102 F108	I70-N104 HydrophobicContact CD1-CB 4.05Å; I70-N104 HydrophobicContact CG2-CB 4.16Å; H72-N104 PolarHBondContact O-ND2 3.49Å; T100-N104 VanDerWaalsContact O-CB 3.29Å; T100-N104 WeakPolarHBondContact O-CB 3.25Å; T100-N104 PolarHBondContact O-N 2.9Å; T100-N104 PolarHBondContact O-ND2 3.46Å; F102-N104 VanDerWaalsContact C-N 3.3Å; F102-N104 PolarHBondContact O-N 3.21Å; N104-F108 PolarHBondContact O-N 3.33Å
105	C	96.2	Very high	94	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.054	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-49.4	175.5	-168.7	0	0	0	0	110.7	F52 M101 F102 R103 I107 F108 N109 A119	F52-C105 HydrophobicContact CE1-CB 4Å; M101-C105 PolarHBondContact O-N 3.28Å; F102-C105 WeakPolarHBondContact O-CA 3.47Å; F102-C105 VanDerWaalsContact O-CB 3.23Å; F102-C105 WeakPolarHBondContact O-CB 3.27Å; F102-C105 PolarHBondContact O-N 3.03Å; R103-C105 VanDerWaalsContact C-N 3.27Å; R103-C105 PolarHBondContact O-N 3.01Å; C105-I107 VanDerWaalsContact C-N 3.33Å; C105-I107 PolarHBondContact O-N 3Å; C105-F108 PolarHBondContact O-N 2.82Å; C105-N109 WeakPolarHBondContact O-CB 3.45Å; C105-N109 PolarHBondContact O-N 2.84Å; C105-N109 VanDerWaalsContact O-N 3.08Å; C105-N109 PolarHBondContact O-ND2 3.42Å; C105-A119 HydrophobicContact CB-CB 4.05Å
106	Y	95.6	Very high	93.9	Very high	46 Å²	46	47.3 Å²	47.3	18%	0.18	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-39.1	177.8	-49.7	-41.4	0	0	0	111.3	F102 R103 F108 V116 A119 M120 E123 L623	F102-Y106 HydrophobicContact CB-CE2 4.04Å; F102-Y106 VanDerWaalsContact O-CD2 3.27Å; F102-Y106 WeakPolarHBondContact O-CD2 3.35Å; F102-Y106 PolarHBondContact O-N 3.18Å; F102-Y106 VanDerWaalsContact O-N 3.14Å; R103-Y106 PolarHBondContact O-N 2.82Å; Y106-F108 VanDerWaalsContact C-N 3.33Å; Y106-F108 PolarHBondContact O-N 3.24Å; Y106-V116 HydrophobicContact CD1-CG1 3.98Å; Y106-V116 HydrophobicContact CE1-CG1 4.11Å; Y106-A119 HydrophobicContact CE1-CB 3.7Å; Y106-M120 HydrophobicContact CE1-CG 3.95Å; Y106-M120 WeakPolarHBondContact OH-CA 3.49Å; Y106-M120 PolarHBondContact OH-N 3.39Å; Y106-E123 VanDerWaalsContact CE2-OE2 3.3Å; Y106-E123 WeakPolarHBondContact CE2-OE2 3.39Å; Y106-E123 PolarHBondContact OH-OE2 2.83Å; Y106-L623 WeakPolarHBondContact O-CD2 3.38Å
107	I	92.3	Very high	93.8	Very high	58 Å²	58	46.4 Å²	46.4	30%	0.297	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-33.2	-179.5	-69.3	162.2	0	0	0	113.3	I69 I70 R103 C105 L623	I69-I107 HydrophobicContact CG2-CG2 3.76Å; I70-I107 HydrophobicContact CD1-CB 3.83Å; I70-I107 HydrophobicContact CD1-CG2 3.53Å; R103-I107 HydrophobicContact CB-CD1 4.36Å; R103-I107 WeakPolarHBondContact O-CB 3.44Å; R103-I107 WeakPolarHBondContact O-CD1 3.4Å; R103-I107 WeakPolarHBondContact O-CG1 3.42Å; R103-I107 PolarHBondContact O-N 3.14Å; C105-I107 VanDerWaalsContact C-N 3.33Å; C105-I107 PolarHBondContact O-N 3Å; I107-L623 HydrophobicContact CB-CD1 4.03Å; I107-L623 HydrophobicContact CB-CD2 4.45Å; I107-L623 HydrophobicContact CG1-CD1 4.05Å; I107-L623 HydrophobicContact CG1-CD2 4.09Å; I107-L623 HydrophobicContact CG2-CD1 3.97Å
108	F	93.9	Very high	93.7	Very high	42 Å²	42	46.5 Å²	46.5	18%	0.184	26%	0.261	C	S	.	.	H	α-helix	trans	-95.9	-35.6	-176.1	-170.9	-95.8	0	0	0	114.3	L63 Y66 I69 I70 N104 C105 Y106	L63-F108 HydrophobicContact CB-CE1 4.5Å; L63-F108 HydrophobicContact CB-CZ 4.04Å; L63-F108 HydrophobicContact CD1-CE1 3.85Å; L63-F108 HydrophobicContact CD1-CZ 4.22Å; L63-F108 HydrophobicContact CD2-CE1 3.99Å; L63-F108 HydrophobicContact CD2-CZ 4.07Å; L63-F108 HydrophobicContact CG-CE1 4.32Å; L63-F108 HydrophobicContact CG-CZ 4.33Å; Y66-F108 VanDerWaalsContact CA-CE2 3.48Å; Y66-F108 HydrophobicContact CD2-CB 4.22Å; Y66-F108 AromaticContact CD2-CD1 3.82Å; Y66-F108 HydrophobicContact CD2-CD1 3.82Å; Y66-F108 AromaticContact CD2-CD2 3.57Å; Y66-F108 HydrophobicContact CD2-CD2 3.57Å; Y66-F108 HydrophobicContact CD2-CE1 4.08Å; Y66-F108 AromaticContact CD2-CE2 3.84Å; Y66-F108 HydrophobicContact CD2-CE2 3.84Å; Y66-F108 AromaticContact CD2-CG 3.56Å; Y66-F108 HydrophobicContact CD2-CG 3.56Å; Y66-F108 HydrophobicContact CD2-CZ 4.09Å; Y66-F108 HydrophobicContact CE2-CB 4.13Å; Y66-F108 HydrophobicContact CE2-CD1 4.29Å; Y66-F108 HydrophobicContact CE2-CD2 4.3Å; Y66-F108 AromaticContact CE2-CG 3.96Å; Y66-F108 HydrophobicContact CE2-CG 3.96Å; Y66-F108 HydrophobicContact CG-CD2 4.29Å; Y66-F108 HydrophobicContact CG-CE2 4.28Å; I69-F108 HydrophobicContact CB-CD2 4.47Å; I69-F108 HydrophobicContact CD1-CD2 4.03Å; I69-F108 HydrophobicContact CD1-CE2 3.99Å; I70-F108 HydrophobicContact CD1-CB 4.28Å; I70-F108 HydrophobicContact CG1-CB 4.33Å; N104-F108 PolarHBondContact O-N 3.33Å; C105-F108 PolarHBondContact O-N 2.82Å; Y106-F108 VanDerWaalsContact C-N 3.33Å; Y106-F108 PolarHBondContact O-N 3.24Å
109	N	92.4	Very high	93.6	Very high	42 Å²	42	46.5 Å²	46.5	23%	0.225	26%	0.261	C	S	.	.	S	Bend	trans	-103.6	159.4	-170.2	-53.9	-79.6	0	0	0	111.4	C105 D113 V115 V116	C105-N109 WeakPolarHBondContact O-CB 3.45Å; C105-N109 PolarHBondContact O-N 2.84Å; C105-N109 VanDerWaalsContact O-N 3.08Å; C105-N109 PolarHBondContact O-ND2 3.42Å; N109-D113 HydrophobicContact CB-CB 4.43Å; N109-D113 WeakPolarHBondContact CB-OD2 3.15Å; N109-V115 HydrophobicContact CB-CG1 3.83Å; N109-V115 VanDerWaalsContact CG-CG1 3.43Å; N109-V116 HydrophobicContact CB-CG2 3.69Å
110	K	87.7	Confident	93.4	Very high	119 Å²	119	49.6 Å²	49.6	52%	0.517	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-87.7	140.3	177.7	-72.2	-175.2	167.1	-67	0	110.7	G112 D113 V116	K110-G112 PolarHBondContact O-N 3.45Å; K110-D113 PolarHBondContact N-OD2 2.99Å; K110-D113 VanDerWaalsContact O-CB 3.22Å; K110-D113 WeakPolarHBondContact O-CB 3.49Å; K110-D113 PolarHBondContact O-N 2.9Å; K110-V116 WeakPolarHBondContact O-CG2 3.41Å
111	P	85.7	Confident	93.4	Very high	72 Å²	72	54.2 Å²	54.2	47%	0.468	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	131	164.7	-25.5	36.4	0	0	0	110.3	R626	P111-R626 VanDerWaalsContact CD-NH1 3.34Å
112	G	82.7	Confident	93.4	Very high	79 Å²	79	54 Å²	54	81%	0.814	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.4	-26.4	-165.6	0	0	0	0	0	113.3	K110	K110-G112 PolarHBondContact O-N 3.45Å
113	D	90.8	Very high	93.4	Very high	68 Å²	68	55.2 Å²	55.2	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-66.7	135.3	172.1	-65.1	-21.7	0	0	0	110.2	N109 K110 V115 V116 A117	N109-D113 HydrophobicContact CB-CB 4.43Å; N109-D113 WeakPolarHBondContact CB-OD2 3.15Å; K110-D113 PolarHBondContact N-OD2 2.99Å; K110-D113 VanDerWaalsContact O-CB 3.22Å; K110-D113 WeakPolarHBondContact O-CB 3.49Å; K110-D113 PolarHBondContact O-N 2.9Å; D113-V115 HydrophobicContact CB-CG1 4.18Å; D113-V115 PolarHBondContact O-N 3.34Å; D113-V116 HydrophobicContact CB-CG2 4.36Å; D113-V116 WeakPolarHBondContact O-CB 3.38Å; D113-V116 PolarHBondContact O-N 3.44Å; D113-A117 PolarHBondContact O-N 3.02Å
114	D	93.4	Very high	93.3	Very high	134 Å²	134	54.8 Å²	54.8	72%	0.717	30%	0.302	S	S	*	.	H	α-helix	trans	-50.5	-39.1	-179.9	-77.5	-43.1	0	0	0	112.6	V116 A117 M118	D114-V116 VanDerWaalsContact C-N 3.26Å; D114-V116 PolarHBondContact O-N 2.88Å; D114-A117 PolarHBondContact O-N 3.16Å; D114-M118 HydrophobicContact CB-SD 4.37Å; D114-M118 WeakPolarHBondContact O-CB 3.43Å; D114-M118 WeakPolarHBondContact O-CG 3.25Å; D114-M118 PolarHBondContact O-N 2.87Å
115	V	94.4	Very high	93.3	Very high	33 Å²	33	55.4 Å²	55.4	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-28.2	-179.6	73.1	0	0	0	0	112.9	P51 F52 N109 D113 A119	P51-V115 HydrophobicContact CB-CG2 4.02Å; P51-V115 HydrophobicContact CG-CG2 4.24Å; F52-V115 HydrophobicContact CE2-CG2 4.4Å; F52-V115 HydrophobicContact CZ-CG2 3.82Å; N109-V115 HydrophobicContact CB-CG1 3.83Å; N109-V115 VanDerWaalsContact CG-CG1 3.43Å; D113-V115 HydrophobicContact CB-CG1 4.18Å; D113-V115 PolarHBondContact O-N 3.34Å; V115-A119 WeakPolarHBondContact O-CB 3.39Å; V115-A119 PolarHBondContact O-N 2.89Å
116	V	94.5	Very high	93.3	Very high	8 Å²	8	55 Å²	55	5%	0.048	30%	0.303	C	S	.	.	H	α-helix	trans	-73.7	-45.4	173.4	174.4	0	0	0	0	110.3	Y106 N109 K110 D113 D114 M118 A119 M120	Y106-V116 HydrophobicContact CD1-CG1 3.98Å; Y106-V116 HydrophobicContact CE1-CG1 4.11Å; N109-V116 HydrophobicContact CB-CG2 3.69Å; K110-V116 WeakPolarHBondContact O-CG2 3.41Å; D113-V116 HydrophobicContact CB-CG2 4.36Å; D113-V116 WeakPolarHBondContact O-CB 3.38Å; D113-V116 PolarHBondContact O-N 3.44Å; D114-V116 VanDerWaalsContact C-N 3.26Å; D114-V116 PolarHBondContact O-N 2.88Å; V116-M118 VanDerWaalsContact C-N 3.27Å; V116-M118 PolarHBondContact O-N 3.01Å; V116-A119 WeakPolarHBondContact O-CB 3.42Å; V116-A119 PolarHBondContact O-N 3Å; V116-A119 VanDerWaalsContact O-N 3.16Å; V116-M120 HydrophobicContact CG1-CG 4.48Å; V116-M120 HydrophobicContact CG1-SD 4.17Å; V116-M120 WeakPolarHBondContact O-CG 3.36Å; V116-M120 PolarHBondContact O-N 3.11Å
117	A	93	Very high	93.3	Very high	59 Å²	59	58.7 Å²	58.7	49%	0.488	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-36.6	174.4	0	0	0	0	0	112.1	D113 D114 K121	D113-A117 PolarHBondContact O-N 3.02Å; D114-A117 PolarHBondContact O-N 3.16Å; A117-K121 WeakPolarHBondContact O-CB 3.44Å; A117-K121 PolarHBondContact O-N 3.07Å
118	M	96.2	Very high	93.4	Very high	27 Å²	27	59.6 Å²	59.6	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-42.3	173.4	-67	163.4	66.2	0	0	111.9	I48 W50 P51 F52 D114 V116 L122	I48-M118 HydrophobicContact CB-CB 4.3Å; I48-M118 HydrophobicContact CB-CE 4.06Å; I48-M118 HydrophobicContact CB-CG 4.02Å; I48-M118 HydrophobicContact CG2-CG 4.18Å; I48-M118 WeakPolarHBondContact O-CE 3.31Å; W50-M118 HydrophobicContact CZ2-CE 4.43Å; P51-M118 HydrophobicContact CG-CE 3.45Å; P51-M118 VanDerWaalsContact CG-CE 3.45Å; F52-M118 HydrophobicContact CE2-CB 4.2Å; D114-M118 HydrophobicContact CB-SD 4.37Å; D114-M118 WeakPolarHBondContact O-CB 3.43Å; D114-M118 WeakPolarHBondContact O-CG 3.25Å; D114-M118 PolarHBondContact O-N 2.87Å; V116-M118 VanDerWaalsContact C-N 3.27Å; V116-M118 PolarHBondContact O-N 3.01Å; M118-L122 WeakPolarHBondContact O-CB 2.89Å; M118-L122 WeakPolarHBondContact O-CD1 3.42Å; M118-L122 VanDerWaalsContact O-CG 3.27Å; M118-L122 WeakPolarHBondContact O-CG 3.46Å; M118-L122 PolarHBondContact O-N 3.31Å
119	A	96.4	Very high	93.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-52.8	173.9	0	0	0	0	0	111.8	F52 F102 C105 Y106 V115 V116 K121 L122 E123	F52-A119 HydrophobicContact CE1-CB 4.16Å; F52-A119 HydrophobicContact CZ-CB 3.74Å; F102-A119 HydrophobicContact CD1-CB 4.1Å; C105-A119 HydrophobicContact CB-CB 4.05Å; Y106-A119 HydrophobicContact CE1-CB 3.7Å; V115-A119 WeakPolarHBondContact O-CB 3.39Å; V115-A119 PolarHBondContact O-N 2.89Å; V116-A119 WeakPolarHBondContact O-CB 3.42Å; V116-A119 PolarHBondContact O-N 3Å; V116-A119 VanDerWaalsContact O-N 3.16Å; A119-K121 VanDerWaalsContact C-N 3.28Å; A119-K121 PolarHBondContact O-N 2.98Å; A119-L122 PolarHBondContact O-N 3.17Å; A119-L122 VanDerWaalsContact O-N 3.11Å; A119-E123 WeakPolarHBondContact O-CB 3.37Å; A119-E123 PolarHBondContact O-N 2.63Å
120	M	93.7	Very high	93.7	Very high	98 Å²	98	61.1 Å²	61.1	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-55.5	-43	-179.9	-67.9	172.5	76.3	0	0	111.9	Y106 V116 E123 Q124	Y106-M120 HydrophobicContact CE1-CG 3.95Å; Y106-M120 WeakPolarHBondContact OH-CA 3.49Å; Y106-M120 PolarHBondContact OH-N 3.39Å; V116-M120 HydrophobicContact CG1-CG 4.48Å; V116-M120 HydrophobicContact CG1-SD 4.17Å; V116-M120 WeakPolarHBondContact O-CG 3.36Å; V116-M120 PolarHBondContact O-N 3.11Å; M120-E123 PolarHBondContact O-N 3.16Å; M120-Q124 WeakPolarHBondContact O-CB 3.22Å; M120-Q124 PolarHBondContact O-N 3.28Å
121	K	95.6	Very high	94	Very high	125 Å²	125	63.3 Å²	63.3	54%	0.543	33%	0.332	S	S	.	.	H	α-helix	trans	-70.5	-36	179	-176.3	165	173	173.2	0	113.3	I48 A117 A119 I125	I48-K121 HydrophobicContact CD1-CB 3.77Å; I48-K121 HydrophobicContact CD1-CD 3.81Å; I48-K121 HydrophobicContact CD1-CG 3.7Å; A117-K121 WeakPolarHBondContact O-CB 3.44Å; A117-K121 PolarHBondContact O-N 3.07Å; A119-K121 VanDerWaalsContact C-N 3.28Å; A119-K121 PolarHBondContact O-N 2.98Å; K121-I125 HydrophobicContact CG-CD1 4.43Å; K121-I125 WeakPolarHBondContact O-CD1 3.33Å; K121-I125 VanDerWaalsContact O-CG1 3.28Å; K121-I125 WeakPolarHBondContact O-CG1 3.46Å; K121-I125 PolarHBondContact O-N 3.08Å
122	L	97.6	Very high	94.4	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-70.1	-38.8	173.3	-73.4	164.5	0	0	0	111.6	L43 E46 I48 V49 F52 F102 M118 A119 I125 A126	L43-L122 HydrophobicContact CD2-CB 4.25Å; L43-L122 HydrophobicContact CD2-CD2 3.96Å; L43-L122 VanDerWaalsContact CD2-O 3.25Å; L43-L122 WeakPolarHBondContact CD2-O 3.33Å; E46-L122 HydrophobicContact CB-CD2 3.93Å; E46-L122 HydrophobicContact CG-CD2 4.3Å; I48-L122 HydrophobicContact CD1-CD2 4.27Å; I48-L122 HydrophobicContact CD1-CG 3.89Å; I48-L122 HydrophobicContact CG1-CD1 4.37Å; I48-L122 HydrophobicContact CG1-CD2 4.01Å; I48-L122 HydrophobicContact CG1-CG 3.99Å; V49-L122 HydrophobicContact CB-CD2 4.25Å; V49-L122 HydrophobicContact CG2-CD2 4.34Å; F52-L122 HydrophobicContact CD2-CD1 3.35Å; F52-L122 HydrophobicContact CE2-CD1 3.61Å; F52-L122 HydrophobicContact CG-CD1 4.23Å; F102-L122 HydrophobicContact CE1-CB 3.67Å; F102-L122 HydrophobicContact CZ-CB 3.92Å; M118-L122 WeakPolarHBondContact O-CB 2.89Å; M118-L122 WeakPolarHBondContact O-CD1 3.42Å; M118-L122 VanDerWaalsContact O-CG 3.27Å; M118-L122 WeakPolarHBondContact O-CG 3.46Å; M118-L122 PolarHBondContact O-N 3.31Å; A119-L122 PolarHBondContact O-N 3.17Å; A119-L122 VanDerWaalsContact O-N 3.11Å; L122-I125 PolarHBondContact O-N 3.41Å; L122-A126 PolarHBondContact O-N 2.93Å
123	E	97	Very high	95	Very high	26 Å²	26	65.4 Å²	65.4	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-42.7	177.2	-168.3	-177.8	157.9	0	0	111.4	F99 F102 Y106 A119 M120 I125 A126 R127	F99-E123 HydrophobicContact CD1-CG 4.3Å; F99-E123 HydrophobicContact CE1-CG 4.03Å; F102-E123 HydrophobicContact CD1-CB 4.07Å; F102-E123 HydrophobicContact CD2-CB 3.92Å; F102-E123 HydrophobicContact CD2-CG 3.75Å; F102-E123 HydrophobicContact CE1-CB 4.11Å; F102-E123 HydrophobicContact CE2-CB 3.95Å; F102-E123 HydrophobicContact CE2-CG 4.04Å; F102-E123 HydrophobicContact CG-CB 3.98Å; F102-E123 HydrophobicContact CG-CG 4.1Å; F102-E123 HydrophobicContact CZ-CB 4.05Å; Y106-E123 VanDerWaalsContact CE2-OE2 3.3Å; Y106-E123 WeakPolarHBondContact CE2-OE2 3.39Å; Y106-E123 PolarHBondContact OH-OE2 2.83Å; A119-E123 WeakPolarHBondContact O-CB 3.37Å; A119-E123 PolarHBondContact O-N 2.63Å; M120-E123 PolarHBondContact O-N 3.16Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 2.89Å; E123-A126 WeakPolarHBondContact O-CB 3.39Å; E123-A126 PolarHBondContact O-N 3.49Å; E123-A126 VanDerWaalsContact O-N 3.16Å; E123-R127 HydrophobicContact CG-CG 4.49Å; E123-R127 WeakPolarHBondContact O-CB 3.31Å; E123-R127 WeakPolarHBondContact O-CG 3.3Å; E123-R127 PolarHBondContact O-N 3.15Å; E123-R127 IonicContact OE1-CZ 2.67Å; E123-R127 IonicContact OE1-NE 3.37Å; E123-R127 PolarHBondContact OE1-NE 3.42Å; E123-R127 IonicContact OE1-NH2 2.79Å; E123-R127 PolarHBondContact OE1-NH2 2.91Å
124	Q	94.9	Very high	95	Very high	96 Å²	96	64.9 Å²	64.9	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-55.8	-48	171.4	176.4	62.3	15.9	0	0	111.4	M120 A126 R127 E128	M120-Q124 WeakPolarHBondContact O-CB 3.22Å; M120-Q124 PolarHBondContact O-N 3.28Å; Q124-A126 VanDerWaalsContact C-N 3.31Å; Q124-A126 PolarHBondContact O-N 3.5Å; Q124-R127 PolarHBondContact O-N 3.42Å; Q124-E128 PolarHBondContact NE2-OE1 2.98Å; Q124-E128 WeakPolarHBondContact O-CB 3.43Å; Q124-E128 WeakPolarHBondContact O-CG 3.08Å; Q124-E128 PolarHBondContact O-N 3.34Å
125	I	95.6	Very high	94.8	Very high	22 Å²	22	64.1 Å²	64.1	11%	0.113	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-37.5	177.5	-68.6	167.1	0	0	0	111.2	R42 L43 E46 K121 L122 E123 R129	R42-I125 HydrophobicContact CG-CG2 4.14Å; L43-I125 HydrophobicContact CD2-CB 4.27Å; L43-I125 HydrophobicContact CD2-CG2 4.03Å; E46-I125 HydrophobicContact CG-CD1 3.87Å; K121-I125 HydrophobicContact CG-CD1 4.43Å; K121-I125 WeakPolarHBondContact O-CD1 3.33Å; K121-I125 VanDerWaalsContact O-CG1 3.28Å; K121-I125 WeakPolarHBondContact O-CG1 3.46Å; K121-I125 PolarHBondContact O-N 3.08Å; L122-I125 PolarHBondContact O-N 3.41Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 2.89Å; I125-R129 VanDerWaalsContact O-CG 3.27Å; I125-R129 WeakPolarHBondContact O-CG 3.41Å; I125-R129 PolarHBondContact O-N 3.39Å
126	A	96.9	Very high	94.6	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-50.1	174.7	0	0	0	0	0	111.5	V39 L43 L98 F102 L122 E123 Q124 E128 R129 L130	V39-A126 HydrophobicContact CG1-CB 4.09Å; L43-A126 HydrophobicContact CD1-CB 4.23Å; L43-A126 HydrophobicContact CD2-CB 4.32Å; L98-A126 HydrophobicContact CD2-CB 4.49Å; F102-A126 HydrophobicContact CE2-CB 4.45Å; L122-A126 PolarHBondContact O-N 2.93Å; E123-A126 WeakPolarHBondContact O-CB 3.39Å; E123-A126 PolarHBondContact O-N 3.49Å; E123-A126 VanDerWaalsContact O-N 3.16Å; Q124-A126 VanDerWaalsContact C-N 3.31Å; Q124-A126 PolarHBondContact O-N 3.5Å; A126-E128 VanDerWaalsContact C-N 3.33Å; A126-E128 PolarHBondContact O-N 3.21Å; A126-R129 PolarHBondContact O-N 2.91Å; A126-R129 VanDerWaalsContact O-N 3.14Å; A126-L130 WeakPolarHBondContact O-CG 3.34Å; A126-L130 PolarHBondContact O-N 3.01Å
127	R	94.7	Very high	94.5	Very high	122 Å²	122	68.1 Å²	68.1	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-38.3	178.7	-70.4	175.8	-179.6	-84.8	2.6	112.1	F99 E123 Q124 L130 K131	F99-R127 HydrophobicContact CE1-CG 4.1Å; F99-R127 HydrophobicContact CZ-CG 4.19Å; E123-R127 HydrophobicContact CG-CG 4.49Å; E123-R127 WeakPolarHBondContact O-CB 3.31Å; E123-R127 WeakPolarHBondContact O-CG 3.3Å; E123-R127 PolarHBondContact O-N 3.15Å; E123-R127 IonicContact OE1-CZ 2.67Å; E123-R127 IonicContact OE1-NE 3.37Å; E123-R127 PolarHBondContact OE1-NE 3.42Å; E123-R127 IonicContact OE1-NH2 2.79Å; E123-R127 PolarHBondContact OE1-NH2 2.91Å; Q124-R127 PolarHBondContact O-N 3.42Å; R127-L130 PolarHBondContact O-N 3.25Å; R127-K131 PolarHBondContact O-N 3.46Å
128	E	95.3	Very high	94.3	Very high	78 Å²	78	68.4 Å²	68.4	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-39.7	172.9	-79	175.9	-168.5	0	0	113.2	Q124 A126 F132	Q124-E128 PolarHBondContact NE2-OE1 2.98Å; Q124-E128 WeakPolarHBondContact O-CB 3.43Å; Q124-E128 WeakPolarHBondContact O-CG 3.08Å; Q124-E128 PolarHBondContact O-N 3.34Å; A126-E128 VanDerWaalsContact C-N 3.33Å; A126-E128 PolarHBondContact O-N 3.21Å; E128-F132 WeakPolarHBondContact O-CD2 3.39Å; E128-F132 WeakPolarHBondContact O-CE2 3.27Å
129	R	96.2	Very high	93.9	Very high	83 Å²	83	72.9 Å²	72.9	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-69.3	-41.8	176.3	-65.7	-71.8	144	-175.2	-10.7	111.2	Y34 E38 V39 I125 A126 K131 F132	Y34-R129 PolarHBondContact OH-O 3.37Å; E38-R129 WeakPolarHBondContact O-CD 3.49Å; E38-R129 WeakPolarHBondContact O-CG 3.35Å; V39-R129 HydrophobicContact CG2-CB 3.88Å; I125-R129 VanDerWaalsContact O-CG 3.27Å; I125-R129 WeakPolarHBondContact O-CG 3.41Å; I125-R129 PolarHBondContact O-N 3.39Å; A126-R129 PolarHBondContact O-N 2.91Å; A126-R129 VanDerWaalsContact O-N 3.14Å; R129-K131 PolarHBondContact O-N 2.89Å; R129-F132 PolarHBondContact O-N 3.49Å
130	L	96.1	Very high	93.4	Very high	32 Å²	32	76.5 Å²	76.5	17%	0.168	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-23.8	-178.5	-69.4	167.1	0	0	0	113.8	I35 V39 L95 F99 A126 R127 F132 M133	I35-L130 HydrophobicContact CG1-CD2 4.18Å; V39-L130 HydrophobicContact CG2-CD2 3.84Å; V39-L130 HydrophobicContact CG2-CG 4.17Å; L95-L130 HydrophobicContact CD2-CD1 3.73Å; L95-L130 HydrophobicContact CD2-CD2 3.71Å; L95-L130 HydrophobicContact CD2-CG 4.39Å; F99-L130 HydrophobicContact CE2-CD1 4.22Å; F99-L130 HydrophobicContact CZ-CD1 3.91Å; A126-L130 WeakPolarHBondContact O-CG 3.34Å; A126-L130 PolarHBondContact O-N 3.01Å; R127-L130 PolarHBondContact O-N 3.25Å; L130-F132 PolarHBondContact O-N 3Å; L130-F132 VanDerWaalsContact O-N 3.11Å; L130-M133 HydrophobicContact CD2-CE 4.4Å; L130-M133 HydrophobicContact CD2-SD 3.87Å; L130-M133 VanDerWaalsContact O-CB 3.27Å; L130-M133 WeakPolarHBondContact O-CB 3.42Å; L130-M133 PolarHBondContact O-N 3.36Å
131	K	94.2	Very high	91.9	Very high	166 Å²	166	77 Å²	77	72%	0.722	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.2	170.9	-68.7	175.9	-176.8	-179.7	0	114.2	R127 R129	R127-K131 PolarHBondContact O-N 3.46Å; R129-K131 PolarHBondContact O-N 2.89Å
132	F	94.2	Very high	90.1	Very high	158 Å²	158	75.6 Å²	75.6	69%	0.693	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	16.1	178.9	-52.4	-86	0	0	0	112.7	Y34 E128 R129 L130	Y34-F132 WeakPolarHBondContact CE2-O 3.45Å; E128-F132 WeakPolarHBondContact O-CD2 3.39Å; E128-F132 WeakPolarHBondContact O-CE2 3.27Å; R129-F132 PolarHBondContact O-N 3.49Å; L130-F132 PolarHBondContact O-N 3Å; L130-F132 VanDerWaalsContact O-N 3.11Å
133	M	94.2	Very high	87.7	Confident	37 Å²	37	83.3 Å²	83.3	18%	0.182	42%	0.422	C	S	.	.			trans	-70	129.6	177.6	-174	165.1	71.6	0	0	110.8	Q31 Y34 I35 L95 L130	Q31-M133 HydrophobicContact CB-CG 4.19Å; Q31-M133 HydrophobicContact CB-SD 3.88Å; Q31-M133 HydrophobicContact CG-CE 4.39Å; Q31-M133 HydrophobicContact CG-CG 3.81Å; Q31-M133 HydrophobicContact CG-SD 3.99Å; Y34-M133 HydrophobicContact CD1-CB 3.88Å; Y34-M133 HydrophobicContact CD1-CG 3.78Å; Y34-M133 HydrophobicContact CD1-SD 4.43Å; Y34-M133 HydrophobicContact CE1-CB 3.95Å; Y34-M133 HydrophobicContact CE1-CG 4.38Å; Y34-M133 HydrophobicContact CG-CG 4.29Å; I35-M133 HydrophobicContact CD1-SD 3.97Å; I35-M133 HydrophobicContact CG1-SD 3.96Å; L95-M133 HydrophobicContact CD1-CE 4.36Å; L130-M133 HydrophobicContact CD2-CE 4.4Å; L130-M133 HydrophobicContact CD2-SD 3.87Å; L130-M133 VanDerWaalsContact O-CB 3.27Å; L130-M133 WeakPolarHBondContact O-CB 3.42Å; L130-M133 PolarHBondContact O-N 3.36Å
134	P	91.4	Very high	85	Confident	57 Å²	57	91.7 Å²	91.7	37%	0.37	46%	0.458	S	S	.	.			trans	-62.4	136	-178.4	-24.9	34.5	0	0	0	113.3	Q31 Y34	Q31-P134 VanDerWaalsContact CG-O 3.24Å; Q31-P134 WeakPolarHBondContact CG-O 3.46Å; Q31-P134 PolarHBondContact NE2-O 3.5Å; Y34-P134 HydrophobicContact CD2-CG 4.23Å
135	T	88.8	Confident	82.3	Confident	118 Å²	118	93.2 Å²	93.2	72%	0.724	47%	0.474	S	S	*	.	S	Bend	trans	-123.3	146.9	174.4	53.4	0	0	0	0	110.9
136	P	89.3	Confident	79.5	Confident	68 Å²	68	98 Å²	98	44%	0.442	51%	0.507	S	S	.	.	S	Bend	cis	-70.1	173	-7.5	32.3	-36.5	0	0	0	112.8	N30 T138	N30-P136 PolarHBondContact ND2-O 3.1Å; P136-T138 HydrophobicContact CG-CG2 4.24Å
137	E	92.3	Very high	76.9	Confident	56 Å²	56	107.5 Å²	107.5	26%	0.262	55%	0.548	S	S	.	.			trans	-69.3	134.3	166.6	-170.4	160.1	-151.6	0	0	109.9	T29 N30 Q31 S91	T29-E137 WeakPolarHBondContact CB-OE1 3.33Å; T29-E137 HydrophobicContact CG2-CG 3.79Å; T29-E137 WeakPolarHBondContact CG2-OE1 3.37Å; T29-E137 PolarHBondContact OG1-OE1 3.42Å; N30-E137 WeakPolarHBondContact OD1-CA 3.34Å; Q31-E137 HydrophobicContact CB-CG 4.16Å; Q31-E137 HydrophobicContact CG-CB 4.12Å; Q31-E137 HydrophobicContact CG-CG 4.12Å; S91-E137 WeakPolarHBondContact CB-OE1 3.47Å; S91-E137 PolarHBondContact N-OE1 3.39Å; S91-E137 PolarHBondContact N-OE2 3.17Å; S91-E137 VanDerWaalsContact N-OE2 3.11Å; S91-E137 PolarHBondContact OG-OE2 3.38Å
138	T	89.1	Confident	74	Confident	66 Å²	66	106.9 Å²	106.9	41%	0.405	56%	0.562	S	S	.	*			trans	-146.4	143.9	-177.8	50.5	0	0	0	0	110.9	T29 N30 P136	T29-T138 CarbonylContact C-O 3.58Å; T29-T138 WeakPolarHBondContact CA-O 3.31Å; T29-T138 WeakPolarHBondContact CB-O 3.16Å; N30-T138 VanDerWaalsContact CG-OG1 3.25Å; N30-T138 PolarHBondContact N-O 3.5Å; N30-T138 PolarHBondContact ND2-OG1 3.35Å; N30-T138 VanDerWaalsContact ND2-OG1 3.12Å; N30-T138 PolarHBondContact OD1-N 2.93Å; N30-T138 PolarHBondContact OD1-O 2.82Å; P136-T138 HydrophobicContact CG-CG2 4.24Å
139	E	89	Confident	71.4	Confident	120 Å²	120	110.7 Å²	110.7	56%	0.561	58%	0.584	S	S	*	*	B	Isolated β-bridge	trans	-68.8	143	176.8	-62.5	-164	175.7	0	0	112.8	I27	I27-E139 HydrophobicContact CG2-CG 3.85Å; I27-E139 WeakPolarHBondContact CG2-OE1 3.43Å
140	I	84.3	Confident	68.7	Low	76 Å²	76	116.8 Å²	116.8	39%	0.39	61%	0.607	S	S	.	*			trans	-115.7	112.5	174	-62.6	-176.5	0	0	0	110	T28 N30	T28-I140 WeakPolarHBondContact CG2-O 3.31Å; T28-I140 PolarHBondContact O-N 3.23Å; N30-I140 HydrophobicContact CB-CD1 3.84Å; N30-I140 HydrophobicContact CB-CG1 4.28Å
141	C	63.3	Low	66.1	Low	110 Å²	110	121.5 Å²	121.5	74%	0.743	64%	0.639	S	S	*	*			trans	-73.9	125	163.6	-175.6	0	0	0	0	109.9	Q143	C141-Q143 PolarHBondContact O-N 2.98Å
142	P	57.8	Low	63.5	Low	95 Å²	95	121.5 Å²	121.5	62%	0.617	65%	0.645	S	S	*	*			trans	-71.7	99.8	-173.8	28.2	-35	0	0	0	111.8	K144	P142-K144 PolarHBondContact O-N 2.86Å; P142-K144 VanDerWaalsContact O-N 3.11Å
143	Q	47.1	Very low	60.8	Low	162 Å²	162	117.4 Å²	117.4	76%	0.757	65%	0.648	S	S	*	*			trans	-68.2	109.3	174.6	-64.4	-160.9	22	0	0	110.9	C141 T145	C141-Q143 PolarHBondContact O-N 2.98Å; Q143-T145 PolarHBondContact O-N 3.43Å; Q143-T145 VanDerWaalsContact O-N 3.07Å
144	K	41.3	Very low	58.2	Low	203 Å²	203	120.2 Å²	120.2	88%	0.883	68%	0.677	S	S	*	*			trans	-62.8	106	166.6	-66.3	179.7	-178.8	176.8	0	108.8	P142 P146	P142-K144 PolarHBondContact O-N 2.86Å; P142-K144 VanDerWaalsContact O-N 3.11Å; K144-P146 WeakPolarHBondContact O-CD 3.27Å
145	T	37.9	Very low	55.6	Low	127 Å²	127	123.4 Å²	123.4	78%	0.779	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-69.9	122.3	169.4	42.2	0	0	0	0	109.5	Q143 K147	Q143-T145 PolarHBondContact O-N 3.43Å; Q143-T145 VanDerWaalsContact O-N 3.07Å; T145-K147 PolarHBondContact O-N 3.35Å
146	P	36.9	Very low	53.3	Low	123 Å²	123	125 Å²	125	80%	0.799	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-62.8	132.8	171.6	-20.4	33.6	0	0	0	109.5	K144	K144-P146 WeakPolarHBondContact O-CD 3.27Å
147	K	41.6	Very low	51	Low	201 Å²	201	129.3 Å²	129.3	87%	0.874	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-64.3	140.4	173.8	-70	180	178.7	177.5	0	109.2	T145 I149	T145-K147 PolarHBondContact O-N 3.35Å; K147-I149 PolarHBondContact O-N 2.91Å
148	S	33.7	Very low	48.6	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.4	-170.9	-177.9	0	0	0	0	112.9
149	I	41.3	Very low	46.6	Very low	158 Å²	158	138.1 Å²	138.1	81%	0.81	76%	0.761	S	S	*	*			trans	-112.3	128.3	159.3	-61.1	178.1	0	0	0	106.4	K147	K147-I149 PolarHBondContact O-N 2.91Å
150	R	38.8	Very low	44.9	Very low	211 Å²	211	137.4 Å²	137.4	80%	0.796	77%	0.766	S	S	*	*			trans	-85.1	135.9	-179.5	-56.2	-177.7	-171.3	-164	3.8	109.8
151	P	42.1	Very low	43	Very low	130 Å²	130	138.6 Å²	138.6	84%	0.844	78%	0.779	S	S	*	*			trans	-64.8	133.7	164.8	-17.9	31.7	0	0	0	110.4
152	I	38.5	Very low	42.2	Very low	167 Å²	167	140.2 Å²	140.2	86%	0.856	78%	0.778	S	S	*	*			trans	-124.1	139.1	169.3	-66.9	177.8	0	0	0	107.2
153	G	37.4	Very low	41.4	Very low	72 Å²	72	144.2 Å²	144.2	74%	0.742	79%	0.789	S	S	*	*			trans	104.8	136.8	-175.8	0	0	0	0	0	112.1
154	A	39.5	Very low	41.2	Very low	96 Å²	96	141.9 Å²	141.9	79%	0.793	79%	0.788	S	S	*	*			cis	-145.5	157.4	-3.9	0	0	0	0	0	110
155	P	37.4	Very low	41.2	Very low	123 Å²	123	139.1 Å²	139.1	80%	0.799	78%	0.782	S	S	*	*			trans	-87.9	158.6	-171.3	35.6	-36	0	0	0	113.1
156	L	40.2	Very low	41.5	Very low	153 Å²	153	141 Å²	141	80%	0.801	78%	0.781	S	S	*	*			trans	-162.3	158	137.2	-107.5	168.6	0	0	0	111.8
157	Q	42.4	Very low	41.5	Very low	158 Å²	158	141 Å²	141	74%	0.738	78%	0.779	S	S	*	*			trans	-52.2	159.9	-173	-65.7	144.8	-6.1	0	0	114.2
158	V	40.5	Very low	41.4	Very low	144 Å²	144	136.1 Å²	136.1	87%	0.873	78%	0.776	S	S	*	*				-145.6	159.2	54	173.5	0	0	0	0	113.3
159	H	47.1	Very low	41.7	Very low	163 Å²	163	135.4 Å²	135.4	76%	0.755	78%	0.777	S	S	*	*			trans	-103.9	174.4	-171.4	-87.1	-92.8	0	0	0	114.7
160	P	53.8	Low	41.6	Very low	105 Å²	105	132.4 Å²	132.4	68%	0.682	77%	0.77	S	S	*	*			cis	-120	-94.7	-28.2	30.3	-8.5	0	0	0	110
161	P	45	Very low	41.6	Very low	100 Å²	100	127.8 Å²	127.8	65%	0.649	77%	0.765	S	S	*	*			cis	-114.1	152.4	-28.1	22.3	0.4	0	0	0	116
162	I	46	Very low	41.5	Very low	144 Å²	144	128 Å²	128	74%	0.738	76%	0.759	S	S	*	*				33.9	132.6	128.1	-49.2	177.9	0	0	0	118.7
163	E	41.8	Very low	41.6	Very low	179 Å²	179	127.5 Å²	127.5	84%	0.836	75%	0.753	S	S	*	*			cis	-138.6	166.6	15.7	19	-160.2	68.6	0	0	115.3
164	P	42.1	Very low	41.7	Very low	114 Å²	114	129.3 Å²	129.3	74%	0.74	75%	0.75	S	S	*	*			trans	-109.1	-174	-174.8	43	-34.9	0	0	0	114.2
165	I	41.9	Very low	41.6	Very low	145 Å²	145	132.6 Å²	132.6	74%	0.744	75%	0.749	S	S	*	*			trans	-179.3	123.2	134.2	-95.7	155.8	0	0	0	113.7
166	H	43	Very low	41.6	Very low	167 Å²	167	129.5 Å²	129.5	77%	0.773	74%	0.739	S	S	*	*			trans	54.5	151.6	142.8	-63.5	-136.9	0	0	0	121.3
167	T	38	Very low	41.6	Very low	123 Å²	123	128.6 Å²	128.6	76%	0.755	73%	0.734	S	S	*	*			cis	-158.5	160.5	-4	5.2	0	0	0	0	112.3
168	A	39.5	Very low	41.3	Very low	97 Å²	97	128.6 Å²	128.6	80%	0.802	74%	0.739	S	S	*	*			trans	21.7	147.2	142.6	0	0	0	0	0	122.1
169	A	39.3	Very low	41.2	Very low	95 Å²	95	124.9 Å²	124.9	79%	0.785	73%	0.73	S	S	*	*			cis	-160.1	-158.4	-5.1	0	0	0	0	0	107.8
170	S	39.3	Very low	40.7	Very low	95 Å²	95	123.1 Å²	123.1	66%	0.664	74%	0.736	S	S	*	*			cis	-158.3	132.4	1.3	-140.5	0	0	0	0	108.8
171	T	38.9	Very low	39.9	Very low	114 Å²	114	122.7 Å²	122.7	70%	0.699	74%	0.741	S	S	*	*				65.7	152.5	101.4	74.6	0	0	0	0	119
172	N	40.7	Very low	39.7	Very low	135 Å²	135	125 Å²	125	72%	0.722	75%	0.753	S	S	*	*			trans	87.8	132.2	170.4	-48.7	10.4	0	0	0	116.6
173	H	39.8	Very low	39.3	Very low	155 Å²	155	123.4 Å²	123.4	72%	0.718	76%	0.755	S	S	*	*			cis	-159.6	153.5	-23.4	-125.1	-79.2	0	0	0	110.8
174	T	38.8	Very low	39.2	Very low	111 Å²	111	121 Å²	121	68%	0.681	75%	0.752	S	S	*	*			trans	0.8	144.5	151.7	48.5	0	0	0	0	119.7
175	E	38.4	Very low	39	Very low	165 Å²	165	121.3 Å²	121.3	77%	0.771	75%	0.748	S	S	*	*			cis	-156.9	-173	27.2	-115.1	-89.8	-74.3	0	0	109.5
176	G	36.3	Very low	38.9	Very low	57 Å²	57	121.7 Å²	121.7	59%	0.588	75%	0.746	S	S	*	*			cis	170	-173	3.1	0	0	0	0	0	116.7
177	L	41.5	Very low	38.6	Very low	134 Å²	134	119.5 Å²	119.5	70%	0.702	75%	0.745	S	S	*	*			trans	49.9	109.1	160	-55.8	-178.2	0	0	0	123.7
178	N	36.9	Very low	38.5	Very low	159 Å²	159	118.7 Å²	118.7	85%	0.85	74%	0.74	S	S	*	*				54.7	147.3	126.3	-56.5	-9.8	0	0	0	122.8
179	G	37.1	Very low	38.4	Very low	66 Å²	66	121.9 Å²	121.9	68%	0.68	74%	0.743	S	S	*	*			cis	171.7	170.3	-2.9	0	0	0	0	0	113.4
180	S	37.4	Very low	38.4	Very low	125 Å²	125	122.3 Å²	122.3	87%	0.874	74%	0.737	S	S	*	*			trans	62	122	178.5	-57.3	0	0	0	0	116.8
181	A	37	Very low	38.4	Very low	96 Å²	96	127.9 Å²	127.9	79%	0.793	75%	0.75	S	S	*	*			cis	77.9	106.9	9.8	0	0	0	0	0	118.4
182	V	39.8	Very low	38.2	Very low	149 Å²	149	132.1 Å²	132.1	90%	0.903	75%	0.753	S	S	*	*			trans	-146.6	147.4	145.9	-178.2	0	0	0	0	107.5
183	S	37.1	Very low	38.2	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	75%	0.754	S	S	*	*			trans	-113.5	-178.4	-177.2	-54	0	0	0	0	112.1
184	V	40.8	Very low	37.9	Very low	129 Å²	129	127.4 Å²	127.4	78%	0.782	75%	0.745	S	S	*	*				166.6	128.9	123.7	155.6	0	0	0	0	112.8
185	D	38.1	Very low	38	Very low	121 Å²	121	128.7 Å²	128.7	65%	0.647	75%	0.753	S	S	*	*			trans	49.9	127.7	150.7	-67.6	-3.9	0	0	0	124.5
186	Q	39.4	Very low	38	Very low	153 Å²	153	126.9 Å²	126.9	72%	0.715	75%	0.753	S	S	*	*				75.4	147.2	82.9	-58	179.4	64.2	0	0	113
187	T	36.1	Very low	38	Very low	120 Å²	120	128.6 Å²	128.6	74%	0.736	76%	0.756	S	S	*	*			cis	-153	135.5	34.4	-54	0	0	0	0	115
188	T	36.3	Very low	37.9	Very low	106 Å²	106	128.1 Å²	128.1	65%	0.65	76%	0.759	S	S	*	*			trans	2.6	136.1	146	-27.4	0	0	0	0	122.3
189	L	38.1	Very low	38.1	Very low	165 Å²	165	125.3 Å²	125.3	86%	0.864	75%	0.752	S	S	*	*				174.2	142.7	112.7	-91.2	172.7	0	0	0	115.5
190	P	38	Very low	38.3	Very low	104 Å²	104	128.5 Å²	128.5	68%	0.675	76%	0.758	S	S	*	*			trans	-125.7	167.9	177.7	42.6	-31.6	0	0	0	115.9
191	F	39.3	Very low	38.3	Very low	211 Å²	211	132.4 Å²	132.4	93%	0.925	76%	0.76	S	S	*	*			trans	-159	152.8	159.1	-118.4	-78.7	0	0	0	114.9
192	R	36.3	Very low	38.3	Very low	203 Å²	203	137.6 Å²	137.6	77%	0.766	76%	0.764	S	S	*	*			trans	-162.9	132.7	177.2	-172.9	-130.6	-179.5	-157.7	-2.4	111.5	S194	R192-S194 PolarHBondContact NH2-OG 2.95Å
193	P	40.1	Very low	38	Very low	114 Å²	114	135.1 Å²	135.1	74%	0.74	76%	0.759	S	S	*	*				-144.7	162.2	112.9	31.2	-12.6	0	0	0	112.4
194	S	32.9	Very low	38.3	Very low	77 Å²	77	135.7 Å²	135.7	54%	0.538	76%	0.763	S	S	.	*			cis	91	100.1	25.2	-165.6	0	0	0	0	116.2	R192	R192-S194 PolarHBondContact NH2-OG 2.95Å
195	V	40.8	Very low	38	Very low	138 Å²	138	139.2 Å²	139.2	84%	0.836	77%	0.768	S	S	*	*			trans	-151.3	135.6	167	-95.2	0	0	0	0	114
196	T	38.3	Very low	38	Very low	127 Å²	127	142.8 Å²	142.8	78%	0.779	78%	0.778	S	S	*	*			trans	7.4	157.7	145.8	47.5	0	0	0	0	123.4
197	S	37.9	Very low	37.9	Very low	94 Å²	94	144.7 Å²	144.7	66%	0.657	78%	0.784	S	S	*	*			cis	179.7	-169.6	-16.4	57.7	0	0	0	0	112.5
198	T	39.2	Very low	38.2	Very low	123 Å²	123	143.5 Å²	143.5	76%	0.755	78%	0.781	S	S	*	*			trans	82.7	106.2	161.7	57.1	0	0	0	0	123
199	S	41	Very low	38.2	Very low	100 Å²	100	145.6 Å²	145.6	70%	0.699	79%	0.788	S	S	*	*				18.1	146	129.5	62	0	0	0	0	122.1
200	T	40.2	Very low	38.3	Very low	134 Å²	134	142.6 Å²	142.6	82%	0.822	78%	0.78	S	S	*	*				-161.9	157.3	62.7	43.3	0	0	0	0	117.4
201	K	38.5	Very low	38.4	Very low	206 Å²	206	143 Å²	143	90%	0.896	78%	0.781	S	S	*	*			trans	-41	148.5	173.3	-51.7	159	-179.4	173.2	0	118.3
202	K	35.5	Very low	38.6	Very low	206 Å²	206	139.7 Å²	139.7	90%	0.896	77%	0.772	S	S	*	*				-160.1	151.3	114.6	-146	167.2	-174.9	174.6	0	112.7
203	A	35.2	Very low	38.8	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	77%	0.769	S	S	*	*			trans	-153.3	156.2	173.7	0	0	0	0	0	110.6
204	S	42	Very low	38.8	Very low	122 Å²	122	138 Å²	138	85%	0.853	77%	0.767	S	S	*	*			trans	-142.5	144.3	178	-69.2	0	0	0	0	111.3
205	K	34.1	Very low	39.4	Very low	204 Å²	204	141 Å²	141	89%	0.887	78%	0.776	S	S	*	*			trans	-154.6	135.9	-171.6	-179.5	-179.2	-179.6	178.9	0	112.1
206	K	39.5	Very low	39.8	Very low	195 Å²	195	139.6 Å²	139.6	85%	0.848	77%	0.77	S	S	*	*			trans	-141.7	139.1	158.4	-82.2	-172.4	172.2	-178.2	0	107
207	K	37	Very low	40.1	Very low	193 Å²	193	138.9 Å²	138.9	84%	0.839	77%	0.77	S	S	*	*				65.6	137.7	57.2	-82.9	-160.4	170.2	-163.1	0	111.9
208	S	41.4	Very low	40.4	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	78%	0.778	S	S	*	*			cis	-168.1	136.7	8.9	28.2	0	0	0	0	108.1
209	D	36.4	Very low	40.7	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	78%	0.777	S	S	*	*				94	162.2	82.4	-162	10.1	0	0	0	112.8
210	S	41.1	Very low	40.8	Very low	101 Å²	101	144.4 Å²	144.4	71%	0.706	79%	0.785	S	S	*	*			trans	73	152.5	169.5	83.7	0	0	0	0	117.7
211	T	39.8	Very low	40.8	Very low	114 Å²	114	142.3 Å²	142.3	70%	0.699	78%	0.776	S	S	*	*			cis	-177.6	129.1	-13.2	-101.1	0	0	0	0	111.3
212	I	43.6	Very low	41.1	Very low	141 Å²	141	142.5 Å²	142.5	72%	0.723	77%	0.773	S	S	*	*			trans	62.2	156.5	138.9	-60.4	-175.4	0	0	0	117.3
213	D	41.3	Very low	41.5	Very low	132 Å²	132	139.3 Å²	139.3	71%	0.706	77%	0.765	S	S	*	*			cis	-148.3	176.6	17.5	-134.1	-25.5	0	0	0	115.6
214	E	39	Very low	41.7	Very low	149 Å²	149	141.5 Å²	141.5	70%	0.696	76%	0.764	S	S	*	*			trans	28.3	156.3	146.1	-80.5	-171	133.1	0	0	124.1
215	L	45.4	Very low	42.1	Very low	141 Å²	141	143.1 Å²	143.1	74%	0.738	76%	0.762	S	S	*	*			cis	-151.1	160.3	8.7	-117.7	150.9	0	0	0	110.1
216	P	49.7	Very low	42.2	Very low	108 Å²	108	138.7 Å²	138.7	70%	0.701	76%	0.756	S	S	*	*			trans	-124.2	173.2	-171.7	42.1	-28.3	0	0	0	116
217	S	44.1	Very low	42.2	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	76%	0.758	S	S	*	*			trans	165.3	150.4	151.7	-81.2	0	0	0	0	110.4
218	T	45.4	Very low	42.2	Very low	133 Å²	133	138.4 Å²	138.4	82%	0.816	76%	0.756	S	S	*	*			cis	-148.3	161.5	1.4	2	0	0	0	0	110.5
219	P	45.7	Very low	42.1	Very low	115 Å²	115	145.3 Å²	145.3	75%	0.747	77%	0.767	S	S	*	*			trans	-121.7	175.2	-169.4	43.3	-32.4	0	0	0	115.8
220	Q	41.9	Very low	42	Very low	184 Å²	184	149.8 Å²	149.8	86%	0.86	77%	0.773	S	S	*	*			trans	-168.3	127.1	138.9	-105.2	161.8	6	0	0	109.9
221	S	40.6	Very low	42.2	Very low	91 Å²	91	154.2 Å²	154.2	64%	0.636	78%	0.783	S	S	*	*				69.2	130.8	102.6	-167.9	0	0	0	0	113.3
222	Y	45.6	Very low	42.5	Very low	210 Å²	210	156.9 Å²	156.9	82%	0.824	79%	0.791	S	S	*	*			cis	-154.1	-177.3	16.7	44.3	-93.9	0	0	0	111.2
223	D	42.7	Very low	42.2	Very low	138 Å²	138	159.7 Å²	159.7	74%	0.738	80%	0.798	S	S	*	*			cis	178.1	158	-42.3	-74.7	-33.8	0	0	0	105.5
224	D	40.4	Very low	42.5	Very low	142 Å²	142	163 Å²	163	76%	0.759	81%	0.806	S	S	*	*			cis	-165.1	-155.5	-17.9	175.4	37.8	0	0	0	106.9
225	L	49	Very low	42.4	Very low	157 Å²	157	161.9 Å²	161.9	82%	0.822	81%	0.812	S	S	*	*			trans	85.9	81.5	165.3	-59.5	-177.3	0	0	0	118.6
226	S	36.1	Very low	41.7	Very low	110 Å²	110	162.4 Å²	162.4	77%	0.769	81%	0.808	S	S	*	*			trans	-74.2	135.1	154.8	174	0	0	0	0	112.6
227	R	40.9	Very low	40.9	Very low	231 Å²	231	169.5 Å²	169.5	87%	0.872	82%	0.821	S	S	*	*			trans	-177.9	154.1	131.7	-102.6	160	179.3	154.3	1.2	116
228	D	36.9	Very low	40.2	Very low	152 Å²	152	170.2 Å²	170.2	81%	0.813	81%	0.812	S	S	*	*			trans	-24.7	120.6	175.6	-64.5	-94.5	0	0	0	120
229	R	38.3	Very low	39.5	Very low	240 Å²	240	173.5 Å²	173.5	91%	0.906	81%	0.811	S	S	*	*			trans	-150.5	118.4	132.1	-126.4	176.4	-174.6	-150.6	0.4	115.8
230	R	34.3	Very low	39.1	Very low	245 Å²	245	173 Å²	173	93%	0.925	80%	0.798	S	S	*	*			trans	-28.3	124.7	169.4	-55	166.6	-170.9	170.8	1.9	114.5
231	Q	45.1	Very low	38.6	Very low	194 Å²	194	173.5 Å²	173.5	91%	0.907	80%	0.801	S	S	*	*			trans	-107.5	160.9	162.7	-70.8	-158.6	5.8	0	0	112.4
232	I	47	Very low	38.2	Very low	169 Å²	169	177.5 Å²	177.5	87%	0.867	80%	0.802	S	S	*	*			trans	-102	143.1	-159.8	-64.7	168	0	0	0	111.8
233	K	37.4	Very low	37.7	Very low	200 Å²	200	172.3 Å²	172.3	87%	0.87	79%	0.788	S	S	*	*			trans	-68.6	137.3	-178.7	-64.4	173.7	179.3	173	0	112.8
234	K	47	Very low	37.2	Very low	201 Å²	201	172.8 Å²	172.8	87%	0.874	80%	0.796	S	S	*	*			trans	-129.1	151.5	144.6	-75.3	-171.4	177.2	179	0	109.1
235	P	36.1	Very low	36.8	Very low	127 Å²	127	169.6 Å²	169.6	83%	0.825	80%	0.797	S	S	*	*			trans	-93.4	140.4	-147.2	33.2	-35.9	0	0	0	117.1
236	K	31	Very low	36.5	Very low	151 Å²	151	170.1 Å²	170.1	66%	0.657	79%	0.792	S	S	*	*			trans	-15.2	130.4	157.1	-89.9	-176.6	171.3	-168.4	0	117.1	E238	K236-E238 HydrophobicContact CD-CB 4.21Å; K236-E238 VanDerWaalsContact CE-CD 3.43Å; K236-E238 WeakPolarHBondContact CE-OE1 3.32Å; K236-E238 WeakPolarHBondContact CE-OE2 3.15Å; K236-E238 HydrophobicContact CG-CB 4.37Å; K236-E238 IonicContact NZ-OE1 2.71Å; K236-E238 PolarHBondContact NZ-OE1 3.43Å; K236-E238 IonicContact NZ-OE2 3.43Å; K236-E238 PolarHBondContact NZ-OE2 3.09Å
237	R	34.5	Very low	37.3	Very low	258 Å²	258	176.2 Å²	176.2	97%	0.974	80%	0.798	S	S	*	*				-112.4	135.6	124.6	-80	-175.5	174.3	168.8	-0.5	107.8
238	E	28.5	Very low	38.5	Very low	127 Å²	127	170.4 Å²	170.4	59%	0.593	78%	0.784	S	S	*	*			trans	-148.2	154.8	-173.1	176.1	-176.1	-108.6	0	0	108.1	K236	K236-E238 HydrophobicContact CD-CB 4.21Å; K236-E238 VanDerWaalsContact CE-CD 3.43Å; K236-E238 WeakPolarHBondContact CE-OE1 3.32Å; K236-E238 WeakPolarHBondContact CE-OE2 3.15Å; K236-E238 HydrophobicContact CG-CB 4.37Å; K236-E238 IonicContact NZ-OE1 2.71Å; K236-E238 PolarHBondContact NZ-OE1 3.43Å; K236-E238 IonicContact NZ-OE2 3.43Å; K236-E238 PolarHBondContact NZ-OE2 3.09Å
239	Y	31.3	Very low	40.4	Very low	202 Å²	202	174.7 Å²	174.7	79%	0.792	79%	0.789	S	S	*	*			trans	71.4	126.7	174	-101	-139.4	0	0	0	115.9
240	E	37.5	Very low	42.6	Very low	104 Å²	104	165 Å²	165	49%	0.486	75%	0.754	S	S	.	*			cis	-132.9	141.1	3.8	-75.5	-160.8	107.3	0	0	114.5	R242	E240-R242 IonicContact OE1-CZ 2.63Å; E240-R242 IonicContact OE1-NE 3.85Å; E240-R242 PolarHBondContact OE1-NE 3.44Å; E240-R242 IonicContact OE1-NH2 3.89Å; E240-R242 PolarHBondContact OE1-NH2 3.21Å; E240-R242 IonicContact OE2-CZ 2.72Å; E240-R242 IonicContact OE2-NE 2.69Å; E240-R242 IonicContact OE2-NH2 3.27Å; E240-R242 PolarHBondContact OE2-NH2 3.07Å
241	E	31.4	Very low	45.2	Very low	195 Å²	195	155 Å²	155	91%	0.911	72%	0.722	S	S	*	*			trans	-102.2	80.5	174.3	-176.1	176.9	-160.8	0	0	109.8
242	R	31.4	Very low	47.4	Very low	175 Å²	175	151.4 Å²	151.4	66%	0.66	71%	0.706	S	S	*	*			trans	-145.7	125.1	177	-61.5	-165.5	-84.7	131	-17	109.6	E240	E240-R242 IonicContact OE1-CZ 2.63Å; E240-R242 IonicContact OE1-NE 3.85Å; E240-R242 PolarHBondContact OE1-NE 3.44Å; E240-R242 IonicContact OE1-NH2 3.89Å; E240-R242 PolarHBondContact OE1-NH2 3.21Å; E240-R242 IonicContact OE2-CZ 2.72Å; E240-R242 IonicContact OE2-NE 2.69Å; E240-R242 IonicContact OE2-NH2 3.27Å; E240-R242 PolarHBondContact OE2-NH2 3.07Å
243	N	35	Very low	49.6	Very low	100 Å²	100	143.3 Å²	143.3	54%	0.535	66%	0.664	S	S	.	*			cis	-133.1	137.6	6	-49.7	-111	0	0	0	109.9	K246	N243-K246 HydrophobicContact CB-CD 4.42Å; N243-K246 HydrophobicContact CB-CG 4.4Å; N243-K246 WeakPolarHBondContact OD1-CE 3.36Å; N243-K246 PolarHBondContact OD1-NZ 2.9Å
244	V	31.9	Very low	52.4	Low	149 Å²	149	134.1 Å²	134.1	90%	0.903	63%	0.625	S	S	*	*	S	Bend	trans	-91.8	141.6	150.2	177.2	0	0	0	0	107.7
245	G	32.8	Very low	54.6	Low	75 Å²	75	128.8 Å²	128.8	77%	0.773	60%	0.601	S	S	*	*			trans	95.4	8.1	163.1	0	0	0	0	0	119.1	R247	G245-R247 PolarHBondContact O-N 3.37Å
246	K	43	Very low	57.5	Low	167 Å²	167	123.9 Å²	123.9	73%	0.726	57%	0.572	S	S	*	*			trans	-82	99.8	170.7	-74.5	-172.3	175.7	174.8	0	111.2	N243 L248	N243-K246 HydrophobicContact CB-CD 4.42Å; N243-K246 HydrophobicContact CB-CG 4.4Å; N243-K246 WeakPolarHBondContact OD1-CE 3.36Å; N243-K246 PolarHBondContact OD1-NZ 2.9Å; K246-L248 PolarHBondContact O-N 2.91Å
247	R	52.7	Low	60.6	Low	239 Å²	239	116.7 Å²	116.7	90%	0.902	54%	0.54	S	S	*	.			trans	-50.6	131.8	171.8	-132.8	176.8	-176.4	161.1	1.1	110.2	G245 R249	G245-R247 PolarHBondContact O-N 3.37Å; R247-R249 PolarHBondContact O-N 3.45Å
248	L	66.3	Low	63.5	Low	108 Å²	108	105.3 Å²	105.3	57%	0.565	50%	0.5	S	S	*	.			trans	-59.8	130.1	178.7	-163.1	78.2	0	0	0	110	K246 L250	K246-L248 PolarHBondContact O-N 2.91Å; L248-L250 PolarHBondContact O-N 3.35Å
249	R	75.9	Confident	66.8	Low	243 Å²	243	103.8 Å²	103.8	92%	0.917	50%	0.496	S	S	*	.			trans	-87	91.5	179.5	-83.4	-171	146.4	172.7	-7.3	110.5	R247	R247-R249 PolarHBondContact O-N 3.45Å
250	L	85.2	Confident	69.9	Low	35 Å²	35	95 Å²	95	18%	0.183	46%	0.463	C	S	.	.			trans	-57.9	150	166.5	-60.4	-179.7	0	0	0	111.3	L248 L254 K255 L307	L248-L250 PolarHBondContact O-N 3.35Å; L250-L254 HydrophobicContact CB-CB 3.87Å; L250-L254 HydrophobicContact CD2-CB 4.34Å; L250-L254 HydrophobicContact CG-CB 4.49Å; L250-K255 HydrophobicContact CB-CG 4.13Å; L250-K255 WeakPolarHBondContact O-CE 3.46Å; L250-L307 HydrophobicContact CD1-CD1 4.21Å; L250-L307 HydrophobicContact CD1-CG 4.32Å; L250-L307 HydrophobicContact CD2-CD1 4.22Å
251	S	89.3	Confident	72.8	Confident	36 Å²	36	90.3 Å²	90.3	25%	0.252	44%	0.441	S	S	.	.			trans	-61.9	168.9	168.5	77.1	0	0	0	0	111.3	A253 L254 K255 D360	S251-A253 VanDerWaalsContact C-N 3.34Å; S251-L254 PolarHBondContact O-N 2.9Å; S251-L254 WeakPolarHBondContact OG-CB 3.29Å; S251-L254 WeakPolarHBondContact OG-CG 3.34Å; S251-L254 PolarHBondContact OG-N 2.91Å; S251-K255 WeakPolarHBondContact O-CE 3.23Å; S251-K255 WeakPolarHBondContact O-CG 3.49Å; S251-K255 PolarHBondContact O-N 3.41Å; S251-D360 WeakPolarHBondContact CB-OD1 3.37Å; S251-D360 PolarHBondContact OG-OD1 2.74Å; S251-D360 PolarHBondContact OG-OD2 3.36Å
252	E	89.8	Confident	75.9	Confident	118 Å²	118	86.5 Å²	86.5	55%	0.551	42%	0.421	S	S	*	.	H	α-helix	trans	-67	-38.6	177.2	-160.9	59.6	-133.2	0	0	111.1	L254 K255 A256	E252-L254 PolarHBondContact O-N 2.94Å; E252-K255 WeakPolarHBondContact O-CB 3.42Å; E252-K255 PolarHBondContact O-N 2.87Å; E252-K255 WeakPolarHBondContact OE2-CE 3.5Å; E252-K255 IonicContact OE2-NZ 3.96Å; E252-K255 PolarHBondContact OE2-NZ 3.49Å; E252-A256 PolarHBondContact O-N 3.04Å
253	A	93.7	Very high	79	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-63.7	-40.9	173.1	0	0	0	0	0	111.9	S251 K255 A256 C257 K315 V357 D360	S251-A253 VanDerWaalsContact C-N 3.34Å; A253-K255 PolarHBondContact O-N 3.34Å; A253-A256 WeakPolarHBondContact O-CB 3.24Å; A253-A256 PolarHBondContact O-N 3.48Å; A253-C257 PolarHBondContact O-N 2.9Å; A253-C257 PolarHBondContact O-SG 3.25Å; A253-K315 HydrophobicContact CB-CB 3.96Å; A253-K315 HydrophobicContact CB-CD 4.08Å; A253-K315 HydrophobicContact CB-CG 4.38Å; A253-V357 HydrophobicContact CB-CG1 3.73Å; A253-D360 VanDerWaalsContact CB-CG 3.48Å; A253-D360 VanDerWaalsContact CB-OD1 3.29Å; A253-D360 WeakPolarHBondContact CB-OD1 3.48Å; A253-D360 WeakPolarHBondContact CB-OD2 3.49Å; A253-D360 PolarHBondContact N-OD1 2.69Å
254	L	95.4	Very high	81.9	Confident	7 Å²	7	75.2 Å²	75.2	4%	0.037	37%	0.374	C	S	.	.	H	α-helix	trans	-69.3	-28.9	176.1	-72	170.6	0	0	0	113.1	L250 S251 E252 S258 L307 Y312	L250-L254 HydrophobicContact CB-CB 3.87Å; L250-L254 HydrophobicContact CD2-CB 4.34Å; L250-L254 HydrophobicContact CG-CB 4.49Å; S251-L254 PolarHBondContact O-N 2.9Å; S251-L254 WeakPolarHBondContact OG-CB 3.29Å; S251-L254 WeakPolarHBondContact OG-CG 3.34Å; S251-L254 PolarHBondContact OG-N 2.91Å; E252-L254 PolarHBondContact O-N 2.94Å; L254-S258 WeakPolarHBondContact O-CB 3.38Å; L254-S258 PolarHBondContact O-N 3.24Å; L254-L307 HydrophobicContact CB-CD1 4.36Å; L254-L307 HydrophobicContact CD2-CD1 3.87Å; L254-Y312 VanDerWaalsContact CD1-O 3.32Å; L254-Y312 WeakPolarHBondContact CD1-O 3.29Å
255	K	94.7	Very high	85	Confident	88 Å²	88	70 Å²	70	38%	0.383	35%	0.345	S	S	.	.	H	α-helix	trans	-66	-43.2	168	-77.3	172	-118.1	162.8	0	111.6	L250 S251 E252 A253 S258 N259	L250-K255 HydrophobicContact CB-CG 4.13Å; L250-K255 WeakPolarHBondContact O-CE 3.46Å; S251-K255 WeakPolarHBondContact O-CE 3.23Å; S251-K255 WeakPolarHBondContact O-CG 3.49Å; S251-K255 PolarHBondContact O-N 3.41Å; E252-K255 WeakPolarHBondContact O-CB 3.42Å; E252-K255 PolarHBondContact O-N 2.87Å; E252-K255 WeakPolarHBondContact OE2-CE 3.5Å; E252-K255 IonicContact OE2-NZ 3.96Å; E252-K255 PolarHBondContact OE2-NZ 3.49Å; A253-K255 PolarHBondContact O-N 3.34Å; K255-S258 WeakPolarHBondContact O-CB 3.44Å; K255-S258 PolarHBondContact O-N 2.82Å; K255-N259 PolarHBondContact O-N 2.84Å; K255-N259 VanDerWaalsContact O-N 3.11Å; K255-N259 PolarHBondContact O-ND2 2.87Å
256	A	95.5	Very high	88	Confident	25 Å²	25	68 Å²	68	21%	0.207	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-42.6	174.2	0	0	0	0	0	111.4	E252 A253 S258 N259 I260 V357	E252-A256 PolarHBondContact O-N 3.04Å; A253-A256 WeakPolarHBondContact O-CB 3.24Å; A253-A256 PolarHBondContact O-N 3.48Å; A256-S258 VanDerWaalsContact C-N 3.33Å; A256-S258 PolarHBondContact O-N 3.43Å; A256-N259 WeakPolarHBondContact O-CA 3.1Å; A256-N259 WeakPolarHBondContact O-CB 3.37Å; A256-N259 PolarHBondContact O-N 3.38Å; A256-I260 PolarHBondContact O-N 3.15Å; A256-V357 HydrophobicContact CB-CB 4.49Å; A256-V357 HydrophobicContact CB-CG1 3.97Å; A256-V357 HydrophobicContact CB-CG2 4.05Å
257	C	96.9	Very high	90.4	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.2	-42.7	171.3	-66.4	0	0	0	0	112.2	A253 N259 I260 L261 F318	A253-C257 PolarHBondContact O-N 2.9Å; A253-C257 PolarHBondContact O-SG 3.25Å; C257-N259 PolarHBondContact O-N 2.89Å; C257-I260 PolarHBondContact O-N 3.47Å; C257-L261 WeakPolarHBondContact O-CB 3.43Å; C257-L261 PolarHBondContact O-N 2.99Å; C257-F318 HydrophobicContact CB-CD1 3.48Å; C257-F318 VanDerWaalsContact CB-CD1 3.48Å; C257-F318 HydrophobicContact CB-CD2 4.35Å; C257-F318 HydrophobicContact CB-CE1 3.43Å; C257-F318 VanDerWaalsContact CB-CE1 3.43Å; C257-F318 HydrophobicContact CB-CE2 4.33Å; C257-F318 HydrophobicContact CB-CG 3.95Å; C257-F318 HydrophobicContact CB-CZ 3.88Å; C257-F318 WeakPolarHBondContact SG-CD1 3.34Å
258	S	96	Very high	92.5	Very high	18 Å²	18	63.1 Å²	63.1	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-32.4	173.6	-173.7	0	0	0	0	112.6	L254 K255 A256 K262	L254-S258 WeakPolarHBondContact O-CB 3.38Å; L254-S258 PolarHBondContact O-N 3.24Å; K255-S258 WeakPolarHBondContact O-CB 3.44Å; K255-S258 PolarHBondContact O-N 2.82Å; A256-S258 VanDerWaalsContact C-N 3.33Å; A256-S258 PolarHBondContact O-N 3.43Å; S258-K262 VanDerWaalsContact O-CD 3.29Å; S258-K262 WeakPolarHBondContact O-CD 3.45Å; S258-K262 WeakPolarHBondContact O-CE 3.07Å; S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 3.48Å; S258-K262 PolarHBondContact O-NZ 3.41Å; S258-K262 WeakPolarHBondContact OG-CE 3.4Å; S258-K262 PolarHBondContact OG-NZ 2.92Å
259	N	96.5	Very high	93.9	Very high	96 Å²	96	60.1 Å²	60.1	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-78.7	-39.8	176.9	-64.7	-21	0	0	0	112.1	K255 A256 C257 L261 K262 D263	K255-N259 PolarHBondContact O-N 2.84Å; K255-N259 VanDerWaalsContact O-N 3.11Å; K255-N259 PolarHBondContact O-ND2 2.87Å; A256-N259 WeakPolarHBondContact O-CA 3.1Å; A256-N259 WeakPolarHBondContact O-CB 3.37Å; A256-N259 PolarHBondContact O-N 3.38Å; C257-N259 PolarHBondContact O-N 2.89Å; N259-L261 VanDerWaalsContact C-N 3.32Å; N259-L261 PolarHBondContact O-N 3.44Å; N259-K262 PolarHBondContact O-N 2.79Å; N259-K262 PolarHBondContact OD1-NZ 3.03Å; N259-D263 WeakPolarHBondContact O-CB 3.43Å; N259-D263 PolarHBondContact O-N 3.41Å
260	I	97.3	Very high	94.7	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.082	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-46.1	171.1	-65.1	172.6	0	0	0	110.4	A256 C257 K262 D263 I264 F350 N353 F354 V357	A256-I260 PolarHBondContact O-N 3.15Å; C257-I260 PolarHBondContact O-N 3.47Å; I260-K262 PolarHBondContact O-N 2.99Å; I260-D263 WeakPolarHBondContact O-CB 3.11Å; I260-D263 PolarHBondContact O-N 3.18Å; I260-D263 VanDerWaalsContact O-N 3.07Å; I260-I264 HydrophobicContact CG2-CG2 4.4Å; I260-I264 WeakPolarHBondContact O-CG1 3.41Å; I260-I264 PolarHBondContact O-N 2.88Å; I260-F350 HydrophobicContact CG2-CD2 3.71Å; I260-F350 HydrophobicContact CG2-CE2 4.02Å; I260-N353 HydrophobicContact CD1-CB 4.1Å; I260-N353 WeakPolarHBondContact CD1-O 3.48Å; I260-N353 HydrophobicContact CG1-CB 4.11Å; I260-N353 HydrophobicContact CG2-CB 4.44Å; I260-F354 HydrophobicContact CD1-CB 4.44Å; I260-V357 HydrophobicContact CD1-CG2 3.37Å
261	L	97.8	Very high	95.1	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-42.8	179.6	-174.7	62.7	0	0	0	112.3	C257 N259 D263 I264 S265 L300 I303 K304 L307 F318	C257-L261 WeakPolarHBondContact O-CB 3.43Å; C257-L261 PolarHBondContact O-N 2.99Å; N259-L261 VanDerWaalsContact C-N 3.32Å; N259-L261 PolarHBondContact O-N 3.44Å; L261-D263 VanDerWaalsContact C-N 3.3Å; L261-D263 PolarHBondContact O-N 3.2Å; L261-I264 HydrophobicContact CD1-CD1 4.39Å; L261-S265 WeakPolarHBondContact O-CB 3.42Å; L261-S265 PolarHBondContact O-N 3.32Å; L261-S265 PolarHBondContact O-OG 3.05Å; L261-L300 HydrophobicContact CD1-CD2 3.82Å; L261-I303 HydrophobicContact CD1-CB 4.42Å; L261-I303 HydrophobicContact CD1-CG2 3.91Å; L261-I303 HydrophobicContact CD2-CG2 4.06Å; L261-K304 VanDerWaalsContact CD2-CA 3.48Å; L261-K304 HydrophobicContact CD2-CB 3.78Å; L261-K304 HydrophobicContact CD2-CG 4.3Å; L261-L307 HydrophobicContact CD2-CD2 4.04Å; L261-F318 HydrophobicContact CB-CE2 4.14Å; L261-F318 HydrophobicContact CB-CZ 4.18Å; L261-F318 HydrophobicContact CD1-CE2 4.36Å; L261-F318 HydrophobicContact CD2-CE2 4.24Å; L261-F318 HydrophobicContact CG-CE2 4.49Å
262	K	96.9	Very high	95.5	Very high	116 Å²	116	59.5 Å²	59.5	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-38.7	173.1	-70.4	160	-150.7	148.7	0	111.9	S258 N259 I260 S266	S258-K262 VanDerWaalsContact O-CD 3.29Å; S258-K262 WeakPolarHBondContact O-CD 3.45Å; S258-K262 WeakPolarHBondContact O-CE 3.07Å; S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 3.48Å; S258-K262 PolarHBondContact O-NZ 3.41Å; S258-K262 WeakPolarHBondContact OG-CE 3.4Å; S258-K262 PolarHBondContact OG-NZ 2.92Å; N259-K262 PolarHBondContact O-N 2.79Å; N259-K262 PolarHBondContact OD1-NZ 3.03Å; I260-K262 PolarHBondContact O-N 2.99Å; K262-S266 WeakPolarHBondContact O-CB 3.43Å; K262-S266 PolarHBondContact O-N 2.69Å; K262-S266 VanDerWaalsContact O-N 3.13Å
263	D	96.3	Very high	95.8	Very high	38 Å²	38	54 Å²	54	20%	0.203	26%	0.259	C	S	.	.	H	α-helix	trans	-68.5	-53.1	-177.9	-155.5	60.5	0	0	0	111	N259 I260 L261 S265 S266 R268 Y269	N259-D263 WeakPolarHBondContact O-CB 3.43Å; N259-D263 PolarHBondContact O-N 3.41Å; I260-D263 WeakPolarHBondContact O-CB 3.11Å; I260-D263 PolarHBondContact O-N 3.18Å; I260-D263 VanDerWaalsContact O-N 3.07Å; L261-D263 VanDerWaalsContact C-N 3.3Å; L261-D263 PolarHBondContact O-N 3.2Å; D263-S265 VanDerWaalsContact C-N 3.29Å; D263-S265 PolarHBondContact O-N 2.81Å; D263-S266 WeakPolarHBondContact O-CB 3.18Å; D263-S266 PolarHBondContact O-N 2.89Å; D263-S266 PolarHBondContact O-OG 3.45Å; D263-R268 IonicContact OD1-CZ 2.71Å; D263-R268 IonicContact OD1-NH1 3.71Å; D263-R268 PolarHBondContact OD1-NH1 3.18Å; D263-R268 IonicContact OD1-NH2 3.72Å; D263-R268 PolarHBondContact OD1-NH2 2.73Å; D263-R268 IonicContact OD2-CZ 3.23Å; D263-R268 IonicContact OD2-NH1 2.67Å; D263-R268 PolarHBondContact OD2-NH1 2.69Å; D263-Y269 WeakPolarHBondContact O-CD2 3.22Å; D263-Y269 WeakPolarHBondContact O-CE2 3.13Å; D263-Y269 WeakPolarHBondContact OD2-CE2 3.4Å
264	I	97	Very high	95.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-28.1	178.5	68.9	-177	0	0	0	113	I260 L261 S266 N273 L300 L346 I349 F350	I260-I264 HydrophobicContact CG2-CG2 4.4Å; I260-I264 WeakPolarHBondContact O-CG1 3.41Å; I260-I264 PolarHBondContact O-N 2.88Å; L261-I264 HydrophobicContact CD1-CD1 4.39Å; I264-S266 VanDerWaalsContact C-N 3.31Å; I264-N273 WeakPolarHBondContact O-CB 3.14Å; I264-N273 PolarHBondContact O-ND2 3.1Å; I264-L300 HydrophobicContact CD1-CD2 3.65Å; I264-L300 HydrophobicContact CG1-CD2 3.98Å; I264-L346 HydrophobicContact CB-CD1 4.28Å; I264-I349 HydrophobicContact CG2-CG2 4.44Å; I264-F350 HydrophobicContact CD1-CD2 4.22Å
265	S	96.8	Very high	95.8	Very high	40 Å²	40	62.6 Å²	62.6	28%	0.28	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	0.8	173.4	-47.6	0	0	0	0	113.6	L261 D263	L261-S265 WeakPolarHBondContact O-CB 3.42Å; L261-S265 PolarHBondContact O-N 3.32Å; L261-S265 PolarHBondContact O-OG 3.05Å; D263-S265 VanDerWaalsContact C-N 3.29Å; D263-S265 PolarHBondContact O-N 2.81Å
266	S	95.7	Very high	96	Very high	33 Å²	33	58.9 Å²	58.9	23%	0.231	28%	0.281	C	S	.	.	S	Bend	trans	-79.3	162.2	-176.4	76.1	0	0	0	0	112.9	K262 D263 I264 R268 Y269 N273	K262-S266 WeakPolarHBondContact O-CB 3.43Å; K262-S266 PolarHBondContact O-N 2.69Å; K262-S266 VanDerWaalsContact O-N 3.13Å; D263-S266 WeakPolarHBondContact O-CB 3.18Å; D263-S266 PolarHBondContact O-N 2.89Å; D263-S266 PolarHBondContact O-OG 3.45Å; I264-S266 VanDerWaalsContact C-N 3.31Å; S266-R268 PolarHBondContact O-N 2.73Å; S266-R268 WeakPolarHBondContact OG-CB 3.38Å; S266-R268 PolarHBondContact OG-N 2.83Å; S266-Y269 PolarHBondContact O-N 3.23Å; S266-N273 PolarHBondContact O-ND2 3.33Å
267	Q	93.8	Very high	96.1	Very high	145 Å²	145	60.8 Å²	60.8	68%	0.678	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-58.1	-17.7	172.5	-166.7	65.5	10.4	0	0	113.4	Y269 R270	Q267-Y269 PolarHBondContact O-N 3.15Å; Q267-R270 PolarHBondContact O-N 3.21Å
268	R	95.1	Very high	96	Very high	158 Å²	158	68 Å²	68	60%	0.596	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-62.5	-31.9	177.5	-162.5	-162.1	-57.8	134.1	11.6	112.3	D263 S266	D263-R268 IonicContact OD1-CZ 2.71Å; D263-R268 IonicContact OD1-NH1 3.71Å; D263-R268 PolarHBondContact OD1-NH1 3.18Å; D263-R268 IonicContact OD1-NH2 3.72Å; D263-R268 PolarHBondContact OD1-NH2 2.73Å; D263-R268 IonicContact OD2-CZ 3.23Å; D263-R268 IonicContact OD2-NH1 2.67Å; D263-R268 PolarHBondContact OD2-NH1 2.69Å; S266-R268 PolarHBondContact O-N 2.73Å; S266-R268 WeakPolarHBondContact OG-CB 3.38Å; S266-R268 PolarHBondContact OG-N 2.83Å
269	Y	95.4	Very high	96.1	Very high	44 Å²	44	70.8 Å²	70.8	17%	0.173	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-110.3	25.2	-178.7	-55.5	-69.8	0	0	0	112.4	D263 S266 Q267 D271 L272 N273 L346 I349	D263-Y269 WeakPolarHBondContact O-CD2 3.22Å; D263-Y269 WeakPolarHBondContact O-CE2 3.13Å; D263-Y269 WeakPolarHBondContact OD2-CE2 3.4Å; S266-Y269 PolarHBondContact O-N 3.23Å; Q267-Y269 PolarHBondContact O-N 3.15Å; Y269-D271 PolarHBondContact O-N 3.38Å; Y269-D271 VanDerWaalsContact O-N 3.11Å; Y269-L272 HydrophobicContact CD1-CD1 4.38Å; Y269-L272 CarbonylContact O-C 3.56Å; Y269-L272 WeakPolarHBondContact O-CA 3.33Å; Y269-L272 PolarHBondContact O-N 2.7Å; Y269-N273 WeakPolarHBondContact O-CB 3.32Å; Y269-N273 PolarHBondContact O-N 2.72Å; Y269-N273 PolarHBondContact O-OD1 3.34Å; Y269-L346 HydrophobicContact CG-CD1 4.49Å; Y269-I349 HydrophobicContact CD1-CD1 3.96Å; Y269-I349 HydrophobicContact CE1-CD1 3.78Å; Y269-I349 HydrophobicContact CE1-CG2 4.27Å; Y269-I349 HydrophobicContact CE2-CG2 4.5Å
270	R	94.1	Very high	96	Very high	149 Å²	149	68 Å²	68	56%	0.562	32%	0.323	S	S	*	.	H	α-helix	trans	-44.4	-48	-179.3	-171.2	-158.1	-172.3	-175.1	-0.3	112.4	Q267 L272 N273 H274	Q267-R270 PolarHBondContact O-N 3.21Å; R270-L272 PolarHBondContact O-N 3.01Å; R270-N273 VanDerWaalsContact CA-OD1 3.31Å; R270-N273 WeakPolarHBondContact CA-OD1 3.34Å; R270-N273 PolarHBondContact O-N 2.92Å; R270-N273 PolarHBondContact O-OD1 2.86Å; R270-H274 WeakPolarHBondContact O-CB 3.4Å; R270-H274 PolarHBondContact O-N 3.27Å; R270-H274 PolarHBondContact O-ND1 3.43Å
271	D	94.2	Very high	95.9	Very high	123 Å²	123	71.5 Å²	71.5	66%	0.658	34%	0.342	S	S	*	.	H	α-helix	trans	-70.7	-14	-174.9	-47.1	-28.4	0	0	0	112.7	Y269 H274	Y269-D271 PolarHBondContact O-N 3.38Å; Y269-D271 VanDerWaalsContact O-N 3.11Å; D271-H274 PolarHBondContact O-CE1 3.21Å
272	L	96.3	Very high	95.7	Very high	30 Å²	30	72.5 Å²	72.5	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-108.7	-28.4	176.3	-58.6	-179.5	0	0	0	114.2	Y269 R270 F276 V342 Q345 L346 I349	Y269-L272 HydrophobicContact CD1-CD1 4.38Å; Y269-L272 CarbonylContact O-C 3.56Å; Y269-L272 WeakPolarHBondContact O-CA 3.33Å; Y269-L272 PolarHBondContact O-N 2.7Å; R270-L272 PolarHBondContact O-N 3.01Å; L272-F276 WeakPolarHBondContact O-CD2 3.38Å; L272-V342 HydrophobicContact CB-CG1 4.32Å; L272-V342 HydrophobicContact CD2-CG1 4.09Å; L272-V342 VanDerWaalsContact O-CG1 3.27Å; L272-V342 WeakPolarHBondContact O-CG1 3.47Å; L272-Q345 HydrophobicContact CD1-CB 4.34Å; L272-Q345 HydrophobicContact CD2-CB 4.15Å; L272-L346 HydrophobicContact CB-CB 4.33Å; L272-L346 HydrophobicContact CB-CD1 4.14Å; L272-I349 HydrophobicContact CD1-CD1 3.74Å
273	N	96.7	Very high	95.3	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.011	36%	0.36	C	S	.	.	H	α-helix	trans	-101.4	-13.8	-169.8	72.1	13.3	0	0	0	114.7	I264 S266 Y269 R270 F275 F276 L277 L300 L346	I264-N273 WeakPolarHBondContact O-CB 3.14Å; I264-N273 PolarHBondContact O-ND2 3.1Å; S266-N273 PolarHBondContact O-ND2 3.33Å; Y269-N273 WeakPolarHBondContact O-CB 3.32Å; Y269-N273 PolarHBondContact O-N 2.72Å; Y269-N273 PolarHBondContact O-OD1 3.34Å; R270-N273 VanDerWaalsContact CA-OD1 3.31Å; R270-N273 WeakPolarHBondContact CA-OD1 3.34Å; R270-N273 PolarHBondContact O-N 2.92Å; R270-N273 PolarHBondContact O-OD1 2.86Å; N273-F275 VanDerWaalsContact C-N 3.26Å; N273-F275 PolarHBondContact O-N 3.35Å; N273-F275 VanDerWaalsContact O-N 3.15Å; N273-F276 CarbonylContact O-C 3.53Å; N273-F276 WeakPolarHBondContact O-CA 3.31Å; N273-F276 PolarHBondContact O-N 3.44Å; N273-L277 WeakPolarHBondContact O-CG 3.25Å; N273-L277 PolarHBondContact O-N 3.49Å; N273-L277 VanDerWaalsContact O-N 3.17Å; N273-L300 HydrophobicContact CB-CD1 4.39Å; N273-L346 HydrophobicContact CB-CD2 3.94Å
274	H	94.5	Very high	95.1	Very high	98 Å²	98	74.8 Å²	74.8	45%	0.454	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.9	-172.4	60	-85	0	0	0	114.5	R270 D271 F276	R270-H274 WeakPolarHBondContact O-CB 3.4Å; R270-H274 PolarHBondContact O-N 3.27Å; R270-H274 PolarHBondContact O-ND1 3.43Å; D271-H274 PolarHBondContact O-CE1 3.21Å; H274-F276 PolarHBondContact O-N 3.01Å
275	F	94.9	Very high	94.8	Very high	90 Å²	90	80.1 Å²	80.1	40%	0.395	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.3	172.4	-59	-64.4	0	0	0	114.5	N273 V339 V342	N273-F275 VanDerWaalsContact C-N 3.26Å; N273-F275 PolarHBondContact O-N 3.35Å; N273-F275 VanDerWaalsContact O-N 3.15Å; F275-V339 HydrophobicContact CB-CG1 4.43Å; F275-V339 HydrophobicContact CD1-CG1 4.34Å; F275-V339 HydrophobicContact CD2-CG1 4.01Å; F275-V339 HydrophobicContact CE2-CG1 4.31Å; F275-V339 HydrophobicContact CG-CG1 4.03Å; F275-V339 HydrophobicContact CZ-CG2 4.41Å; F275-V342 HydrophobicContact CD2-CG1 4.08Å; F275-V342 HydrophobicContact CE2-CB 4.48Å; F275-V342 HydrophobicContact CE2-CG1 4.24Å
276	F	97.8	Very high	94.6	Very high	9 Å²	9	80 Å²	80	4%	0.039	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-6.1	-167.3	-58.3	-75.9	0	0	0	113.9	L272 N273 H274 K278 L300 M325 F326 C329 V342 L346	L272-F276 WeakPolarHBondContact O-CD2 3.38Å; N273-F276 CarbonylContact O-C 3.53Å; N273-F276 WeakPolarHBondContact O-CA 3.31Å; N273-F276 PolarHBondContact O-N 3.44Å; H274-F276 PolarHBondContact O-N 3.01Å; F276-K278 VanDerWaalsContact C-N 3.29Å; F276-K278 PolarHBondContact O-N 2.91Å; F276-L300 HydrophobicContact CB-CD1 4.05Å; F276-L300 HydrophobicContact CB-CG 4.27Å; F276-L300 WeakPolarHBondContact O-CB 3.29Å; F276-L300 VanDerWaalsContact O-CG 3.29Å; F276-L300 WeakPolarHBondContact O-CG 3.22Å; F276-L300 PolarHBondContact O-N 2.87Å; F276-M325 HydrophobicContact CB-CE 4.15Å; F276-M325 HydrophobicContact CB-SD 3.87Å; F276-M325 HydrophobicContact CD1-CE 3.99Å; F276-M325 HydrophobicContact CD1-CG 3.76Å; F276-M325 HydrophobicContact CD1-SD 3.99Å; F276-M325 HydrophobicContact CE1-CG 4.46Å; F276-M325 HydrophobicContact CG-CE 4.2Å; F276-M325 HydrophobicContact CG-SD 4.3Å; F276-F326 HydrophobicContact CE1-CD1 4.05Å; F276-F326 HydrophobicContact CE1-CE1 4.24Å; F276-F326 HydrophobicContact CE2-CE1 4.4Å; F276-F326 HydrophobicContact CZ-CD1 4.14Å; F276-F326 HydrophobicContact CZ-CE1 4.18Å; F276-C329 HydrophobicContact CE1-CB 3.83Å; F276-C329 HydrophobicContact CZ-CB 4.24Å; F276-V342 HydrophobicContact CE2-CG1 4.45Å; F276-L346 HydrophobicContact CD2-CD2 3.86Å; F276-L346 HydrophobicContact CE2-CD2 4.4Å; F276-L346 HydrophobicContact CG-CD2 4.43Å
277	L	97.4	Very high	94.4	Very high	65 Å²	65	80.6 Å²	80.6	34%	0.34	41%	0.414	S	S	.	.	S	Bend	trans	-71.2	-17.2	-174	-77.9	174.7	0	0	0	114.8	N273 L300 S301	N273-L277 WeakPolarHBondContact O-CG 3.25Å; N273-L277 PolarHBondContact O-N 3.49Å; N273-L277 VanDerWaalsContact O-N 3.17Å; L277-L300 HydrophobicContact CD2-CD1 4.14Å; L277-S301 WeakPolarHBondContact O-CB 3.36Å
278	K	96.5	Very high	94.2	Very high	153 Å²	153	81.5 Å²	81.5	67%	0.665	42%	0.418	S	S	*	.	S	Bend	trans	-149.4	164.3	-173.6	-70.3	-173.3	179.5	-178	0	110	F276 D299	F276-K278 VanDerWaalsContact C-N 3.29Å; F276-K278 PolarHBondContact O-N 2.91Å; K278-D299 VanDerWaalsContact CA-OD1 3.31Å; K278-D299 WeakPolarHBondContact CA-OD1 3.24Å; K278-D299 VanDerWaalsContact O-CB 3.27Å; K278-D299 WeakPolarHBondContact O-CB 3.43Å
279	P	97	Very high	94.2	Very high	75 Å²	75	77.5 Å²	77.5	49%	0.487	41%	0.408	S	S	.	.			trans	-54	148.5	166.1	-22.9	32.8	0	0	0	111.5	D281 D299	P279-D281 PolarHBondContact O-N 3.37Å; P279-D299 VanDerWaalsContact CD-CG 3.49Å; P279-D299 WeakPolarHBondContact CD-OD1 3.47Å; P279-D299 WeakPolarHBondContact CD-OD2 3.4Å; P279-D299 WeakPolarHBondContact CG-OD2 3.41Å; P279-D299 VanDerWaalsContact N-CG 3.28Å
280	V	95.4	Very high	94.2	Very high	38 Å²	38	76.2 Å²	76.2	23%	0.23	40%	0.403	C	S	.	.			trans	-67.4	122.3	177	177.4	0	0	0	0	109.7	V282 L285 L287 Y290	V280-V282 VanDerWaalsContact C-N 3.34Å; V280-V282 HydrophobicContact CG1-CG1 4.22Å; V280-V282 PolarHBondContact O-N 3.07Å; V280-L285 HydrophobicContact CG1-CD1 4.1Å; V280-L287 HydrophobicContact CG1-CD1 3.86Å; V280-Y290 HydrophobicContact CB-CD1 4.42Å; V280-Y290 HydrophobicContact CB-CE1 3.97Å; V280-Y290 HydrophobicContact CB-CE2 4.25Å; V280-Y290 HydrophobicContact CG1-CD2 4.25Å; V280-Y290 HydrophobicContact CG1-CE1 4.46Å; V280-Y290 HydrophobicContact CG1-CE2 4.2Å; V280-Y290 HydrophobicContact CG1-CG 4.41Å; V280-Y290 HydrophobicContact CG2-CE1 4.18Å; V280-Y290 HydrophobicContact CG2-CE2 3.94Å; V280-Y290 WeakPolarHBondContact CG2-OH 3.27Å
281	D	93.7	Very high	94.3	Very high	90 Å²	90	74.5 Å²	74.5	48%	0.481	40%	0.397	S	S	.	.			trans	-81	82.9	176	-166.1	-27.6	0	0	0	109.8	P279 V283 A284 L285	P279-D281 PolarHBondContact O-N 3.37Å; D281-V283 PolarHBondContact O-N 2.92Å; D281-V283 PolarHBondContact OD1-N 2.95Å; D281-A284 HydrophobicContact CB-CB 4.08Å; D281-A284 VanDerWaalsContact CG-CB 3.4Å; D281-A284 PolarHBondContact O-N 3.01Å; D281-A284 WeakPolarHBondContact OD1-CB 3.18Å; D281-A284 PolarHBondContact OD1-N 3.35Å; D281-L285 WeakPolarHBondContact O-CB 3.35Å; D281-L285 WeakPolarHBondContact O-CG 3.37Å; D281-L285 PolarHBondContact O-N 3.35Å
282	V	94.1	Very high	94.4	Very high	26 Å²	26	74 Å²	74	16%	0.158	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.2	-176.9	-57.7	0	0	0	0	113.1	V280 G286 L287 Y290 Y291	V280-V282 VanDerWaalsContact C-N 3.34Å; V280-V282 HydrophobicContact CG1-CG1 4.22Å; V280-V282 PolarHBondContact O-N 3.07Å; V282-G286 CarbonylContact O-C 3.56Å; V282-G286 PolarHBondContact O-N 2.68Å; V282-G286 VanDerWaalsContact O-N 3.1Å; V282-L287 HydrophobicContact CB-CB 4.41Å; V282-L287 PolarHBondContact O-N 2.88Å; V282-Y290 HydrophobicContact CG1-CD1 3.72Å; V282-Y290 HydrophobicContact CG1-CG 3.89Å; V282-Y291 HydrophobicContact CB-CE2 4.28Å; V282-Y291 HydrophobicContact CG1-CD2 4.09Å; V282-Y291 HydrophobicContact CG1-CE2 3.55Å; V282-Y291 HydrophobicContact CG2-CD2 4.33Å; V282-Y291 HydrophobicContact CG2-CE2 3.72Å
283	V	89.6	Confident	94.4	Very high	125 Å²	125	74.4 Å²	74.4	76%	0.758	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-47.5	-179.5	-176.6	0	0	0	0	110.1	D281 L285 G286	D281-V283 PolarHBondContact O-N 2.92Å; D281-V283 PolarHBondContact OD1-N 2.95Å; V283-L285 PolarHBondContact O-N 3.05Å; V283-G286 PolarHBondContact O-N 2.71Å
284	A	90.8	Very high	94.3	Very high	77 Å²	77	74.4 Å²	74.4	64%	0.636	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.7	178	0	0	0	0	0	113.6	D281	D281-A284 HydrophobicContact CB-CB 4.08Å; D281-A284 VanDerWaalsContact CG-CB 3.4Å; D281-A284 PolarHBondContact O-N 3.01Å; D281-A284 WeakPolarHBondContact OD1-CB 3.18Å; D281-A284 PolarHBondContact OD1-N 3.35Å
285	L	91.4	Very high	94.4	Very high	112 Å²	112	77 Å²	77	59%	0.586	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-5.9	179.8	-62.5	172.4	0	0	0	114.2	V280 D281 V283 L287	V280-L285 HydrophobicContact CG1-CD1 4.1Å; D281-L285 WeakPolarHBondContact O-CB 3.35Å; D281-L285 WeakPolarHBondContact O-CG 3.37Å; D281-L285 PolarHBondContact O-N 3.35Å; V283-L285 PolarHBondContact O-N 3.05Å; L285-L287 VanDerWaalsContact C-N 3.3Å; L285-L287 HydrophobicContact CB-CD1 3.76Å; L285-L287 HydrophobicContact CB-CD2 4.45Å; L285-L287 HydrophobicContact CB-CG 3.63Å; L285-L287 HydrophobicContact CD1-CD1 3.89Å; L285-L287 HydrophobicContact CG-CD1 4.49Å; L285-L287 PolarHBondContact O-N 3.37Å
286	G	91.8	Very high	94.4	Very high	38 Å²	38	77.8 Å²	77.8	39%	0.392	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	22	-178.2	0	0	0	0	0	115	V282 V283 H288	V282-G286 CarbonylContact O-C 3.56Å; V282-G286 PolarHBondContact O-N 2.68Å; V282-G286 VanDerWaalsContact O-N 3.1Å; V283-G286 PolarHBondContact O-N 2.71Å; G286-H288 VanDerWaalsContact C-N 3.31Å; G286-H288 PolarHBondContact O-CD2 3.43Å; G286-H288 PolarHBondContact O-N 2.95Å; G286-H288 VanDerWaalsContact O-N 3.09Å
287	L	91	Very high	94.4	Very high	45 Å²	45	79.2 Å²	79.2	24%	0.236	43%	0.425	C	S	.	.			trans	-89.8	63	-172.4	-54.2	178.7	0	0	0	111.1	V280 V282 L285 D289 Y290 Y332	V280-L287 HydrophobicContact CG1-CD1 3.86Å; V282-L287 HydrophobicContact CB-CB 4.41Å; V282-L287 PolarHBondContact O-N 2.88Å; L285-L287 VanDerWaalsContact C-N 3.3Å; L285-L287 HydrophobicContact CB-CD1 3.76Å; L285-L287 HydrophobicContact CB-CD2 4.45Å; L285-L287 HydrophobicContact CB-CG 3.63Å; L285-L287 HydrophobicContact CD1-CD1 3.89Å; L285-L287 HydrophobicContact CG-CD1 4.49Å; L285-L287 PolarHBondContact O-N 3.37Å; L287-D289 PolarHBondContact O-N 2.81Å; L287-Y290 VanDerWaalsContact O-CB 3.26Å; L287-Y290 WeakPolarHBondContact O-CB 3.23Å; L287-Y290 PolarHBondContact O-N 2.86Å; L287-Y290 VanDerWaalsContact O-N 3.11Å; L287-Y332 HydrophobicContact CD1-CE1 4.16Å; L287-Y332 HydrophobicContact CD2-CE1 4.36Å
288	H	89.9	Confident	94.4	Very high	165 Å²	165	77.1 Å²	77.1	76%	0.764	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.3	-172.2	-60.5	-71.6	0	0	0	113.5	G286	G286-H288 VanDerWaalsContact C-N 3.31Å; G286-H288 PolarHBondContact O-CD2 3.43Å; G286-H288 PolarHBondContact O-N 2.95Å; G286-H288 VanDerWaalsContact O-N 3.09Å
289	D	95.7	Very high	94.5	Very high	73 Å²	73	70 Å²	70	39%	0.39	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.2	-179.9	73.1	-42.4	0	0	0	114.1	L287 Y291 D292 V293 Y332	L287-D289 PolarHBondContact O-N 2.81Å; D289-Y291 VanDerWaalsContact C-N 3.3Å; D289-Y291 PolarHBondContact O-N 2.9Å; D289-D292 WeakPolarHBondContact O-CA 3.37Å; D289-D292 WeakPolarHBondContact O-CB 3.48Å; D289-D292 PolarHBondContact O-N 2.69Å; D289-V293 PolarHBondContact O-N 3.12Å; D289-Y332 PolarHBondContact OD1-OH 2.77Å; D289-Y332 WeakPolarHBondContact OD2-CE2 3.41Å
290	Y	95.8	Very high	94.6	Very high	17 Å²	17	66.6 Å²	66.6	7%	0.067	36%	0.361	C	S	.	.	H	α-helix	trans	-56.6	-42.1	-170.1	-179	-95.1	0	0	0	112.9	V280 V282 L287 D292 V293 V294 A297 Y332	V280-Y290 HydrophobicContact CB-CD1 4.42Å; V280-Y290 HydrophobicContact CB-CE1 3.97Å; V280-Y290 HydrophobicContact CB-CE2 4.25Å; V280-Y290 HydrophobicContact CG1-CD2 4.25Å; V280-Y290 HydrophobicContact CG1-CE1 4.46Å; V280-Y290 HydrophobicContact CG1-CE2 4.2Å; V280-Y290 HydrophobicContact CG1-CG 4.41Å; V280-Y290 HydrophobicContact CG2-CE1 4.18Å; V280-Y290 HydrophobicContact CG2-CE2 3.94Å; V280-Y290 WeakPolarHBondContact CG2-OH 3.27Å; V282-Y290 HydrophobicContact CG1-CD1 3.72Å; V282-Y290 HydrophobicContact CG1-CG 3.89Å; L287-Y290 VanDerWaalsContact O-CB 3.26Å; L287-Y290 WeakPolarHBondContact O-CB 3.23Å; L287-Y290 PolarHBondContact O-N 2.86Å; L287-Y290 VanDerWaalsContact O-N 3.11Å; Y290-D292 VanDerWaalsContact C-N 3.33Å; Y290-V293 PolarHBondContact O-N 3.05Å; Y290-V294 HydrophobicContact CD1-CB 4.4Å; Y290-V294 HydrophobicContact CD2-CG2 4.18Å; Y290-V294 HydrophobicContact CE1-CB 4.01Å; Y290-V294 HydrophobicContact CE1-CG1 4.17Å; Y290-V294 HydrophobicContact CE1-CG2 4.35Å; Y290-V294 HydrophobicContact CE2-CB 4.34Å; Y290-V294 HydrophobicContact CE2-CG2 3.77Å; Y290-V294 WeakPolarHBondContact O-CA 3.42Å; Y290-V294 WeakPolarHBondContact O-CB 3.4Å; Y290-V294 PolarHBondContact O-N 3.24Å; Y290-A297 HydrophobicContact CE1-CB 4.29Å; Y290-Y332 AromaticContact CD2-CD1 3.78Å; Y290-Y332 HydrophobicContact CD2-CD1 3.78Å; Y290-Y332 AromaticContact CD2-CD2 3.82Å; Y290-Y332 HydrophobicContact CD2-CD2 3.82Å; Y290-Y332 AromaticContact CD2-CE1 3.86Å; Y290-Y332 HydrophobicContact CD2-CE1 3.86Å; Y290-Y332 AromaticContact CD2-CE2 3.91Å; Y290-Y332 HydrophobicContact CD2-CE2 3.91Å; Y290-Y332 AromaticContact CD2-CG 3.76Å; Y290-Y332 HydrophobicContact CD2-CG 3.76Å; Y290-Y332 AromaticContact CD2-CZ 3.94Å; Y290-Y332 HydrophobicContact CE2-CD1 4.08Å; Y290-Y332 HydrophobicContact CE2-CD2 4.44Å; Y290-Y332 HydrophobicContact CE2-CG 4.02Å; Y290-Y332 HydrophobicContact CG-CE2 4.48Å
291	Y	96.1	Very high	94.7	Very high	113 Å²	113	66.9 Å²	66.9	44%	0.443	37%	0.365	S	S	.	.	H	α-helix	trans	-79.5	-14.8	178.1	-67.1	-61.3	0	0	0	113.6	V282 D289 A297	V282-Y291 HydrophobicContact CB-CE2 4.28Å; V282-Y291 HydrophobicContact CG1-CD2 4.09Å; V282-Y291 HydrophobicContact CG1-CE2 3.55Å; V282-Y291 HydrophobicContact CG2-CD2 4.33Å; V282-Y291 HydrophobicContact CG2-CE2 3.72Å; D289-Y291 VanDerWaalsContact C-N 3.3Å; D289-Y291 PolarHBondContact O-N 2.9Å; Y291-A297 HydrophobicContact CE1-CB 4.01Å
292	D	96.1	Very high	94.9	Very high	112 Å²	112	64.9 Å²	64.9	60%	0.599	36%	0.356	S	S	*	.	H	α-helix	trans	-75.6	-39.9	169.8	-72.9	-50.4	0	0	0	111.5	D289 Y290 K295	D289-D292 WeakPolarHBondContact O-CA 3.37Å; D289-D292 WeakPolarHBondContact O-CB 3.48Å; D289-D292 PolarHBondContact O-N 2.69Å; Y290-D292 VanDerWaalsContact C-N 3.33Å; D292-K295 WeakPolarHBondContact O-CE 3.18Å; D292-K295 PolarHBondContact O-NZ 2.86Å; D292-K295 IonicContact OD1-NZ 3.54Å
293	V	95.4	Very high	95.1	Very high	39 Å²	39	63.6 Å²	63.6	24%	0.236	35%	0.348	C	S	.	.	H	α-helix	trans	-78.3	-47.6	174.1	-177.3	0	0	0	0	111.7	D289 Y290 K295 K331 Y332	D289-V293 PolarHBondContact O-N 3.12Å; Y290-V293 PolarHBondContact O-N 3.05Å; V293-K295 PolarHBondContact O-N 3.42Å; V293-K331 HydrophobicContact CG1-CD 4.08Å; V293-K331 HydrophobicContact CG1-CG 4Å; V293-K331 WeakPolarHBondContact O-CE 3.49Å; V293-K331 PolarHBondContact O-NZ 3.33Å; V293-Y332 HydrophobicContact CB-CD2 3.88Å; V293-Y332 HydrophobicContact CB-CE2 4.44Å; V293-Y332 HydrophobicContact CG1-CD2 4.08Å; V293-Y332 HydrophobicContact CG2-CD2 4.16Å; V293-Y332 HydrophobicContact CG2-CE2 4.34Å
294	V	95.7	Very high	95.5	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	33%	0.333	C	S	.	.			trans	-99.7	86.3	-170.9	-176	0	0	0	0	111.4	Y290 K296 A297 N328 Y332	Y290-V294 HydrophobicContact CD1-CB 4.4Å; Y290-V294 HydrophobicContact CD2-CG2 4.18Å; Y290-V294 HydrophobicContact CE1-CB 4.01Å; Y290-V294 HydrophobicContact CE1-CG1 4.17Å; Y290-V294 HydrophobicContact CE1-CG2 4.35Å; Y290-V294 HydrophobicContact CE2-CB 4.34Å; Y290-V294 HydrophobicContact CE2-CG2 3.77Å; Y290-V294 WeakPolarHBondContact O-CA 3.42Å; Y290-V294 WeakPolarHBondContact O-CB 3.4Å; Y290-V294 PolarHBondContact O-N 3.24Å; V294-K296 VanDerWaalsContact C-N 3.33Å; V294-K296 PolarHBondContact O-N 3.06Å; V294-A297 HydrophobicContact CG1-CB 4.39Å; V294-N328 HydrophobicContact CG1-CB 3.79Å; V294-N328 VanDerWaalsContact CG1-CG 3.44Å; V294-N328 HydrophobicContact CG2-CB 4.48Å; V294-Y332 HydrophobicContact CG2-CD2 4.33Å; V294-Y332 HydrophobicContact CG2-CG 4.39Å
295	K	96.3	Very high	95.8	Very high	152 Å²	152	63 Å²	63	66%	0.661	33%	0.329	S	S	*	.	S	Bend	trans	-69.5	-18.8	-175.1	-58.3	-48.8	-161.6	-165.8	0	115.8	D292 V293	D292-K295 WeakPolarHBondContact O-CE 3.18Å; D292-K295 PolarHBondContact O-NZ 2.86Å; D292-K295 IonicContact OD1-NZ 3.54Å; V293-K295 PolarHBondContact O-N 3.42Å
296	K	95.6	Very high	96	Very high	107 Å²	107	59.7 Å²	59.7	47%	0.465	31%	0.309	S	S	.	.	S	Bend	trans	-138.7	81.1	174.3	-173.2	-170.4	157.2	-158.5	0	109.5	V294 D321 L324 N328	V294-K296 VanDerWaalsContact C-N 3.33Å; V294-K296 PolarHBondContact O-N 3.06Å; K296-D321 IonicContact NZ-OD1 3.93Å; K296-D321 PolarHBondContact NZ-OD1 3.38Å; K296-L324 HydrophobicContact CB-CD2 4.26Å; K296-L324 HydrophobicContact CD-CD2 3.4Å; K296-L324 HydrophobicContact CG-CD2 3.8Å; K296-L324 VanDerWaalsContact NZ-CD2 3.28Å; K296-N328 PolarHBondContact O-ND2 3.16Å
297	A	96.7	Very high	96.2	Very high	39 Å²	39	58 Å²	58	32%	0.322	29%	0.291	S	S	.	.			trans	-56.8	147.3	175.8	0	0	0	0	0	111.7	Y290 Y291 V294	Y290-A297 HydrophobicContact CE1-CB 4.29Å; Y291-A297 HydrophobicContact CE1-CB 4.01Å; V294-A297 HydrophobicContact CG1-CB 4.39Å
298	M	98.2	Very high	96.3	Very high	21 Å²	21	61.5 Å²	61.5	10%	0.103	31%	0.306	C	S	.	.			trans	-158.4	145.1	-177.4	-169.3	54.2	58.7	0	0	110.5	T302 I303 D321 L324 M325	M298-T302 HydrophobicContact CE-CG2 4.13Å; M298-T302 HydrophobicContact SD-CG2 3.64Å; M298-I303 HydrophobicContact CG-CD1 3.95Å; M298-I303 HydrophobicContact CG-CG1 3.87Å; M298-I303 HydrophobicContact SD-CD1 4.36Å; M298-I303 HydrophobicContact SD-CG1 3.62Å; M298-D321 HydrophobicContact CE-CB 4.39Å; M298-D321 HydrophobicContact CG-CB 4.08Å; M298-D321 WeakPolarHBondContact CG-O 3.49Å; M298-D321 HydrophobicContact SD-CB 4.18Å; M298-L324 HydrophobicContact CB-CD2 4.09Å; M298-L324 HydrophobicContact CB-CG 4.22Å; M298-M325 HydrophobicContact CB-CB 4.23Å; M298-M325 HydrophobicContact CG-CB 4.26Å; M298-M325 WeakPolarHBondContact O-CG 3.5Å
299	D	98.3	Very high	96.3	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	28%	0.284	C	S	.	.			trans	-154.2	166.3	-177	74.2	95.8	0	0	0	111.6	K278 P279 S301 T302 I303	K278-D299 VanDerWaalsContact CA-OD1 3.31Å; K278-D299 WeakPolarHBondContact CA-OD1 3.24Å; K278-D299 VanDerWaalsContact O-CB 3.27Å; K278-D299 WeakPolarHBondContact O-CB 3.43Å; P279-D299 VanDerWaalsContact CD-CG 3.49Å; P279-D299 WeakPolarHBondContact CD-OD1 3.47Å; P279-D299 WeakPolarHBondContact CD-OD2 3.4Å; P279-D299 WeakPolarHBondContact CG-OD2 3.41Å; P279-D299 VanDerWaalsContact N-CG 3.28Å; D299-S301 VanDerWaalsContact C-N 3.31Å; D299-S301 PolarHBondContact O-N 2.97Å; D299-S301 VanDerWaalsContact OD1-CA 3.31Å; D299-S301 WeakPolarHBondContact OD1-CA 3.45Å; D299-S301 VanDerWaalsContact OD1-CB 3.28Å; D299-S301 WeakPolarHBondContact OD1-CB 3.4Å; D299-S301 PolarHBondContact OD1-N 2.91Å; D299-S301 PolarHBondContact OD1-OG 3.03Å; D299-T302 PolarHBondContact O-N 3.44Å; D299-T302 PolarHBondContact OD1-N 3.17Å; D299-T302 VanDerWaalsContact OD1-N 3.08Å; D299-T302 WeakPolarHBondContact OD2-CB 3.49Å; D299-T302 PolarHBondContact OD2-OG1 3.42Å; D299-I303 VanDerWaalsContact O-CG1 3.25Å; D299-I303 WeakPolarHBondContact O-CG1 3.34Å; D299-I303 PolarHBondContact O-N 3.39Å
300	L	98.3	Very high	96.1	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-30.3	-175.7	-64.2	172.1	0	0	0	114	L261 I264 N273 F276 L277 K304 M325	L261-L300 HydrophobicContact CD1-CD2 3.82Å; I264-L300 HydrophobicContact CD1-CD2 3.65Å; I264-L300 HydrophobicContact CG1-CD2 3.98Å; N273-L300 HydrophobicContact CB-CD1 4.39Å; F276-L300 HydrophobicContact CB-CD1 4.05Å; F276-L300 HydrophobicContact CB-CG 4.27Å; F276-L300 WeakPolarHBondContact O-CB 3.29Å; F276-L300 VanDerWaalsContact O-CG 3.29Å; F276-L300 WeakPolarHBondContact O-CG 3.22Å; F276-L300 PolarHBondContact O-N 2.87Å; L277-L300 HydrophobicContact CD2-CD1 4.14Å; L300-K304 VanDerWaalsContact O-CB 3.28Å; L300-K304 WeakPolarHBondContact O-CB 3.35Å; L300-K304 PolarHBondContact O-N 3.28Å; L300-M325 HydrophobicContact CD2-CE 3.94Å; L300-M325 HydrophobicContact CD2-SD 3.9Å; L300-M325 HydrophobicContact CG-CE 4.27Å; L300-M325 HydrophobicContact CG-SD 3.81Å
301	S	97.7	Very high	96	Very high	44 Å²	44	56.8 Å²	56.8	31%	0.308	29%	0.293	S	S	.	.	H	α-helix	trans	-76.9	-35.5	176.7	77.3	0	0	0	0	112.3	L277 D299 K304 T305	L277-S301 WeakPolarHBondContact O-CB 3.36Å; D299-S301 VanDerWaalsContact C-N 3.31Å; D299-S301 PolarHBondContact O-N 2.97Å; D299-S301 VanDerWaalsContact OD1-CA 3.31Å; D299-S301 WeakPolarHBondContact OD1-CA 3.45Å; D299-S301 VanDerWaalsContact OD1-CB 3.28Å; D299-S301 WeakPolarHBondContact OD1-CB 3.4Å; D299-S301 PolarHBondContact OD1-N 2.91Å; D299-S301 PolarHBondContact OD1-OG 3.03Å; S301-K304 PolarHBondContact O-N 3.26Å; S301-T305 WeakPolarHBondContact O-CB 3.17Å; S301-T305 PolarHBondContact O-N 3.09Å; S301-T305 PolarHBondContact O-OG1 3.13Å
302	T	98.1	Very high	95.9	Very high	48 Å²	48	51.8 Å²	51.8	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-48.3	169.6	-64	0	0	0	0	110.9	M298 D299 K304 T305 K306	M298-T302 HydrophobicContact CE-CG2 4.13Å; M298-T302 HydrophobicContact SD-CG2 3.64Å; D299-T302 PolarHBondContact O-N 3.44Å; D299-T302 PolarHBondContact OD1-N 3.17Å; D299-T302 VanDerWaalsContact OD1-N 3.08Å; D299-T302 WeakPolarHBondContact OD2-CB 3.49Å; D299-T302 PolarHBondContact OD2-OG1 3.42Å; T302-K304 VanDerWaalsContact C-N 3.28Å; T302-K304 PolarHBondContact O-N 2.99Å; T302-T305 WeakPolarHBondContact O-CB 3.44Å; T302-T305 PolarHBondContact O-N 3.43Å; T302-K306 HydrophobicContact CG2-CG 4.48Å; T302-K306 WeakPolarHBondContact O-CG 3.37Å; T302-K306 PolarHBondContact O-N 3.28Å
303	I	98.5	Very high	95.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-42.3	176.4	-66	163.1	0	0	0	110.7	L261 M298 D299 K306 L307 Y312 F318 D321 V322 M325	L261-I303 HydrophobicContact CD1-CB 4.42Å; L261-I303 HydrophobicContact CD1-CG2 3.91Å; L261-I303 HydrophobicContact CD2-CG2 4.06Å; M298-I303 HydrophobicContact CG-CD1 3.95Å; M298-I303 HydrophobicContact CG-CG1 3.87Å; M298-I303 HydrophobicContact SD-CD1 4.36Å; M298-I303 HydrophobicContact SD-CG1 3.62Å; D299-I303 VanDerWaalsContact O-CG1 3.25Å; D299-I303 WeakPolarHBondContact O-CG1 3.34Å; D299-I303 PolarHBondContact O-N 3.39Å; I303-K306 PolarHBondContact O-N 2.82Å; I303-L307 WeakPolarHBondContact O-CB 3.29Å; I303-L307 PolarHBondContact O-N 3.02Å; I303-Y312 HydrophobicContact CG2-CE2 4.21Å; I303-F318 HydrophobicContact CG2-CD2 3.78Å; I303-F318 HydrophobicContact CG2-CE2 3.63Å; I303-D321 HydrophobicContact CG1-CB 4.14Å; I303-V322 HydrophobicContact CD1-CB 4.43Å; I303-V322 HydrophobicContact CD1-CG2 3.87Å; I303-V322 HydrophobicContact CG2-CG2 4.16Å; I303-M325 HydrophobicContact CD1-SD 4.2Å
304	K	97.5	Very high	95.6	Very high	102 Å²	102	53.7 Å²	53.7	44%	0.443	28%	0.28	S	S	.	.	H	α-helix	trans	-60	-47	174	-175.9	-169.3	168.4	-162.7	0	111.8	L261 L300 S301 T302 K306 L307 E308	L261-K304 VanDerWaalsContact CD2-CA 3.48Å; L261-K304 HydrophobicContact CD2-CB 3.78Å; L261-K304 HydrophobicContact CD2-CG 4.3Å; L300-K304 VanDerWaalsContact O-CB 3.28Å; L300-K304 WeakPolarHBondContact O-CB 3.35Å; L300-K304 PolarHBondContact O-N 3.28Å; S301-K304 PolarHBondContact O-N 3.26Å; T302-K304 VanDerWaalsContact C-N 3.28Å; T302-K304 PolarHBondContact O-N 2.99Å; K304-K306 VanDerWaalsContact C-N 3.33Å; K304-K306 PolarHBondContact O-N 3.28Å; K304-L307 PolarHBondContact O-N 3.07Å; K304-E308 WeakPolarHBondContact CE-OE1 3.43Å; K304-E308 VanDerWaalsContact CE-OE2 3.31Å; K304-E308 WeakPolarHBondContact CE-OE2 3.3Å; K304-E308 HydrophobicContact CG-CG 4.37Å; K304-E308 IonicContact NZ-OE1 2.69Å; K304-E308 IonicContact NZ-OE2 2.72Å; K304-E308 WeakPolarHBondContact O-CB 3.2Å; K304-E308 WeakPolarHBondContact O-CG 3.35Å; K304-E308 PolarHBondContact O-N 3.09Å
305	T	96.8	Very high	95.5	Very high	88 Å²	88	54.1 Å²	54.1	54%	0.54	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-40.3	179.5	-55.7	0	0	0	0	111.5	S301 T302 S309	S301-T305 WeakPolarHBondContact O-CB 3.17Å; S301-T305 PolarHBondContact O-N 3.09Å; S301-T305 PolarHBondContact O-OG1 3.13Å; T302-T305 WeakPolarHBondContact O-CB 3.44Å; T302-T305 PolarHBondContact O-N 3.43Å; T305-S309 WeakPolarHBondContact O-CB 3.16Å; T305-S309 PolarHBondContact O-N 2.74Å; T305-S309 PolarHBondContact O-OG 3.21Å
306	K	97.4	Very high	95.5	Very high	41 Å²	41	52.5 Å²	52.5	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-44.3	173.9	-72.5	-165.3	62.2	179.1	0	112.6	T302 I303 K304 S309 G310 Q311 Y312 D321	T302-K306 HydrophobicContact CG2-CG 4.48Å; T302-K306 WeakPolarHBondContact O-CG 3.37Å; T302-K306 PolarHBondContact O-N 3.28Å; I303-K306 PolarHBondContact O-N 2.82Å; K304-K306 VanDerWaalsContact C-N 3.33Å; K304-K306 PolarHBondContact O-N 3.28Å; K306-S309 PolarHBondContact O-N 2.73Å; K306-S309 PolarHBondContact O-OG 3.49Å; K306-G310 PolarHBondContact O-N 2.85Å; K306-Q311 HydrophobicContact CB-CB 4.11Å; K306-Q311 HydrophobicContact CG-CB 4.41Å; K306-Q311 PolarHBondContact O-N 3.17Å; K306-Y312 HydrophobicContact CB-CD2 4.29Å; K306-Y312 HydrophobicContact CB-CE1 4.34Å; K306-Y312 HydrophobicContact CB-CE2 3.53Å; K306-Y312 HydrophobicContact CD-CE1 4.36Å; K306-D321 WeakPolarHBondContact CD-OD2 3.16Å; K306-D321 WeakPolarHBondContact CE-OD2 3.36Å; K306-D321 IonicContact NZ-OD2 3.16Å; K306-D321 PolarHBondContact NZ-OD2 3.08Å
307	L	95.5	Very high	95.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-41.7	177.8	-175.6	61.6	0	0	0	112.5	L250 L254 L261 I303 K304 S309 G310 Y312 F318	L250-L307 HydrophobicContact CD1-CD1 4.21Å; L250-L307 HydrophobicContact CD1-CG 4.32Å; L250-L307 HydrophobicContact CD2-CD1 4.22Å; L254-L307 HydrophobicContact CB-CD1 4.36Å; L254-L307 HydrophobicContact CD2-CD1 3.87Å; L261-L307 HydrophobicContact CD2-CD2 4.04Å; I303-L307 WeakPolarHBondContact O-CB 3.29Å; I303-L307 PolarHBondContact O-N 3.02Å; K304-L307 PolarHBondContact O-N 3.07Å; L307-S309 VanDerWaalsContact C-N 3.33Å; L307-G310 PolarHBondContact O-N 3.25Å; L307-Y312 HydrophobicContact CB-CD2 3.86Å; L307-Y312 HydrophobicContact CB-CE2 4.01Å; L307-Y312 HydrophobicContact CD1-CD2 3.98Å; L307-F318 HydrophobicContact CD2-CD2 4.44Å; L307-F318 HydrophobicContact CD2-CE2 4.37Å
308	E	92	Very high	95.6	Very high	119 Å²	119	47.9 Å²	47.9	56%	0.556	25%	0.247	S	C	*	.	H	α-helix	trans	-72.3	-25.1	178.9	-71.4	-179.2	167.4	0	0	113	K304	K304-E308 WeakPolarHBondContact CE-OE1 3.43Å; K304-E308 VanDerWaalsContact CE-OE2 3.31Å; K304-E308 WeakPolarHBondContact CE-OE2 3.3Å; K304-E308 HydrophobicContact CG-CG 4.37Å; K304-E308 IonicContact NZ-OE1 2.69Å; K304-E308 IonicContact NZ-OE2 2.72Å; K304-E308 WeakPolarHBondContact O-CB 3.2Å; K304-E308 WeakPolarHBondContact O-CG 3.35Å; K304-E308 PolarHBondContact O-N 3.09Å
309	S	91.4	Very high	95.6	Very high	41 Å²	41	46.9 Å²	46.9	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-89.4	-11.2	173.3	56.6	0	0	0	0	114.9	T305 K306 L307 Q311	T305-S309 WeakPolarHBondContact O-CB 3.16Å; T305-S309 PolarHBondContact O-N 2.74Å; T305-S309 PolarHBondContact O-OG 3.21Å; K306-S309 PolarHBondContact O-N 2.73Å; K306-S309 PolarHBondContact O-OG 3.49Å; L307-S309 VanDerWaalsContact C-N 3.33Å; S309-Q311 PolarHBondContact OG-NE2 2.94Å
310	G	90.7	Very high	95.6	Very high	22 Å²	22	51.1 Å²	51.1	23%	0.227	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	22.6	176.2	0	0	0	0	0	115.9	K306 L307 Y312	K306-G310 PolarHBondContact O-N 2.85Å; L307-G310 PolarHBondContact O-N 3.25Å; G310-Y312 PolarHBondContact O-N 3.37Å
311	Q	93.3	Very high	95.6	Very high	93 Å²	93	51.2 Å²	51.2	44%	0.435	27%	0.266	S	S	.	.			trans	-79.2	4.6	179	-63.5	176	49.3	0	0	114.2	K306 S309	K306-Q311 HydrophobicContact CB-CB 4.11Å; K306-Q311 HydrophobicContact CG-CB 4.41Å; K306-Q311 PolarHBondContact O-N 3.17Å; S309-Q311 PolarHBondContact OG-NE2 2.94Å
312	Y	95.3	Very high	95.6	Very high	8 Å²	8	49.1 Å²	49.1	3%	0.031	25%	0.251	C	S	.	.			trans	-116.5	121	171.4	-57.6	-52.6	0	0	0	107.5	L254 I303 K306 L307 G310 D317 F318 D321	L254-Y312 VanDerWaalsContact CD1-O 3.32Å; L254-Y312 WeakPolarHBondContact CD1-O 3.29Å; I303-Y312 HydrophobicContact CG2-CE2 4.21Å; K306-Y312 HydrophobicContact CB-CD2 4.29Å; K306-Y312 HydrophobicContact CB-CE1 4.34Å; K306-Y312 HydrophobicContact CB-CE2 3.53Å; K306-Y312 HydrophobicContact CD-CE1 4.36Å; L307-Y312 HydrophobicContact CB-CD2 3.86Å; L307-Y312 HydrophobicContact CB-CE2 4.01Å; L307-Y312 HydrophobicContact CD1-CD2 3.98Å; G310-Y312 PolarHBondContact O-N 3.37Å; Y312-D317 VanDerWaalsContact CD1-C 3.47Å; Y312-D317 HydrophobicContact CD1-CB 3.73Å; Y312-D317 WeakPolarHBondContact CD1-O 3.33Å; Y312-D317 VanDerWaalsContact CE1-O 3.29Å; Y312-D317 WeakPolarHBondContact CE1-O 3.43Å; Y312-D317 HydrophobicContact CG-CB 4.4Å; Y312-F318 HydrophobicContact CD1-CB 4.29Å; Y312-F318 HydrophobicContact CD2-CB 3.87Å; Y312-F318 HydrophobicContact CD2-CD2 4.21Å; Y312-F318 HydrophobicContact CE2-CB 4.22Å; Y312-F318 HydrophobicContact CE2-CD2 4.01Å; Y312-F318 HydrophobicContact CG-CB 3.91Å; Y312-D321 HydrophobicContact CE1-CB 4.26Å; Y312-D321 VanDerWaalsContact CE1-OD2 3.23Å; Y312-D321 WeakPolarHBondContact CE1-OD2 3.42Å; Y312-D321 WeakPolarHBondContact OH-CB 3Å; Y312-D321 PolarHBondContact OH-OD2 3.02Å
313	H	90.6	Very high	95.6	Very high	138 Å²	138	50.4 Å²	50.4	64%	0.639	25%	0.25	S	S	*	.	S	Bend	trans	-92.5	-32.5	179.6	-53.8	-65.5	0	0	0	111.1	D317	H313-D317 WeakPolarHBondContact CA-OD2 3.44Å; H313-D317 WeakPolarHBondContact CB-OD2 3.44Å; H313-D317 IonicContact CD2-OD2 2.81Å; H313-D317 PolarHBondContact N-OD2 2.91Å
314	T	92.8	Very high	95.6	Very high	53 Å²	53	51.9 Å²	51.9	33%	0.325	26%	0.258	S	S	.	.	S	Bend	trans	-123.4	165.3	174.2	90.6	0	0	0	0	111.5	Y316 D317	T314-Y316 PolarHBondContact O-N 3.46Å; T314-Y316 WeakPolarHBondContact OG1-CB 3.44Å; T314-Y316 PolarHBondContact OG1-N 3.44Å; T314-D317 WeakPolarHBondContact CB-OD1 3.46Å; T314-D317 PolarHBondContact N-OD2 3.1Å; T314-D317 PolarHBondContact O-N 3.47Å; T314-D317 PolarHBondContact OG1-OD1 2.9Å
315	K	94.8	Very high	95.7	Very high	11 Å²	11	47.3 Å²	47.3	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-24.4	171.3	69.7	174	-172.9	-171.4	0	113.9	A253 A319 F354 V357 P358 D359	A253-K315 HydrophobicContact CB-CB 3.96Å; A253-K315 HydrophobicContact CB-CD 4.08Å; A253-K315 HydrophobicContact CB-CG 4.38Å; K315-A319 PolarHBondContact O-N 2.8Å; K315-F354 HydrophobicContact CB-CE2 3.97Å; K315-F354 HydrophobicContact CB-CZ 4Å; K315-F354 HydrophobicContact CD-CE2 4.33Å; K315-F354 HydrophobicContact CD-CZ 3.94Å; K315-F354 HydrophobicContact CG-CE2 4.27Å; K315-F354 HydrophobicContact CG-CZ 3.81Å; K315-F354 VanDerWaalsContact O-CE2 3.3Å; K315-F354 WeakPolarHBondContact O-CE2 3.36Å; K315-F354 VanDerWaalsContact O-CZ 3.29Å; K315-F354 WeakPolarHBondContact O-CZ 3.21Å; K315-V357 HydrophobicContact CB-CG1 4.46Å; K315-V357 HydrophobicContact CD-CB 4.27Å; K315-V357 HydrophobicContact CD-CG1 3.67Å; K315-V357 PolarHBondContact NZ-O 3.26Å; K315-P358 WeakPolarHBondContact CD-O 3.36Å; K315-P358 PolarHBondContact NZ-O 3.03Å; K315-D359 WeakPolarHBondContact CE-OD1 3.49Å; K315-D359 IonicContact NZ-OD1 3.13Å; K315-D359 PolarHBondContact NZ-OD1 3.25Å; K315-D359 IonicContact NZ-OD2 2.68Å
316	Y	96.8	Very high	95.8	Very high	118 Å²	118	43.1 Å²	43.1	46%	0.463	21%	0.212	S	C	.	.	H	α-helix	trans	-74	-42.7	-178.2	-59.1	-74.1	0	0	0	111.2	T314 F318 A319 D320 F354 D359	T314-Y316 PolarHBondContact O-N 3.46Å; T314-Y316 WeakPolarHBondContact OG1-CB 3.44Å; T314-Y316 PolarHBondContact OG1-N 3.44Å; Y316-F318 PolarHBondContact O-N 2.94Å; Y316-F318 VanDerWaalsContact O-N 3.16Å; Y316-A319 CarbonylContact O-C 3.19Å; Y316-A319 WeakPolarHBondContact O-CA 3.29Å; Y316-A319 PolarHBondContact O-N 3.47Å; Y316-D320 PolarHBondContact O-N 2.95Å; Y316-F354 HydrophobicContact CD1-CE1 4.49Å; Y316-F354 HydrophobicContact CD1-CZ 4.45Å; Y316-D359 PolarHBondContact OH-OD1 3.16Å
317	D	96.2	Very high	95.8	Very high	49 Å²	49	45.3 Å²	45.3	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-53.8	-39	176.2	-35	-4.7	0	0	0	111.7	Y312 H313 T314	Y312-D317 VanDerWaalsContact CD1-C 3.47Å; Y312-D317 HydrophobicContact CD1-CB 3.73Å; Y312-D317 WeakPolarHBondContact CD1-O 3.33Å; Y312-D317 VanDerWaalsContact CE1-O 3.29Å; Y312-D317 WeakPolarHBondContact CE1-O 3.43Å; Y312-D317 HydrophobicContact CG-CB 4.4Å; H313-D317 WeakPolarHBondContact CA-OD2 3.44Å; H313-D317 WeakPolarHBondContact CB-OD2 3.44Å; H313-D317 IonicContact CD2-OD2 2.81Å; H313-D317 PolarHBondContact N-OD2 2.91Å; T314-D317 WeakPolarHBondContact CB-OD1 3.46Å; T314-D317 PolarHBondContact N-OD2 3.1Å; T314-D317 PolarHBondContact O-N 3.47Å; T314-D317 PolarHBondContact OG1-OD1 2.9Å
318	F	97.9	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.7	-45.2	174	159.9	-98	0	0	0	112.1	C257 L261 I303 L307 Y312 Y316 D320 D321 V322 F350 F354	C257-F318 HydrophobicContact CB-CD1 3.48Å; C257-F318 VanDerWaalsContact CB-CD1 3.48Å; C257-F318 HydrophobicContact CB-CD2 4.35Å; C257-F318 HydrophobicContact CB-CE1 3.43Å; C257-F318 VanDerWaalsContact CB-CE1 3.43Å; C257-F318 HydrophobicContact CB-CE2 4.33Å; C257-F318 HydrophobicContact CB-CG 3.95Å; C257-F318 HydrophobicContact CB-CZ 3.88Å; C257-F318 WeakPolarHBondContact SG-CD1 3.34Å; L261-F318 HydrophobicContact CB-CE2 4.14Å; L261-F318 HydrophobicContact CB-CZ 4.18Å; L261-F318 HydrophobicContact CD1-CE2 4.36Å; L261-F318 HydrophobicContact CD2-CE2 4.24Å; L261-F318 HydrophobicContact CG-CE2 4.49Å; I303-F318 HydrophobicContact CG2-CD2 3.78Å; I303-F318 HydrophobicContact CG2-CE2 3.63Å; L307-F318 HydrophobicContact CD2-CD2 4.44Å; L307-F318 HydrophobicContact CD2-CE2 4.37Å; Y312-F318 HydrophobicContact CD1-CB 4.29Å; Y312-F318 HydrophobicContact CD2-CB 3.87Å; Y312-F318 HydrophobicContact CD2-CD2 4.21Å; Y312-F318 HydrophobicContact CE2-CB 4.22Å; Y312-F318 HydrophobicContact CE2-CD2 4.01Å; Y312-F318 HydrophobicContact CG-CB 3.91Å; Y316-F318 PolarHBondContact O-N 2.94Å; Y316-F318 VanDerWaalsContact O-N 3.16Å; F318-D320 VanDerWaalsContact C-N 3.3Å; F318-D320 PolarHBondContact O-N 2.92Å; F318-D321 PolarHBondContact O-N 3.13Å; F318-V322 HydrophobicContact CD2-CG2 4.43Å; F318-V322 HydrophobicContact CE1-CG2 4.37Å; F318-V322 HydrophobicContact CE2-CG2 4.02Å; F318-V322 HydrophobicContact CZ-CG2 4Å; F318-V322 WeakPolarHBondContact O-CG2 3.26Å; F318-V322 PolarHBondContact O-N 2.82Å; F318-V322 VanDerWaalsContact O-N 3.17Å; F318-F350 AromaticContact CE1-CE2 3.72Å; F318-F350 HydrophobicContact CE1-CE2 3.72Å; F318-F350 HydrophobicContact CE1-CZ 4.15Å; F318-F350 HydrophobicContact CZ-CE2 4.12Å; F318-F354 HydrophobicContact CD1-CD2 4.5Å; F318-F354 HydrophobicContact CD1-CE2 4.18Å; F318-F354 HydrophobicContact CE1-CD2 4.4Å
319	A	97.9	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-30.7	179	0	0	0	0	0	113.1	K315 Y316 V322 R323 F350 F354	K315-A319 PolarHBondContact O-N 2.8Å; Y316-A319 CarbonylContact O-C 3.19Å; Y316-A319 WeakPolarHBondContact O-CA 3.29Å; Y316-A319 PolarHBondContact O-N 3.47Å; A319-V322 PolarHBondContact O-N 2.82Å; A319-R323 WeakPolarHBondContact O-CB 3.49Å; A319-R323 VanDerWaalsContact O-CG 3.28Å; A319-R323 WeakPolarHBondContact O-CG 3.44Å; A319-R323 PolarHBondContact O-N 3.42Å; A319-F350 HydrophobicContact CB-CE1 4.26Å; A319-F350 HydrophobicContact CB-CZ 3.91Å; A319-F354 HydrophobicContact CB-CD1 4.34Å; A319-F354 HydrophobicContact CB-CD2 4.24Å; A319-F354 HydrophobicContact CB-CE1 3.86Å; A319-F354 HydrophobicContact CB-CE2 3.75Å; A319-F354 HydrophobicContact CB-CZ 3.54Å
320	D	98.1	Very high	96.4	Very high	94 Å²	94	40 Å²	40	50%	0.503	20%	0.198	S	C	.	.	H	α-helix	trans	-71.4	-36.9	179.7	-69.9	-16.6	0	0	0	112	Y316 F318 L324	Y316-D320 PolarHBondContact O-N 2.95Å; F318-D320 VanDerWaalsContact C-N 3.3Å; F318-D320 PolarHBondContact O-N 2.92Å; D320-L324 WeakPolarHBondContact O-CB 3.43Å; D320-L324 PolarHBondContact O-N 3.26Å
321	D	98.5	Very high	96.7	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.027	21%	0.214	C	C	.	.	H	α-helix	trans	-70.2	-36	169.9	-85.9	-15.1	0	0	0	112.3	K296 M298 I303 K306 Y312 F318 L324 M325	K296-D321 IonicContact NZ-OD1 3.93Å; K296-D321 PolarHBondContact NZ-OD1 3.38Å; M298-D321 HydrophobicContact CE-CB 4.39Å; M298-D321 HydrophobicContact CG-CB 4.08Å; M298-D321 WeakPolarHBondContact CG-O 3.49Å; M298-D321 HydrophobicContact SD-CB 4.18Å; I303-D321 HydrophobicContact CG1-CB 4.14Å; K306-D321 WeakPolarHBondContact CD-OD2 3.16Å; K306-D321 WeakPolarHBondContact CE-OD2 3.36Å; K306-D321 IonicContact NZ-OD2 3.16Å; K306-D321 PolarHBondContact NZ-OD2 3.08Å; Y312-D321 HydrophobicContact CE1-CB 4.26Å; Y312-D321 VanDerWaalsContact CE1-OD2 3.23Å; Y312-D321 WeakPolarHBondContact CE1-OD2 3.42Å; Y312-D321 WeakPolarHBondContact OH-CB 3Å; Y312-D321 PolarHBondContact OH-OD2 3.02Å; F318-D321 PolarHBondContact O-N 3.13Å; D321-L324 PolarHBondContact O-N 3.35Å; D321-M325 PolarHBondContact O-N 3.25Å
322	V	98.5	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-42.1	173.5	175.1	0	0	0	0	111.2	I303 F318 A319 M325 F326 F350	I303-V322 HydrophobicContact CD1-CB 4.43Å; I303-V322 HydrophobicContact CD1-CG2 3.87Å; I303-V322 HydrophobicContact CG2-CG2 4.16Å; F318-V322 HydrophobicContact CD2-CG2 4.43Å; F318-V322 HydrophobicContact CE1-CG2 4.37Å; F318-V322 HydrophobicContact CE2-CG2 4.02Å; F318-V322 HydrophobicContact CZ-CG2 4Å; F318-V322 WeakPolarHBondContact O-CG2 3.26Å; F318-V322 PolarHBondContact O-N 2.82Å; F318-V322 VanDerWaalsContact O-N 3.17Å; A319-V322 PolarHBondContact O-N 2.82Å; V322-M325 WeakPolarHBondContact O-CB 3.41Å; V322-M325 PolarHBondContact O-N 2.87Å; V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 HydrophobicContact CG1-CE2 3.7Å; V322-F326 WeakPolarHBondContact O-CD2 3.47Å; V322-F326 PolarHBondContact O-N 3.05Å; V322-F350 HydrophobicContact CB-CE1 4.15Å; V322-F350 HydrophobicContact CB-CE2 4.08Å; V322-F350 HydrophobicContact CB-CZ 3.89Å; V322-F350 HydrophobicContact CG1-CD1 3.73Å; V322-F350 HydrophobicContact CG1-CD2 3.69Å; V322-F350 HydrophobicContact CG1-CE1 3.78Å; V322-F350 HydrophobicContact CG1-CE2 3.74Å; V322-F350 HydrophobicContact CG1-CG 3.68Å; V322-F350 HydrophobicContact CG1-CZ 3.79Å; V322-F350 HydrophobicContact CG2-CE2 3.97Å; V322-F350 HydrophobicContact CG2-CZ 4.15Å
323	R	98.5	Very high	96.9	Very high	74 Å²	74	45.8 Å²	45.8	28%	0.279	22%	0.217	S	C	.	.	H	α-helix	trans	-71.6	-35.1	176.6	-72.4	170	-177.1	147.8	-0.4	112.1	A319 M325 F326 N327 D351	A319-R323 WeakPolarHBondContact O-CB 3.49Å; A319-R323 VanDerWaalsContact O-CG 3.28Å; A319-R323 WeakPolarHBondContact O-CG 3.44Å; A319-R323 PolarHBondContact O-N 3.42Å; R323-M325 VanDerWaalsContact C-N 3.34Å; R323-M325 PolarHBondContact O-N 3.26Å; R323-F326 PolarHBondContact O-N 3.43Å; R323-N327 WeakPolarHBondContact O-CB 3.11Å; R323-N327 PolarHBondContact O-N 3.14Å; R323-N327 PolarHBondContact O-ND2 3.41Å; R323-N327 PolarHBondContact O-OD1 3.46Å; R323-D351 IonicContact CZ-OD1 2.89Å; R323-D351 IonicContact NE-OD1 3.14Å; R323-D351 PolarHBondContact NE-OD1 2.93Å; R323-D351 IonicContact NH2-OD1 2.72Å; R323-D351 PolarHBondContact NH2-OD1 3.18Å
324	L	98.4	Very high	97.1	Very high	32 Å²	32	40.8 Å²	40.8	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-44.3	170.9	171.6	65.8	0	0	0	111.9	K296 M298 D320 D321 F326 N327 N328	K296-L324 HydrophobicContact CB-CD2 4.26Å; K296-L324 HydrophobicContact CD-CD2 3.4Å; K296-L324 HydrophobicContact CG-CD2 3.8Å; K296-L324 VanDerWaalsContact NZ-CD2 3.28Å; M298-L324 HydrophobicContact CB-CD2 4.09Å; M298-L324 HydrophobicContact CB-CG 4.22Å; D320-L324 WeakPolarHBondContact O-CB 3.43Å; D320-L324 PolarHBondContact O-N 3.26Å; D321-L324 PolarHBondContact O-N 3.35Å; L324-F326 VanDerWaalsContact C-N 3.27Å; L324-F326 PolarHBondContact O-N 3.22Å; L324-N327 PolarHBondContact O-N 3.25Å; L324-N328 WeakPolarHBondContact CD1-OD1 3.44Å; L324-N328 VanDerWaalsContact O-CB 3.3Å; L324-N328 WeakPolarHBondContact O-CB 3.5Å; L324-N328 PolarHBondContact O-N 2.96Å; L324-N328 PolarHBondContact O-ND2 2.77Å
325	M	98.4	Very high	97.1	Very high	5 Å²	5	44 Å²	44	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-56	-41.6	175.4	175.8	-168.9	79.2	0	0	111.9	F276 M298 L300 I303 D321 V322 R323 C329	F276-M325 HydrophobicContact CB-CE 4.15Å; F276-M325 HydrophobicContact CB-SD 3.87Å; F276-M325 HydrophobicContact CD1-CE 3.99Å; F276-M325 HydrophobicContact CD1-CG 3.76Å; F276-M325 HydrophobicContact CD1-SD 3.99Å; F276-M325 HydrophobicContact CE1-CG 4.46Å; F276-M325 HydrophobicContact CG-CE 4.2Å; F276-M325 HydrophobicContact CG-SD 4.3Å; M298-M325 HydrophobicContact CB-CB 4.23Å; M298-M325 HydrophobicContact CG-CB 4.26Å; M298-M325 WeakPolarHBondContact O-CG 3.5Å; L300-M325 HydrophobicContact CD2-CE 3.94Å; L300-M325 HydrophobicContact CD2-SD 3.9Å; L300-M325 HydrophobicContact CG-CE 4.27Å; L300-M325 HydrophobicContact CG-SD 3.81Å; I303-M325 HydrophobicContact CD1-SD 4.2Å; D321-M325 PolarHBondContact O-N 3.25Å; V322-M325 WeakPolarHBondContact O-CB 3.41Å; V322-M325 PolarHBondContact O-N 2.87Å; R323-M325 VanDerWaalsContact C-N 3.34Å; R323-M325 PolarHBondContact O-N 3.26Å; M325-C329 PolarHBondContact O-N 3.42Å
326	F	98.2	Very high	97.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.6	-45.4	174.6	-65.7	-55.9	0	0	0	112.9	F276 V322 R323 L324 N328 C329 Y330 L346 Q347 F350	F276-F326 HydrophobicContact CE1-CD1 4.05Å; F276-F326 HydrophobicContact CE1-CE1 4.24Å; F276-F326 HydrophobicContact CE2-CE1 4.4Å; F276-F326 HydrophobicContact CZ-CD1 4.14Å; F276-F326 HydrophobicContact CZ-CE1 4.18Å; V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 HydrophobicContact CG1-CE2 3.7Å; V322-F326 WeakPolarHBondContact O-CD2 3.47Å; V322-F326 PolarHBondContact O-N 3.05Å; R323-F326 PolarHBondContact O-N 3.43Å; L324-F326 VanDerWaalsContact C-N 3.27Å; L324-F326 PolarHBondContact O-N 3.22Å; F326-N328 VanDerWaalsContact C-N 3.3Å; F326-N328 PolarHBondContact O-N 2.91Å; F326-C329 WeakPolarHBondContact O-CA 3.45Å; F326-C329 VanDerWaalsContact O-CB 3.31Å; F326-C329 WeakPolarHBondContact O-CB 3.32Å; F326-C329 PolarHBondContact O-N 2.6Å; F326-Y330 HydrophobicContact CB-CE2 3.91Å; F326-Y330 WeakPolarHBondContact O-CD2 3.47Å; F326-Y330 VanDerWaalsContact O-CG 3.26Å; F326-Y330 PolarHBondContact O-N 3.14Å; F326-L346 HydrophobicContact CE1-CB 3.9Å; F326-L346 HydrophobicContact CE1-CD2 4.06Å; F326-L346 HydrophobicContact CE1-CG 4.18Å; F326-L346 HydrophobicContact CZ-CB 3.99Å; F326-L346 HydrophobicContact CZ-CD2 4.06Å; F326-L346 HydrophobicContact CZ-CG 3.92Å; F326-Q347 HydrophobicContact CD1-CB 4.22Å; F326-Q347 HydrophobicContact CD2-CB 3.64Å; F326-Q347 HydrophobicContact CD2-CG 3.73Å; F326-Q347 HydrophobicContact CE1-CB 4.3Å; F326-Q347 HydrophobicContact CE2-CB 3.72Å; F326-Q347 HydrophobicContact CE2-CG 4.03Å; F326-Q347 HydrophobicContact CG-CB 3.91Å; F326-Q347 HydrophobicContact CG-CG 4.3Å; F326-Q347 HydrophobicContact CZ-CB 4.07Å; F326-F350 HydrophobicContact CE2-CB 4.45Å
327	N	97.9	Very high	97	Very high	88 Å²	88	47 Å²	47	47%	0.471	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-37.2	177.7	-68.3	-13.4	0	0	0	112.3	R323 L324 Y330 K331	R323-N327 WeakPolarHBondContact O-CB 3.11Å; R323-N327 PolarHBondContact O-N 3.14Å; R323-N327 PolarHBondContact O-ND2 3.41Å; R323-N327 PolarHBondContact O-OD1 3.46Å; L324-N327 PolarHBondContact O-N 3.25Å; N327-Y330 PolarHBondContact O-N 2.97Å; N327-K331 VanDerWaalsContact O-CB 3.31Å; N327-K331 WeakPolarHBondContact O-CB 3.31Å; N327-K331 PolarHBondContact O-N 3.29Å
328	N	97.8	Very high	96.9	Very high	14 Å²	14	50.2 Å²	50.2	8%	0.075	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-43.1	172.7	-73.3	-19.7	0	0	0	111.5	V294 K296 L324 F326 K331 Y332	V294-N328 HydrophobicContact CG1-CB 3.79Å; V294-N328 VanDerWaalsContact CG1-CG 3.44Å; V294-N328 HydrophobicContact CG2-CB 4.48Å; K296-N328 PolarHBondContact O-ND2 3.16Å; L324-N328 WeakPolarHBondContact CD1-OD1 3.44Å; L324-N328 VanDerWaalsContact O-CB 3.3Å; L324-N328 WeakPolarHBondContact O-CB 3.5Å; L324-N328 PolarHBondContact O-N 2.96Å; L324-N328 PolarHBondContact O-ND2 2.77Å; F326-N328 VanDerWaalsContact C-N 3.3Å; F326-N328 PolarHBondContact O-N 2.91Å; N328-K331 PolarHBondContact O-N 3.35Å; N328-Y332 WeakPolarHBondContact O-CB 3.41Å; N328-Y332 PolarHBondContact O-N 3.03Å
329	C	97.5	Very high	96.7	Very high	10 Å²	10	51.8 Å²	51.8	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-45.8	175.5	171.1	0	0	0	0	111.5	F276 M325 F326 Y332 N333	F276-C329 HydrophobicContact CE1-CB 3.83Å; F276-C329 HydrophobicContact CZ-CB 4.24Å; M325-C329 PolarHBondContact O-N 3.42Å; F326-C329 WeakPolarHBondContact O-CA 3.45Å; F326-C329 VanDerWaalsContact O-CB 3.31Å; F326-C329 WeakPolarHBondContact O-CB 3.32Å; F326-C329 PolarHBondContact O-N 2.6Å; C329-Y332 PolarHBondContact O-N 2.81Å; C329-N333 WeakPolarHBondContact O-CB 3.48Å; C329-N333 PolarHBondContact O-N 2.92Å; C329-N333 PolarHBondContact O-ND2 3.28Å
330	Y	97.6	Very high	96.7	Very high	27 Å²	27	51.8 Å²	51.8	11%	0.106	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-38.3	177.9	-50.3	-29.8	0	0	0	112.3	F326 N327 G334 A340 G343 K344 Q347	F326-Y330 HydrophobicContact CB-CE2 3.91Å; F326-Y330 WeakPolarHBondContact O-CD2 3.47Å; F326-Y330 VanDerWaalsContact O-CG 3.26Å; F326-Y330 PolarHBondContact O-N 3.14Å; N327-Y330 PolarHBondContact O-N 2.97Å; Y330-G334 CarbonylContact O-C 3.57Å; Y330-G334 VanDerWaalsContact O-CA 3.27Å; Y330-G334 WeakPolarHBondContact O-CA 3.05Å; Y330-G334 PolarHBondContact O-N 3.18Å; Y330-A340 HydrophobicContact CD1-CB 3.67Å; Y330-A340 HydrophobicContact CE1-CB 4.18Å; Y330-G343 VanDerWaalsContact OH-C 3.29Å; Y330-G343 PolarHBondContact OH-O 2.75Å; Y330-K344 HydrophobicContact CE1-CG 3.72Å; Y330-K344 VanDerWaalsContact OH-CA 3.29Å; Y330-K344 WeakPolarHBondContact OH-CA 3.32Å; Y330-K344 WeakPolarHBondContact OH-CG 3.41Å; Y330-K344 PolarHBondContact OH-N 2.99Å; Y330-K344 VanDerWaalsContact OH-N 3.16Å; Y330-Q347 PolarHBondContact OH-OE1 2.95Å
331	K	97	Very high	96.6	Very high	131 Å²	131	52.1 Å²	52.1	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-66.6	-40.9	177.2	-167.9	-170.6	178.7	-166.8	0	112.6	V293 N327 N328	V293-K331 HydrophobicContact CG1-CD 4.08Å; V293-K331 HydrophobicContact CG1-CG 4Å; V293-K331 WeakPolarHBondContact O-CE 3.49Å; V293-K331 PolarHBondContact O-NZ 3.33Å; N327-K331 VanDerWaalsContact O-CB 3.31Å; N327-K331 WeakPolarHBondContact O-CB 3.31Å; N327-K331 PolarHBondContact O-N 3.29Å; N328-K331 PolarHBondContact O-N 3.35Å
332	Y	97.4	Very high	96.5	Very high	48 Å²	48	52.2 Å²	52.2	19%	0.188	26%	0.259	C	S	.	.	H	α-helix	trans	-80.5	-47.3	-177	-172.4	-107.9	0	0	0	113	L287 D289 Y290 V293 V294 N328 C329	L287-Y332 HydrophobicContact CD1-CE1 4.16Å; L287-Y332 HydrophobicContact CD2-CE1 4.36Å; D289-Y332 PolarHBondContact OD1-OH 2.77Å; D289-Y332 WeakPolarHBondContact OD2-CE2 3.41Å; Y290-Y332 AromaticContact CD2-CD1 3.78Å; Y290-Y332 HydrophobicContact CD2-CD1 3.78Å; Y290-Y332 AromaticContact CD2-CD2 3.82Å; Y290-Y332 HydrophobicContact CD2-CD2 3.82Å; Y290-Y332 AromaticContact CD2-CE1 3.86Å; Y290-Y332 HydrophobicContact CD2-CE1 3.86Å; Y290-Y332 AromaticContact CD2-CE2 3.91Å; Y290-Y332 HydrophobicContact CD2-CE2 3.91Å; Y290-Y332 AromaticContact CD2-CG 3.76Å; Y290-Y332 HydrophobicContact CD2-CG 3.76Å; Y290-Y332 AromaticContact CD2-CZ 3.94Å; Y290-Y332 HydrophobicContact CE2-CD1 4.08Å; Y290-Y332 HydrophobicContact CE2-CD2 4.44Å; Y290-Y332 HydrophobicContact CE2-CG 4.02Å; Y290-Y332 HydrophobicContact CG-CE2 4.48Å; V293-Y332 HydrophobicContact CB-CD2 3.88Å; V293-Y332 HydrophobicContact CB-CE2 4.44Å; V293-Y332 HydrophobicContact CG1-CD2 4.08Å; V293-Y332 HydrophobicContact CG2-CD2 4.16Å; V293-Y332 HydrophobicContact CG2-CE2 4.34Å; V294-Y332 HydrophobicContact CG2-CD2 4.33Å; V294-Y332 HydrophobicContact CG2-CG 4.39Å; N328-Y332 WeakPolarHBondContact O-CB 3.41Å; N328-Y332 PolarHBondContact O-N 3.03Å; C329-Y332 PolarHBondContact O-N 2.81Å
333	N	95.1	Very high	96.5	Very high	64 Å²	64	52.2 Å²	52.2	34%	0.342	26%	0.259	S	S	.	.	H	α-helix	trans	-89.7	-11.3	-173.2	-55.3	-93.3	0	0	0	113	C329 S337 V339	C329-N333 WeakPolarHBondContact O-CB 3.48Å; C329-N333 PolarHBondContact O-N 2.92Å; C329-N333 PolarHBondContact O-ND2 3.28Å; N333-S337 WeakPolarHBondContact CB-OG 3.5Å; N333-S337 WeakPolarHBondContact O-CB 3.45Å; N333-S337 PolarHBondContact O-OG 3.23Å; N333-V339 HydrophobicContact CB-CB 4.32Å
334	G	94.3	Very high	96.4	Very high	33 Å²	33	52.3 Å²	52.3	34%	0.34	26%	0.262	S	S	.	.			trans	78.2	150.6	-168.5	0	0	0	0	0	112.8	Y330 D336 S337 A340	Y330-G334 CarbonylContact O-C 3.57Å; Y330-G334 VanDerWaalsContact O-CA 3.27Å; Y330-G334 WeakPolarHBondContact O-CA 3.05Å; Y330-G334 PolarHBondContact O-N 3.18Å; G334-D336 VanDerWaalsContact C-N 3.31Å; G334-D336 PolarHBondContact O-N 3.17Å; G334-S337 PolarHBondContact O-N 3.2Å; G334-S337 PolarHBondContact O-OG 2.89Å; G334-A340 WeakPolarHBondContact O-CB 3.33Å
335	E	93.3	Very high	96.4	Very high	122 Å²	122	55.1 Å²	55.1	57%	0.57	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.8	-169.8	-81.1	-136.8	-134.1	0	0	115.5	A340 K344	E335-A340 WeakPolarHBondContact O-CB 3.48Å; E335-K344 PolarHBondContact O-NZ 3.36Å; E335-K344 WeakPolarHBondContact OE2-CE 3.05Å; E335-K344 IonicContact OE2-NZ 3.49Å; E335-K344 PolarHBondContact OE2-NZ 3.41Å
336	D	93.1	Very high	96.3	Very high	163 Å²	163	54.9 Å²	54.9	87%	0.872	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-1.2	-176.6	-63.2	-51.9	0	0	0	113.6	G334	G334-D336 VanDerWaalsContact C-N 3.31Å; G334-D336 PolarHBondContact O-N 3.17Å
337	S	95.8	Very high	96.3	Very high	29 Å²	29	56.9 Å²	56.9	20%	0.203	28%	0.282	C	S	.	.	S	Bend	trans	-64.9	153.9	177.8	62.9	0	0	0	0	112.8	N333 G334 V339 A340 R341	N333-S337 WeakPolarHBondContact CB-OG 3.5Å; N333-S337 WeakPolarHBondContact O-CB 3.45Å; N333-S337 PolarHBondContact O-OG 3.23Å; G334-S337 PolarHBondContact O-N 3.2Å; G334-S337 PolarHBondContact O-OG 2.89Å; S337-V339 PolarHBondContact O-N 2.95Å; S337-A340 CarbonylContact O-C 3.6Å; S337-A340 PolarHBondContact O-N 2.65Å; S337-A340 VanDerWaalsContact O-N 3.12Å; S337-A340 WeakPolarHBondContact OG-CB 3.32Å; S337-A340 PolarHBondContact OG-N 3.18Å; S337-A340 VanDerWaalsContact OG-N 3.08Å; S337-R341 WeakPolarHBondContact O-CB 3.4Å; S337-R341 PolarHBondContact O-N 3.05Å
338	E	93.9	Very high	96.3	Very high	116 Å²	116	55.7 Å²	55.7	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-35.7	174.9	179.9	64.6	177.7	0	0	111.9	R341 V342	E338-R341 VanDerWaalsContact CD-NH2 3.27Å; E338-R341 WeakPolarHBondContact O-CB 3.45Å; E338-R341 PolarHBondContact O-N 3.19Å; E338-R341 IonicContact OE1-CZ 2.65Å; E338-R341 IonicContact OE1-NE 3.87Å; E338-R341 IonicContact OE1-NH2 3.19Å; E338-R341 PolarHBondContact OE1-NH2 2.95Å; E338-R341 IonicContact OE2-CZ 3.85Å; E338-R341 IonicContact OE2-NE 3.22Å; E338-R341 PolarHBondContact OE2-NE 3.22Å; E338-R341 IonicContact OE2-NH2 3.18Å; E338-R341 PolarHBondContact OE2-NH2 3.22Å; E338-V342 WeakPolarHBondContact O-CB 3.25Å; E338-V342 WeakPolarHBondContact O-CG2 3.34Å; E338-V342 PolarHBondContact O-N 2.79Å
339	V	94.4	Very high	96.3	Very high	32 Å²	32	57 Å²	57	19%	0.194	29%	0.29	C	S	.	.	H	α-helix	trans	-68.1	-41.8	176.1	-164.2	0	0	0	0	111	F275 N333 S337 V342 G343	F275-V339 HydrophobicContact CB-CG1 4.43Å; F275-V339 HydrophobicContact CD1-CG1 4.34Å; F275-V339 HydrophobicContact CD2-CG1 4.01Å; F275-V339 HydrophobicContact CE2-CG1 4.31Å; F275-V339 HydrophobicContact CG-CG1 4.03Å; F275-V339 HydrophobicContact CZ-CG2 4.41Å; N333-V339 HydrophobicContact CB-CB 4.32Å; S337-V339 PolarHBondContact O-N 2.95Å; V339-V342 PolarHBondContact O-N 2.59Å; V339-G343 PolarHBondContact O-N 2.99Å
340	A	96.2	Very high	96.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-38.6	172.8	0	0	0	0	0	112.2	Y330 G334 E335 S337 V342 G343 K344	Y330-A340 HydrophobicContact CD1-CB 3.67Å; Y330-A340 HydrophobicContact CE1-CB 4.18Å; G334-A340 WeakPolarHBondContact O-CB 3.33Å; E335-A340 WeakPolarHBondContact O-CB 3.48Å; S337-A340 CarbonylContact O-C 3.6Å; S337-A340 PolarHBondContact O-N 2.65Å; S337-A340 VanDerWaalsContact O-N 3.12Å; S337-A340 WeakPolarHBondContact OG-CB 3.32Å; S337-A340 PolarHBondContact OG-N 3.18Å; S337-A340 VanDerWaalsContact OG-N 3.08Å; A340-V342 VanDerWaalsContact C-N 3.33Å; A340-V342 PolarHBondContact O-N 3.28Å; A340-G343 PolarHBondContact O-N 2.52Å; A340-K344 WeakPolarHBondContact O-CB 3.48Å; A340-K344 VanDerWaalsContact O-CG 3.28Å; A340-K344 WeakPolarHBondContact O-CG 3.27Å; A340-K344 PolarHBondContact O-N 3.36Å
341	R	97.3	Very high	96.3	Very high	101 Å²	101	57.3 Å²	57.3	38%	0.381	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-42.4	174.4	-167.1	-166.8	63.8	64.8	-4.2	111.5	S337 E338 Q345	S337-R341 WeakPolarHBondContact O-CB 3.4Å; S337-R341 PolarHBondContact O-N 3.05Å; E338-R341 VanDerWaalsContact CD-NH2 3.27Å; E338-R341 WeakPolarHBondContact O-CB 3.45Å; E338-R341 PolarHBondContact O-N 3.19Å; E338-R341 IonicContact OE1-CZ 2.65Å; E338-R341 IonicContact OE1-NE 3.87Å; E338-R341 IonicContact OE1-NH2 3.19Å; E338-R341 PolarHBondContact OE1-NH2 2.95Å; E338-R341 IonicContact OE2-CZ 3.85Å; E338-R341 IonicContact OE2-NE 3.22Å; E338-R341 PolarHBondContact OE2-NE 3.22Å; E338-R341 IonicContact OE2-NH2 3.18Å; E338-R341 PolarHBondContact OE2-NH2 3.22Å; R341-Q345 WeakPolarHBondContact O-CG 3.48Å; R341-Q345 PolarHBondContact O-N 3.23Å
342	V	96.4	Very high	96.3	Very high	8 Å²	8	56 Å²	56	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-66.6	-45.1	173.8	167.1	0	0	0	0	111.3	L272 F275 F276 E338 V339 A340 K344 Q345 L346	L272-V342 HydrophobicContact CB-CG1 4.32Å; L272-V342 HydrophobicContact CD2-CG1 4.09Å; L272-V342 VanDerWaalsContact O-CG1 3.27Å; L272-V342 WeakPolarHBondContact O-CG1 3.47Å; F275-V342 HydrophobicContact CD2-CG1 4.08Å; F275-V342 HydrophobicContact CE2-CB 4.48Å; F275-V342 HydrophobicContact CE2-CG1 4.24Å; F276-V342 HydrophobicContact CE2-CG1 4.45Å; E338-V342 WeakPolarHBondContact O-CB 3.25Å; E338-V342 WeakPolarHBondContact O-CG2 3.34Å; E338-V342 PolarHBondContact O-N 2.79Å; V339-V342 PolarHBondContact O-N 2.59Å; A340-V342 VanDerWaalsContact C-N 3.33Å; A340-V342 PolarHBondContact O-N 3.28Å; V342-K344 PolarHBondContact O-N 2.8Å; V342-Q345 WeakPolarHBondContact O-CB 3.37Å; V342-Q345 PolarHBondContact O-N 3.24Å; V342-Q345 VanDerWaalsContact O-N 3.13Å; V342-L346 PolarHBondContact O-N 2.85Å
343	G	97.5	Very high	96.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.5	-46.9	175	0	0	0	0	0	112.8	Y330 V339 A340 Q345 L346 Q347	Y330-G343 VanDerWaalsContact OH-C 3.29Å; Y330-G343 PolarHBondContact OH-O 2.75Å; V339-G343 PolarHBondContact O-N 2.99Å; A340-G343 PolarHBondContact O-N 2.52Å; G343-Q345 PolarHBondContact O-N 2.91Å; G343-L346 PolarHBondContact O-N 2.91Å; G343-Q347 WeakPolarHBondContact O-CB 3.25Å; G343-Q347 PolarHBondContact O-N 2.96Å
344	K	97.5	Very high	96.3	Very high	76 Å²	76	53 Å²	53	33%	0.33	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-33.7	176.2	-74.4	168.8	177.1	175.9	0	112	Y330 E335 A340 V342 A348	Y330-K344 HydrophobicContact CE1-CG 3.72Å; Y330-K344 VanDerWaalsContact OH-CA 3.29Å; Y330-K344 WeakPolarHBondContact OH-CA 3.32Å; Y330-K344 WeakPolarHBondContact OH-CG 3.41Å; Y330-K344 PolarHBondContact OH-N 2.99Å; Y330-K344 VanDerWaalsContact OH-N 3.16Å; E335-K344 PolarHBondContact O-NZ 3.36Å; E335-K344 WeakPolarHBondContact OE2-CE 3.05Å; E335-K344 IonicContact OE2-NZ 3.49Å; E335-K344 PolarHBondContact OE2-NZ 3.41Å; A340-K344 WeakPolarHBondContact O-CB 3.48Å; A340-K344 VanDerWaalsContact O-CG 3.28Å; A340-K344 WeakPolarHBondContact O-CG 3.27Å; A340-K344 PolarHBondContact O-N 3.36Å; V342-K344 PolarHBondContact O-N 2.8Å; K344-A348 WeakPolarHBondContact O-CB 3.24Å; K344-A348 PolarHBondContact O-N 3.09Å; K344-A348 VanDerWaalsContact O-N 3.15Å
345	Q	97.4	Very high	96.4	Very high	90 Å²	90	55.5 Å²	55.5	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-72.9	-42.7	174.4	-71.8	-179.4	-4.7	0	0	112.9	L272 R341 V342 G343 A348 I349	L272-Q345 HydrophobicContact CD1-CB 4.34Å; L272-Q345 HydrophobicContact CD2-CB 4.15Å; R341-Q345 WeakPolarHBondContact O-CG 3.48Å; R341-Q345 PolarHBondContact O-N 3.23Å; V342-Q345 WeakPolarHBondContact O-CB 3.37Å; V342-Q345 PolarHBondContact O-N 3.24Å; V342-Q345 VanDerWaalsContact O-N 3.13Å; G343-Q345 PolarHBondContact O-N 2.91Å; Q345-A348 PolarHBondContact O-N 3.3Å; Q345-I349 WeakPolarHBondContact O-CG1 3.44Å; Q345-I349 PolarHBondContact O-N 3.04Å
346	L	97.4	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.4	-36.6	176.6	-168	65.5	0	0	0	111.9	I264 Y269 L272 N273 F276 F326 V342 G343 I349 F350	I264-L346 HydrophobicContact CB-CD1 4.28Å; Y269-L346 HydrophobicContact CG-CD1 4.49Å; L272-L346 HydrophobicContact CB-CB 4.33Å; L272-L346 HydrophobicContact CB-CD1 4.14Å; N273-L346 HydrophobicContact CB-CD2 3.94Å; F276-L346 HydrophobicContact CD2-CD2 3.86Å; F276-L346 HydrophobicContact CE2-CD2 4.4Å; F276-L346 HydrophobicContact CG-CD2 4.43Å; F326-L346 HydrophobicContact CE1-CB 3.9Å; F326-L346 HydrophobicContact CE1-CD2 4.06Å; F326-L346 HydrophobicContact CE1-CG 4.18Å; F326-L346 HydrophobicContact CZ-CB 3.99Å; F326-L346 HydrophobicContact CZ-CD2 4.06Å; F326-L346 HydrophobicContact CZ-CG 3.92Å; V342-L346 PolarHBondContact O-N 2.85Å; G343-L346 PolarHBondContact O-N 2.91Å; L346-I349 PolarHBondContact O-N 3.27Å; L346-F350 PolarHBondContact O-N 2.53Å
347	Q	97.9	Very high	96.5	Very high	43 Å²	43	48.4 Å²	48.4	20%	0.201	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-44.6	173.7	-174	-178.7	-14.4	0	0	111.3	F326 Y330 G343 I349 F350 D351	F326-Q347 HydrophobicContact CD1-CB 4.22Å; F326-Q347 HydrophobicContact CD2-CB 3.64Å; F326-Q347 HydrophobicContact CD2-CG 3.73Å; F326-Q347 HydrophobicContact CE1-CB 4.3Å; F326-Q347 HydrophobicContact CE2-CB 3.72Å; F326-Q347 HydrophobicContact CE2-CG 4.03Å; F326-Q347 HydrophobicContact CG-CB 3.91Å; F326-Q347 HydrophobicContact CG-CG 4.3Å; F326-Q347 HydrophobicContact CZ-CB 4.07Å; Y330-Q347 PolarHBondContact OH-OE1 2.95Å; G343-Q347 WeakPolarHBondContact O-CB 3.25Å; G343-Q347 PolarHBondContact O-N 2.96Å; Q347-I349 PolarHBondContact O-N 2.91Å; Q347-F350 CarbonylContact O-C 3.47Å; Q347-F350 WeakPolarHBondContact O-CA 3.44Å; Q347-F350 WeakPolarHBondContact O-CB 3.32Å; Q347-F350 PolarHBondContact O-N 3.04Å; Q347-D351 VanDerWaalsContact CG-OD2 3.31Å; Q347-D351 WeakPolarHBondContact CG-OD2 3.45Å; Q347-D351 PolarHBondContact NE2-OD2 3Å; Q347-D351 PolarHBondContact O-N 3.21Å
348	A	97.7	Very high	96.2	Very high	62 Å²	62	50.5 Å²	50.5	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-36.2	177.7	0	0	0	0	0	112.5	K344 Q345 E352	K344-A348 WeakPolarHBondContact O-CB 3.24Å; K344-A348 PolarHBondContact O-N 3.09Å; K344-A348 VanDerWaalsContact O-N 3.15Å; Q345-A348 PolarHBondContact O-N 3.3Å; A348-E352 WeakPolarHBondContact O-CB 3.28Å; A348-E352 PolarHBondContact O-N 3.43Å; A348-E352 VanDerWaalsContact O-N 3.08Å
349	I	96.8	Very high	95.5	Very high	41 Å²	41	48.9 Å²	48.9	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-39.8	173.9	-64.5	161.6	0	0	0	111	I264 Y269 L272 Q345 L346 Q347 N353	I264-I349 HydrophobicContact CG2-CG2 4.44Å; Y269-I349 HydrophobicContact CD1-CD1 3.96Å; Y269-I349 HydrophobicContact CE1-CD1 3.78Å; Y269-I349 HydrophobicContact CE1-CG2 4.27Å; Y269-I349 HydrophobicContact CE2-CG2 4.5Å; L272-I349 HydrophobicContact CD1-CD1 3.74Å; Q345-I349 WeakPolarHBondContact O-CG1 3.44Å; Q345-I349 PolarHBondContact O-N 3.04Å; L346-I349 PolarHBondContact O-N 3.27Å; Q347-I349 PolarHBondContact O-N 2.91Å; I349-N353 WeakPolarHBondContact O-CB 3.4Å; I349-N353 PolarHBondContact O-N 2.8Å; I349-N353 PolarHBondContact O-ND2 3.02Å
350	F	98.1	Very high	94.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-56.5	174.4	170.7	-100.8	0	0	0	111.7	I260 I264 F318 A319 V322 F326 L346 Q347 E352 N353 F354	I260-F350 HydrophobicContact CG2-CD2 3.71Å; I260-F350 HydrophobicContact CG2-CE2 4.02Å; I264-F350 HydrophobicContact CD1-CD2 4.22Å; F318-F350 AromaticContact CE1-CE2 3.72Å; F318-F350 HydrophobicContact CE1-CE2 3.72Å; F318-F350 HydrophobicContact CE1-CZ 4.15Å; F318-F350 HydrophobicContact CZ-CE2 4.12Å; A319-F350 HydrophobicContact CB-CE1 4.26Å; A319-F350 HydrophobicContact CB-CZ 3.91Å; V322-F350 HydrophobicContact CB-CE1 4.15Å; V322-F350 HydrophobicContact CB-CE2 4.08Å; V322-F350 HydrophobicContact CB-CZ 3.89Å; V322-F350 HydrophobicContact CG1-CD1 3.73Å; V322-F350 HydrophobicContact CG1-CD2 3.69Å; V322-F350 HydrophobicContact CG1-CE1 3.78Å; V322-F350 HydrophobicContact CG1-CE2 3.74Å; V322-F350 HydrophobicContact CG1-CG 3.68Å; V322-F350 HydrophobicContact CG1-CZ 3.79Å; V322-F350 HydrophobicContact CG2-CE2 3.97Å; V322-F350 HydrophobicContact CG2-CZ 4.15Å; F326-F350 HydrophobicContact CE2-CB 4.45Å; L346-F350 PolarHBondContact O-N 2.53Å; Q347-F350 CarbonylContact O-C 3.47Å; Q347-F350 WeakPolarHBondContact O-CA 3.44Å; Q347-F350 WeakPolarHBondContact O-CB 3.32Å; Q347-F350 PolarHBondContact O-N 3.04Å; F350-E352 PolarHBondContact O-N 2.95Å; F350-N353 CarbonylContact O-C 3.49Å; F350-N353 PolarHBondContact O-N 2.8Å; F350-N353 VanDerWaalsContact O-N 3.08Å; F350-F354 HydrophobicContact CE1-CB 4.12Å; F350-F354 HydrophobicContact CE1-CG 4.29Å; F350-F354 HydrophobicContact CE2-CB 4.24Å; F350-F354 HydrophobicContact CE2-CD2 4.26Å; F350-F354 HydrophobicContact CZ-CB 3.93Å; F350-F354 AromaticContact CZ-CD2 3.83Å; F350-F354 HydrophobicContact CZ-CD2 3.83Å; F350-F354 AromaticContact CZ-CG 3.91Å; F350-F354 HydrophobicContact CZ-CG 3.91Å; F350-F354 WeakPolarHBondContact O-CB 3.21Å; F350-F354 PolarHBondContact O-N 3.02Å
351	D	97.7	Very high	92.2	Very high	45 Å²	45	58.7 Å²	58.7	24%	0.241	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-35.3	-175.3	-80.5	-51.5	0	0	0	112	R323 Q347 N353 F354 A355	R323-D351 IonicContact CZ-OD1 2.89Å; R323-D351 IonicContact NE-OD1 3.14Å; R323-D351 PolarHBondContact NE-OD1 2.93Å; R323-D351 IonicContact NH2-OD1 2.72Å; R323-D351 PolarHBondContact NH2-OD1 3.18Å; Q347-D351 VanDerWaalsContact CG-OD2 3.31Å; Q347-D351 WeakPolarHBondContact CG-OD2 3.45Å; Q347-D351 PolarHBondContact NE2-OD2 3Å; Q347-D351 PolarHBondContact O-N 3.21Å; D351-N353 VanDerWaalsContact C-N 3.27Å; D351-N353 PolarHBondContact O-N 3.37Å; D351-F354 PolarHBondContact O-N 2.78Å; D351-A355 WeakPolarHBondContact O-CB 3.4Å; D351-A355 PolarHBondContact O-N 3.4Å
352	E	96.7	Very high	89.8	Confident	102 Å²	102	59 Å²	59	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-35.1	172.7	-157.2	-153.6	88.7	0	0	111.6	A348 F350 K356 K467	A348-E352 WeakPolarHBondContact O-CB 3.28Å; A348-E352 PolarHBondContact O-N 3.43Å; A348-E352 VanDerWaalsContact O-N 3.08Å; F350-E352 PolarHBondContact O-N 2.95Å; E352-K356 WeakPolarHBondContact O-CD 3.27Å; E352-K356 WeakPolarHBondContact O-CE 3.47Å; E352-K356 WeakPolarHBondContact O-CG 3.27Å; E352-K356 PolarHBondContact O-NZ 3.44Å; E352-K356 IonicContact OE1-NZ 3.55Å; E352-K356 PolarHBondContact OE1-NZ 2.85Å; E352-K467 IonicContact OE2-NZ 3.59Å
353	N	96.2	Very high	87.1	Confident	38 Å²	38	64.1 Å²	64.1	20%	0.203	35%	0.352	C	S	.	.	H	α-helix	trans	-84.1	-34.9	178.4	-74.2	-31.2	0	0	0	113	I260 I349 F350 D351 A355 K356	I260-N353 HydrophobicContact CD1-CB 4.1Å; I260-N353 WeakPolarHBondContact CD1-O 3.48Å; I260-N353 HydrophobicContact CG1-CB 4.11Å; I260-N353 HydrophobicContact CG2-CB 4.44Å; I349-N353 WeakPolarHBondContact O-CB 3.4Å; I349-N353 PolarHBondContact O-N 2.8Å; I349-N353 PolarHBondContact O-ND2 3.02Å; F350-N353 CarbonylContact O-C 3.49Å; F350-N353 PolarHBondContact O-N 2.8Å; F350-N353 VanDerWaalsContact O-N 3.08Å; D351-N353 VanDerWaalsContact C-N 3.27Å; D351-N353 PolarHBondContact O-N 3.37Å; N353-A355 VanDerWaalsContact C-N 3.32Å; N353-A355 PolarHBondContact O-N 3.28Å; N353-K356 WeakPolarHBondContact O-CB 3.45Å; N353-K356 PolarHBondContact O-N 3.21Å; N353-K356 VanDerWaalsContact O-N 3.07Å; N353-K356 PolarHBondContact OD1-NZ 2.84Å
354	F	97.2	Very high	84.5	Confident	13 Å²	13	70.5 Å²	70.5	6%	0.057	39%	0.394	C	S	.	.	H	α-helix	trans	-66.9	-35.1	177	-172.9	-99.3	0	0	0	111.7	I260 K315 Y316 F318 A319 F350 D351 K356 V357	I260-F354 HydrophobicContact CD1-CB 4.44Å; K315-F354 HydrophobicContact CB-CE2 3.97Å; K315-F354 HydrophobicContact CB-CZ 4Å; K315-F354 HydrophobicContact CD-CE2 4.33Å; K315-F354 HydrophobicContact CD-CZ 3.94Å; K315-F354 HydrophobicContact CG-CE2 4.27Å; K315-F354 HydrophobicContact CG-CZ 3.81Å; K315-F354 VanDerWaalsContact O-CE2 3.3Å; K315-F354 WeakPolarHBondContact O-CE2 3.36Å; K315-F354 VanDerWaalsContact O-CZ 3.29Å; K315-F354 WeakPolarHBondContact O-CZ 3.21Å; Y316-F354 HydrophobicContact CD1-CE1 4.49Å; Y316-F354 HydrophobicContact CD1-CZ 4.45Å; F318-F354 HydrophobicContact CD1-CD2 4.5Å; F318-F354 HydrophobicContact CD1-CE2 4.18Å; F318-F354 HydrophobicContact CE1-CD2 4.4Å; A319-F354 HydrophobicContact CB-CD1 4.34Å; A319-F354 HydrophobicContact CB-CD2 4.24Å; A319-F354 HydrophobicContact CB-CE1 3.86Å; A319-F354 HydrophobicContact CB-CE2 3.75Å; A319-F354 HydrophobicContact CB-CZ 3.54Å; F350-F354 HydrophobicContact CE1-CB 4.12Å; F350-F354 HydrophobicContact CE1-CG 4.29Å; F350-F354 HydrophobicContact CE2-CB 4.24Å; F350-F354 HydrophobicContact CE2-CD2 4.26Å; F350-F354 HydrophobicContact CZ-CB 3.93Å; F350-F354 AromaticContact CZ-CD2 3.83Å; F350-F354 HydrophobicContact CZ-CD2 3.83Å; F350-F354 AromaticContact CZ-CG 3.91Å; F350-F354 HydrophobicContact CZ-CG 3.91Å; F350-F354 WeakPolarHBondContact O-CB 3.21Å; F350-F354 PolarHBondContact O-N 3.02Å; D351-F354 PolarHBondContact O-N 2.78Å; F354-K356 PolarHBondContact O-N 3.38Å; F354-K356 VanDerWaalsContact O-N 3.09Å; F354-V357 HydrophobicContact CD2-CG2 4.23Å; F354-V357 WeakPolarHBondContact O-CB 3.34Å; F354-V357 PolarHBondContact O-N 3.12Å
355	A	96.1	Very high	81.6	Confident	85 Å²	85	71 Å²	71	70%	0.702	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.4	171.4	0	0	0	0	0	114.4	D351 N353	D351-A355 WeakPolarHBondContact O-CB 3.4Å; D351-A355 PolarHBondContact O-N 3.4Å; N353-A355 VanDerWaalsContact C-N 3.32Å; N353-A355 PolarHBondContact O-N 3.28Å
356	K	95.2	Very high	78.9	Confident	126 Å²	126	70.2 Å²	70.2	55%	0.548	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-5	174.8	-55.6	163.7	-167.5	152.4	0	112.5	E352 N353 F354	E352-K356 WeakPolarHBondContact O-CD 3.27Å; E352-K356 WeakPolarHBondContact O-CE 3.47Å; E352-K356 WeakPolarHBondContact O-CG 3.27Å; E352-K356 PolarHBondContact O-NZ 3.44Å; E352-K356 IonicContact OE1-NZ 3.55Å; E352-K356 PolarHBondContact OE1-NZ 2.85Å; N353-K356 WeakPolarHBondContact O-CB 3.45Å; N353-K356 PolarHBondContact O-N 3.21Å; N353-K356 VanDerWaalsContact O-N 3.07Å; N353-K356 PolarHBondContact OD1-NZ 2.84Å; F354-K356 PolarHBondContact O-N 3.38Å; F354-K356 VanDerWaalsContact O-N 3.09Å
357	V	94	Very high	76.1	Confident	9 Å²	9	75.9 Å²	75.9	6%	0.055	46%	0.461	C	S	.	.	S	Bend	trans	-76.9	124.1	176.1	179.7	0	0	0	0	108.5	A253 A256 I260 K315 F354	A253-V357 HydrophobicContact CB-CG1 3.73Å; A256-V357 HydrophobicContact CB-CB 4.49Å; A256-V357 HydrophobicContact CB-CG1 3.97Å; A256-V357 HydrophobicContact CB-CG2 4.05Å; I260-V357 HydrophobicContact CD1-CG2 3.37Å; K315-V357 HydrophobicContact CB-CG1 4.46Å; K315-V357 HydrophobicContact CD-CB 4.27Å; K315-V357 HydrophobicContact CD-CG1 3.67Å; K315-V357 PolarHBondContact NZ-O 3.26Å; F354-V357 HydrophobicContact CD2-CG2 4.23Å; F354-V357 WeakPolarHBondContact O-CB 3.34Å; F354-V357 PolarHBondContact O-N 3.12Å
358	P	88	Confident	73.4	Confident	74 Å²	74	79.7 Å²	79.7	48%	0.481	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-58.1	152.6	175.6	26.9	-35.5	0	0	0	110.5	K315	K315-P358 WeakPolarHBondContact CD-O 3.36Å; K315-P358 PolarHBondContact NZ-O 3.03Å
359	D	79.7	Confident	70.8	Confident	82 Å²	82	85 Å²	85	44%	0.439	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-66	151.9	164.1	-62.6	-59.7	0	0	0	109.2	K315 Y316 E361	K315-D359 WeakPolarHBondContact CE-OD1 3.49Å; K315-D359 IonicContact NZ-OD1 3.13Å; K315-D359 PolarHBondContact NZ-OD1 3.25Å; K315-D359 IonicContact NZ-OD2 2.68Å; Y316-D359 PolarHBondContact OH-OD1 3.16Å; D359-E361 PolarHBondContact O-N 3.46Å
360	D	66	Low	67.7	Low	70 Å²	70	86.4 Å²	86.4	37%	0.374	53%	0.534	S	S	.	.			trans	-74.9	64.2	173.2	-83.1	-45	0	0	0	109	S251 A253 S362	S251-D360 WeakPolarHBondContact CB-OD1 3.37Å; S251-D360 PolarHBondContact OG-OD1 2.74Å; S251-D360 PolarHBondContact OG-OD2 3.36Å; A253-D360 VanDerWaalsContact CB-CG 3.48Å; A253-D360 VanDerWaalsContact CB-OD1 3.29Å; A253-D360 WeakPolarHBondContact CB-OD1 3.48Å; A253-D360 WeakPolarHBondContact CB-OD2 3.49Å; A253-D360 PolarHBondContact N-OD1 2.69Å; D360-S362 PolarHBondContact O-N 2.63Å; D360-S362 VanDerWaalsContact O-N 3.13Å
361	E	56	Low	65.2	Low	167 Å²	167	96.2 Å²	96.2	78%	0.78	57%	0.571	S	S	*	*			trans	-55.1	112.8	168.8	-73.7	-75.4	106.9	0	0	108.1	D359 D363	D359-E361 PolarHBondContact O-N 3.46Å; E361-D363 PolarHBondContact O-N 3.25Å
362	S	46.6	Very low	62.4	Low	108 Å²	108	100.5 Å²	100.5	76%	0.755	60%	0.601	S	S	*	*			trans	-76.6	75.3	-175.1	60.1	0	0	0	0	111.1	D360 P364	D360-S362 PolarHBondContact O-N 2.63Å; D360-S362 VanDerWaalsContact O-N 3.13Å; S362-P364 VanDerWaalsContact O-CD 3.3Å; S362-P364 WeakPolarHBondContact O-CD 3.42Å; S362-P364 VanDerWaalsContact O-N 3.13Å
363	D	40.4	Very low	59.7	Low	115 Å²	115	100.9 Å²	100.9	62%	0.615	61%	0.61	S	S	*	*			trans	-54.6	111	179.1	-177.2	0.5	0	0	0	110.8	E361 A365	E361-D363 PolarHBondContact O-N 3.25Å; D363-A365 PolarHBondContact O-N 3.48Å; D363-A365 VanDerWaalsContact O-N 3.1Å; D363-A365 WeakPolarHBondContact OD1-CB 3.29Å; D363-A365 PolarHBondContact OD1-N 2.91Å
364	P	42.8	Very low	57.5	Low	135 Å²	135	103 Å²	103	88%	0.877	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	7.9	-169.9	33.1	-36.8	0	0	0	113.7	S362	S362-P364 VanDerWaalsContact O-CD 3.3Å; S362-P364 WeakPolarHBondContact O-CD 3.42Å; S362-P364 VanDerWaalsContact O-N 3.13Å
365	A	36.5	Very low	55.3	Low	87 Å²	87	109.4 Å²	109.4	72%	0.719	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-12.9	-162.6	0	0	0	0	0	117.1	D363	D363-A365 PolarHBondContact O-N 3.48Å; D363-A365 VanDerWaalsContact O-N 3.1Å; D363-A365 WeakPolarHBondContact OD1-CB 3.29Å; D363-A365 PolarHBondContact OD1-N 2.91Å
366	A	40.6	Very low	53.6	Low	72 Å²	72	111.6 Å²	111.6	60%	0.595	65%	0.651	S	S	*	*			trans	-140.3	65.2	-155.8	0	0	0	0	0	119
367	S	38.2	Very low	51.9	Low	119 Å²	119	110.7 Å²	110.7	83%	0.832	65%	0.65	S	S	*	*			trans	-175.9	144.6	132.3	-86.8	0	0	0	0	114.3
368	P	41.3	Very low	50.3	Low	124 Å²	124	116.9 Å²	116.9	81%	0.805	67%	0.674	S	S	*	*			trans	-98	119.9	-179.3	35.5	-30.6	0	0	0	113.5
369	D	41.9	Very low	49.5	Very low	173 Å²	173	117.9 Å²	117.9	93%	0.925	67%	0.672	S	S	*	*			trans	-156.6	136.7	142.9	-132.8	-25	0	0	0	110.6
370	G	31.5	Very low	49.2	Very low	71 Å²	71	119.6 Å²	119.6	73%	0.732	68%	0.681	S	S	*	*			trans	-89.9	118.4	-152.4	0	0	0	0	0	116.9
371	R	45.8	Very low	49.7	Very low	205 Å²	205	120.3 Å²	120.3	77%	0.774	68%	0.683	S	S	*	*			trans	-141.3	142.3	137.1	-64.5	-167.4	-167.8	-142.2	4.7	109.6	V373	R371-V373 PolarHBondContact O-N 3.11Å
372	P	39.1	Very low	50.6	Low	136 Å²	136	115.7 Å²	115.7	88%	0.883	66%	0.662	S	S	*	*			trans	-69.8	97	169.6	29.3	-32.7	0	0	0	109.1
373	V	41.1	Very low	52.3	Low	110 Å²	110	114.2 Å²	114.2	67%	0.667	65%	0.646	S	S	*	*			trans	-58.6	138.8	151.7	178.4	0	0	0	0	106.3	R371 Q375	R371-V373 PolarHBondContact O-N 3.11Å; V373-Q375 PolarHBondContact O-N 3.35Å
374	D	49.8	Very low	54.1	Low	82 Å²	82	111.5 Å²	111.5	44%	0.439	64%	0.639	S	S	.	*			trans	-60.4	101.2	-174.3	-178.3	1.5	0	0	0	110.8	N376 M377 Y378	D374-N376 PolarHBondContact O-N 2.99Å; D374-N376 WeakPolarHBondContact OD1-CB 3.45Å; D374-N376 PolarHBondContact OD1-N 3.09Å; D374-M377 HydrophobicContact CB-CB 4.01Å; D374-M377 HydrophobicContact CB-CE 4.34Å; D374-M377 PolarHBondContact O-N 2.64Å; D374-M377 PolarHBondContact OD1-N 3.07Å; D374-Y378 PolarHBondContact O-N 3.41Å
375	Q	50	Low	55.9	Low	148 Å²	148	109.4 Å²	109.4	69%	0.692	62%	0.62	S	S	*	*	H	α-helix	trans	-58	-35.1	-177.2	-163.9	88.2	26.8	0	0	110.4	V373 Q379	V373-Q375 PolarHBondContact O-N 3.35Å; Q375-Q379 WeakPolarHBondContact O-CB 3.14Å; Q375-Q379 PolarHBondContact O-N 3.44Å
376	N	60.4	Low	58.1	Low	130 Å²	130	111.3 Å²	111.3	70%	0.695	61%	0.612	S	S	*	*	H	α-helix	trans	-68.3	-41.6	177.3	-70.2	-21	0	0	0	111.1	D374 L380	D374-N376 PolarHBondContact O-N 2.99Å; D374-N376 WeakPolarHBondContact OD1-CB 3.45Å; D374-N376 PolarHBondContact OD1-N 3.09Å; N376-L380 WeakPolarHBondContact O-CB 3.29Å; N376-L380 PolarHBondContact O-N 3.37Å
377	M	59.6	Low	60	Low	107 Å²	107	112.9 Å²	112.9	53%	0.527	61%	0.607	S	S	.	*	H	α-helix	trans	-70.6	-38.9	178	-176	154.5	48.1	0	0	112.3	D374 L380 I381	D374-M377 HydrophobicContact CB-CB 4.01Å; D374-M377 HydrophobicContact CB-CE 4.34Å; D374-M377 PolarHBondContact O-N 2.64Å; D374-M377 PolarHBondContact OD1-N 3.07Å; M377-L380 PolarHBondContact O-N 3.13Å; M377-I381 HydrophobicContact CG-CD1 4.02Å; M377-I381 WeakPolarHBondContact O-CB 3.29Å; M377-I381 WeakPolarHBondContact O-CD1 3.23Å; M377-I381 VanDerWaalsContact O-CG1 3.26Å; M377-I381 WeakPolarHBondContact O-CG1 3.34Å; M377-I381 PolarHBondContact O-N 2.82Å
378	Y	61.8	Low	62	Low	140 Å²	140	113.3 Å²	113.3	55%	0.549	60%	0.595	S	S	.	*	H	α-helix	trans	-67.4	-39.8	174.6	-150.3	-90.8	0	0	0	111.6	D374 I381 Q382	D374-Y378 PolarHBondContact O-N 3.41Å; Y378-I381 PolarHBondContact O-N 3.19Å; Y378-Q382 HydrophobicContact CD1-CG 4.07Å; Y378-Q382 HydrophobicContact CE1-CG 4.15Å; Y378-Q382 WeakPolarHBondContact O-CB 3.46Å; Y378-Q382 VanDerWaalsContact O-CG 3.3Å; Y378-Q382 WeakPolarHBondContact O-CG 3.27Å; Y378-Q382 PolarHBondContact O-N 2.85Å
379	Q	70.2	Confident	63.9	Low	94 Å²	94	113.4 Å²	113.4	44%	0.439	59%	0.585	S	S	.	*	H	α-helix	trans	-66.6	-37.4	174	-166.9	64.6	63.1	0	0	112.1	Q375 Q382 N383	Q375-Q379 WeakPolarHBondContact O-CB 3.14Å; Q375-Q379 PolarHBondContact O-N 3.44Å; Q379-Q382 PolarHBondContact O-N 3.39Å; Q379-N383 PolarHBondContact NE2-OD1 2.86Å; Q379-N383 VanDerWaalsContact O-CB 3.26Å; Q379-N383 WeakPolarHBondContact O-CB 3.23Å; Q379-N383 PolarHBondContact O-N 3.46Å; Q379-N383 PolarHBondContact O-OD1 2.93Å
380	L	74.4	Confident	65.9	Low	118 Å²	118	110.6 Å²	110.6	62%	0.618	57%	0.565	S	S	*	*	H	α-helix	trans	-65.7	-42.4	175.4	-179	65	0	0	0	111.5	N376 M377 N383 A384	N376-L380 WeakPolarHBondContact O-CB 3.29Å; N376-L380 PolarHBondContact O-N 3.37Å; M377-L380 PolarHBondContact O-N 3.13Å; L380-N383 PolarHBondContact O-N 3.05Å; L380-A384 VanDerWaalsContact O-CB 3.28Å; L380-A384 WeakPolarHBondContact O-CB 3.38Å; L380-A384 PolarHBondContact O-N 3.19Å
381	I	74.9	Confident	68.3	Low	85 Å²	85	112.4 Å²	112.4	44%	0.436	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-46.4	174	-70	164.2	0	0	0	110.5	M377 Y378 N383 A384 I385	M377-I381 HydrophobicContact CG-CD1 4.02Å; M377-I381 WeakPolarHBondContact O-CB 3.29Å; M377-I381 WeakPolarHBondContact O-CD1 3.23Å; M377-I381 VanDerWaalsContact O-CG1 3.26Å; M377-I381 WeakPolarHBondContact O-CG1 3.34Å; M377-I381 PolarHBondContact O-N 2.82Å; Y378-I381 PolarHBondContact O-N 3.19Å; I381-N383 VanDerWaalsContact C-N 3.34Å; I381-N383 PolarHBondContact O-N 2.89Å; I381-A384 PolarHBondContact O-N 3.17Å; I381-I385 HydrophobicContact CG2-CD1 3.8Å; I381-I385 VanDerWaalsContact O-CG1 3.28Å; I381-I385 WeakPolarHBondContact O-CG1 3.43Å; I381-I385 PolarHBondContact O-N 3.46Å
382	Q	75.9	Confident	70	Confident	71 Å²	71	105.6 Å²	105.6	33%	0.332	54%	0.538	S	S	.	.	H	α-helix	trans	-62.9	-38.4	176.4	-74.1	-68.8	-28.6	0	0	112.7	Y378 Q379 K386	Y378-Q382 HydrophobicContact CD1-CG 4.07Å; Y378-Q382 HydrophobicContact CE1-CG 4.15Å; Y378-Q382 WeakPolarHBondContact O-CB 3.46Å; Y378-Q382 VanDerWaalsContact O-CG 3.3Å; Y378-Q382 WeakPolarHBondContact O-CG 3.27Å; Y378-Q382 PolarHBondContact O-N 2.85Å; Q379-Q382 PolarHBondContact O-N 3.39Å; Q382-K386 WeakPolarHBondContact O-CB 3.29Å; Q382-K386 WeakPolarHBondContact O-CG 3.42Å; Q382-K386 PolarHBondContact O-N 2.99Å
383	N	81.3	Confident	72.1	Confident	76 Å²	76	103.7 Å²	103.7	41%	0.406	52%	0.521	S	S	.	.	H	α-helix	trans	-69	-40.2	175.2	-69.1	-1.8	0	0	0	111.3	Q379 L380 I381 K386 E387	Q379-N383 PolarHBondContact NE2-OD1 2.86Å; Q379-N383 VanDerWaalsContact O-CB 3.26Å; Q379-N383 WeakPolarHBondContact O-CB 3.23Å; Q379-N383 PolarHBondContact O-N 3.46Å; Q379-N383 PolarHBondContact O-OD1 2.93Å; L380-N383 PolarHBondContact O-N 3.05Å; I381-N383 VanDerWaalsContact C-N 3.34Å; I381-N383 PolarHBondContact O-N 2.89Å; N383-K386 PolarHBondContact O-N 2.65Å; N383-E387 PolarHBondContact O-N 3.32Å
384	A	77.9	Confident	74.1	Confident	59 Å²	59	104.5 Å²	104.5	49%	0.488	52%	0.517	S	S	.	.	H	α-helix	trans	-65.1	-40.4	175.5	0	0	0	0	0	112.2	L380 I381 H388	L380-A384 VanDerWaalsContact O-CB 3.28Å; L380-A384 WeakPolarHBondContact O-CB 3.38Å; L380-A384 PolarHBondContact O-N 3.19Å; I381-A384 PolarHBondContact O-N 3.17Å; A384-H388 VanDerWaalsContact O-CB 3.28Å; A384-H388 WeakPolarHBondContact O-CB 3.48Å; A384-H388 PolarHBondContact O-N 3.2Å
385	I	81.8	Confident	75.6	Confident	90 Å²	90	107.7 Å²	107.7	46%	0.462	53%	0.527	S	S	.	.	H	α-helix	trans	-62.4	-45.4	173.1	-69.5	165.3	0	0	0	110.4	I381 H388 Q389	I381-I385 HydrophobicContact CG2-CD1 3.8Å; I381-I385 VanDerWaalsContact O-CG1 3.28Å; I381-I385 WeakPolarHBondContact O-CG1 3.43Å; I381-I385 PolarHBondContact O-N 3.46Å; I385-H388 PolarHBondContact O-N 3.17Å; I385-Q389 WeakPolarHBondContact O-CB 3.3Å; I385-Q389 PolarHBondContact O-N 3.45Å
386	K	82.7	Confident	77.1	Confident	128 Å²	128	106.1 Å²	106.1	56%	0.557	52%	0.52	S	S	*	.	H	α-helix	trans	-63.8	-45.9	177.3	-79	179.8	177	179.3	0	112.9	Q382 N383 Q389 K390	Q382-K386 WeakPolarHBondContact O-CB 3.29Å; Q382-K386 WeakPolarHBondContact O-CG 3.42Å; Q382-K386 PolarHBondContact O-N 2.99Å; N383-K386 PolarHBondContact O-N 2.65Å; K386-Q389 PolarHBondContact O-N 3.37Å; K386-K390 WeakPolarHBondContact O-CB 3.32Å; K386-K390 PolarHBondContact O-N 2.73Å
387	E	79.3	Confident	78.3	Confident	104 Å²	104	108.5 Å²	108.5	49%	0.486	52%	0.519	S	S	.	.	H	α-helix	trans	-67.4	-37.3	177.2	-73.3	-60.9	129.1	0	0	111.7	N383 K390 L391	N383-E387 PolarHBondContact O-N 3.32Å; E387-K390 PolarHBondContact O-N 2.59Å; E387-K390 WeakPolarHBondContact OE1-CD 3.38Å; E387-K390 IonicContact OE1-NZ 3.04Å; E387-K390 PolarHBondContact OE1-NZ 3.03Å; E387-K390 IonicContact OE2-NZ 2.64Å; E387-K390 PolarHBondContact OE2-NZ 3.28Å; E387-L391 VanDerWaalsContact O-CB 3.26Å; E387-L391 WeakPolarHBondContact O-CB 3.48Å; E387-L391 PolarHBondContact O-N 2.91Å
388	H	80.3	Confident	79.5	Confident	128 Å²	128	109.7 Å²	109.7	59%	0.593	52%	0.522	S	S	*	.	H	α-helix	trans	-62	-47.1	171.2	-173.6	-16.4	0	0	0	111.3	A384 I385 K390 L391 T392	A384-H388 VanDerWaalsContact O-CB 3.28Å; A384-H388 WeakPolarHBondContact O-CB 3.48Å; A384-H388 PolarHBondContact O-N 3.2Å; I385-H388 PolarHBondContact O-N 3.17Å; H388-K390 VanDerWaalsContact C-N 3.32Å; H388-K390 PolarHBondContact O-N 3.49Å; H388-L391 PolarHBondContact O-N 2.69Å; H388-T392 PolarHBondContact CE1-OG1 2.98Å; H388-T392 PolarHBondContact ND1-OG1 2.8Å; H388-T392 VanDerWaalsContact ND1-OG1 3.14Å; H388-T392 WeakPolarHBondContact O-CB 3.37Å; H388-T392 PolarHBondContact O-N 2.86Å; H388-T392 PolarHBondContact O-OG1 3.14Å
389	Q	82.7	Confident	80.4	Confident	127 Å²	127	106 Å²	106	59%	0.593	52%	0.517	S	S	*	.	H	α-helix	trans	-64.9	-37.2	-179.4	-165.3	177.1	38.7	0	0	111.9	I385 K386 N393	I385-Q389 WeakPolarHBondContact O-CB 3.3Å; I385-Q389 PolarHBondContact O-N 3.45Å; K386-Q389 PolarHBondContact O-N 3.37Å; Q389-N393 WeakPolarHBondContact O-CB 3.43Å; Q389-N393 PolarHBondContact O-N 3.32Å; Q389-N393 PolarHBondContact O-ND2 2.89Å
390	K	83.7	Confident	81	Confident	114 Å²	114	105.9 Å²	105.9	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-44.2	172.4	176.9	-176.9	164	-147.8	0	111.9	K386 E387 H388 N393 Q394	K386-K390 WeakPolarHBondContact O-CB 3.32Å; K386-K390 PolarHBondContact O-N 2.73Å; E387-K390 PolarHBondContact O-N 2.59Å; E387-K390 WeakPolarHBondContact OE1-CD 3.38Å; E387-K390 IonicContact OE1-NZ 3.04Å; E387-K390 PolarHBondContact OE1-NZ 3.03Å; E387-K390 IonicContact OE2-NZ 2.64Å; E387-K390 PolarHBondContact OE2-NZ 3.28Å; H388-K390 VanDerWaalsContact C-N 3.32Å; H388-K390 PolarHBondContact O-N 3.49Å; K390-N393 PolarHBondContact O-N 2.92Å; K390-Q394 PolarHBondContact O-N 3.48Å
391	L	81.3	Confident	81.5	Confident	108 Å²	108	104.5 Å²	104.5	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-66	-40.9	175.9	-173.2	65.6	0	0	0	111.8	E387 H388 N393 Q394 F395	E387-L391 VanDerWaalsContact O-CB 3.26Å; E387-L391 WeakPolarHBondContact O-CB 3.48Å; E387-L391 PolarHBondContact O-N 2.91Å; H388-L391 PolarHBondContact O-N 2.69Å; L391-N393 PolarHBondContact O-N 3.34Å; L391-Q394 WeakPolarHBondContact O-CB 3.36Å; L391-Q394 PolarHBondContact O-N 3.11Å; L391-F395 WeakPolarHBondContact O-CB 3.14Å; L391-F395 PolarHBondContact O-N 3.27Å
392	T	81	Confident	82	Confident	63 Å²	63	104.7 Å²	104.7	39%	0.387	51%	0.511	S	S	.	.	H	α-helix	trans	-59.4	-45.9	172.6	-59	0	0	0	0	110.9	H388 Q394 F395 Q396	H388-T392 PolarHBondContact CE1-OG1 2.98Å; H388-T392 PolarHBondContact ND1-OG1 2.8Å; H388-T392 VanDerWaalsContact ND1-OG1 3.14Å; H388-T392 WeakPolarHBondContact O-CB 3.37Å; H388-T392 PolarHBondContact O-N 2.86Å; H388-T392 PolarHBondContact O-OG1 3.14Å; T392-Q394 VanDerWaalsContact C-N 3.32Å; T392-Q394 PolarHBondContact O-N 2.88Å; T392-F395 PolarHBondContact O-N 2.9Å; T392-Q396 WeakPolarHBondContact O-CB 3.38Å; T392-Q396 PolarHBondContact O-N 3.48Å
393	N	83.3	Confident	82.2	Confident	96 Å²	96	108.2 Å²	108.2	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-33.6	175.8	-76.2	-42	0	0	0	113	Q389 K390 L391 R397	Q389-N393 WeakPolarHBondContact O-CB 3.43Å; Q389-N393 PolarHBondContact O-N 3.32Å; Q389-N393 PolarHBondContact O-ND2 2.89Å; K390-N393 PolarHBondContact O-N 2.92Å; L391-N393 PolarHBondContact O-N 3.34Å; N393-R397 WeakPolarHBondContact O-CG 3.43Å; N393-R397 PolarHBondContact O-N 2.84Å; N393-R397 VanDerWaalsContact O-N 3.15Å
394	Q	83.1	Confident	82.4	Confident	126 Å²	126	110 Å²	110	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-68.7	-42.2	173.7	-172.8	176.1	1.9	0	0	111.6	K390 L391 T392 R397 F398	K390-Q394 PolarHBondContact O-N 3.48Å; L391-Q394 WeakPolarHBondContact O-CB 3.36Å; L391-Q394 PolarHBondContact O-N 3.11Å; T392-Q394 VanDerWaalsContact C-N 3.32Å; T392-Q394 PolarHBondContact O-N 2.88Å; Q394-R397 PolarHBondContact O-N 3.22Å; Q394-F398 WeakPolarHBondContact O-CB 3.46Å; Q394-F398 PolarHBondContact O-N 2.91Å
395	F	82.6	Confident	82.6	Confident	149 Å²	149	110.1 Å²	110.1	65%	0.654	53%	0.529	S	S	*	.	H	α-helix	trans	-66.4	-39.3	175.8	-164.8	-90.8	0	0	0	111.9	L391 T392 R397 F398 S399	L391-F395 WeakPolarHBondContact O-CB 3.14Å; L391-F395 PolarHBondContact O-N 3.27Å; T392-F395 PolarHBondContact O-N 2.9Å; F395-R397 PolarHBondContact O-N 3.35Å; F395-F398 PolarHBondContact O-N 2.87Å; F395-S399 WeakPolarHBondContact O-CB 3.19Å; F395-S399 PolarHBondContact O-N 3.4Å
396	Q	81.4	Confident	82.6	Confident	115 Å²	115	109 Å²	109	54%	0.537	53%	0.526	S	S	.	.	H	α-helix	trans	-56.9	-48.9	173	-165.6	80.5	20.4	0	0	111	T392 S399 E400	T392-Q396 WeakPolarHBondContact O-CB 3.38Å; T392-Q396 PolarHBondContact O-N 3.48Å; Q396-S399 WeakPolarHBondContact O-CB 3.47Å; Q396-S399 PolarHBondContact O-N 3.4Å; Q396-E400 PolarHBondContact O-N 3.14Å
397	R	84.5	Confident	82.6	Confident	180 Å²	180	105.8 Å²	105.8	68%	0.679	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-44.3	176.1	-74.8	178.1	172.2	-153	-2.4	112.6	N393 Q394 F395 S399 E400 D401	N393-R397 WeakPolarHBondContact O-CG 3.43Å; N393-R397 PolarHBondContact O-N 2.84Å; N393-R397 VanDerWaalsContact O-N 3.15Å; Q394-R397 PolarHBondContact O-N 3.22Å; F395-R397 PolarHBondContact O-N 3.35Å; R397-S399 VanDerWaalsContact C-N 3.28Å; R397-S399 PolarHBondContact O-N 2.98Å; R397-E400 PolarHBondContact O-N 3.3Å; R397-D401 PolarHBondContact O-N 3.18Å
398	F	84.7	Confident	82.9	Confident	132 Å²	132	105.6 Å²	105.6	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-61.2	-38	177.1	-172.9	-97.7	0	0	0	111.9	Q394 F395 D401 L402	Q394-F398 WeakPolarHBondContact O-CB 3.46Å; Q394-F398 PolarHBondContact O-N 2.91Å; F395-F398 PolarHBondContact O-N 2.87Å; F398-D401 PolarHBondContact O-N 2.8Å; F398-L402 VanDerWaalsContact O-CB 3.22Å; F398-L402 WeakPolarHBondContact O-CB 3.34Å; F398-L402 PolarHBondContact O-N 3.04Å
399	S	81.2	Confident	82.9	Confident	63 Å²	63	104.4 Å²	104.4	44%	0.441	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-45.5	173	-170.9	0	0	0	0	112.1	F395 Q396 R397 D401 L402 Q403	F395-S399 WeakPolarHBondContact O-CB 3.19Å; F395-S399 PolarHBondContact O-N 3.4Å; Q396-S399 WeakPolarHBondContact O-CB 3.47Å; Q396-S399 PolarHBondContact O-N 3.4Å; R397-S399 VanDerWaalsContact C-N 3.28Å; R397-S399 PolarHBondContact O-N 2.98Å; S399-D401 PolarHBondContact O-N 3.42Å; S399-L402 PolarHBondContact O-N 3.41Å; S399-Q403 WeakPolarHBondContact O-CB 3.48Å; S399-Q403 PolarHBondContact O-N 2.97Å
400	E	82.6	Confident	82.8	Confident	92 Å²	92	102.8 Å²	102.8	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-42.5	174.6	-71.6	-176.1	-175.7	0	0	112.7	Q396 R397 Q403 K404	Q396-E400 PolarHBondContact O-N 3.14Å; R397-E400 PolarHBondContact O-N 3.3Å; E400-Q403 PolarHBondContact O-N 3.17Å; E400-K404 WeakPolarHBondContact O-CE 3.46Å; E400-K404 VanDerWaalsContact O-CG 3.25Å; E400-K404 WeakPolarHBondContact O-CG 3.37Å; E400-K404 PolarHBondContact O-N 3.01Å; E400-K404 IonicContact OE2-NZ 2.69Å
401	D	85.5	Confident	82.6	Confident	89 Å²	89	100.6 Å²	100.6	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-72.5	-34.9	180	-69.2	-27.3	0	0	0	112.4	R397 F398 S399 Q403 K404 S405	R397-D401 PolarHBondContact O-N 3.18Å; F398-D401 PolarHBondContact O-N 2.8Å; S399-D401 PolarHBondContact O-N 3.42Å; D401-Q403 VanDerWaalsContact C-N 3.34Å; D401-K404 PolarHBondContact O-N 3.07Å; D401-K404 IonicContact OD1-NZ 3.59Å; D401-K404 PolarHBondContact OD1-NZ 2.99Å; D401-S405 WeakPolarHBondContact O-CB 3.42Å; D401-S405 PolarHBondContact O-N 3.41Å
402	L	84.5	Confident	82.6	Confident	89 Å²	89	99.3 Å²	99.3	47%	0.466	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-39.5	169.7	-172.3	69.2	0	0	0	111.3	F398 S399 S405 T406	F398-L402 VanDerWaalsContact O-CB 3.22Å; F398-L402 WeakPolarHBondContact O-CB 3.34Å; F398-L402 PolarHBondContact O-N 3.04Å; S399-L402 PolarHBondContact O-N 3.41Å; L402-S405 PolarHBondContact O-N 2.99Å; L402-T406 WeakPolarHBondContact O-CB 3.39Å; L402-T406 PolarHBondContact O-N 3.44Å; L402-T406 PolarHBondContact O-OG1 2.86Å
403	Q	81.4	Confident	82.5	Confident	144 Å²	144	102 Å²	102	67%	0.673	52%	0.522	S	S	*	.	H	α-helix	trans	-67.3	-41.1	176.7	-165.3	172.9	38.5	0	0	111.8	S399 E400 D401 T406 A407	S399-Q403 WeakPolarHBondContact O-CB 3.48Å; S399-Q403 PolarHBondContact O-N 2.97Å; E400-Q403 PolarHBondContact O-N 3.17Å; D401-Q403 VanDerWaalsContact C-N 3.34Å; Q403-T406 PolarHBondContact O-N 3.49Å; Q403-A407 WeakPolarHBondContact O-CB 3.46Å; Q403-A407 PolarHBondContact O-N 3.38Å
404	K	85.4	Confident	82.2	Confident	115 Å²	115	100.7 Å²	100.7	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-60.4	-44.9	170.9	-67.6	161.1	-148	161.1	0	111.5	E400 D401 A407 N408	E400-K404 WeakPolarHBondContact O-CE 3.46Å; E400-K404 VanDerWaalsContact O-CG 3.25Å; E400-K404 WeakPolarHBondContact O-CG 3.37Å; E400-K404 PolarHBondContact O-N 3.01Å; E400-K404 IonicContact OE2-NZ 2.69Å; D401-K404 PolarHBondContact O-N 3.07Å; D401-K404 IonicContact OD1-NZ 3.59Å; D401-K404 PolarHBondContact OD1-NZ 2.99Å; K404-A407 PolarHBondContact O-N 3.13Å; K404-N408 PolarHBondContact O-N 2.93Å
405	S	82.3	Confident	81.9	Confident	61 Å²	61	98.3 Å²	98.3	43%	0.427	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-42.9	178.3	-171.3	0	0	0	0	112	D401 L402 N408 L409	D401-S405 WeakPolarHBondContact O-CB 3.42Å; D401-S405 PolarHBondContact O-N 3.41Å; L402-S405 PolarHBondContact O-N 2.99Å; S405-N408 PolarHBondContact O-N 2.66Å; S405-L409 WeakPolarHBondContact O-CG 3.36Å; S405-L409 PolarHBondContact O-N 2.97Å
406	T	81.8	Confident	81.5	Confident	66 Å²	66	96.2 Å²	96.2	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-41.5	175.9	-56.5	0	0	0	0	111.7	L402 Q403 N408 L409 N410	L402-T406 WeakPolarHBondContact O-CB 3.39Å; L402-T406 PolarHBondContact O-N 3.44Å; L402-T406 PolarHBondContact O-OG1 2.86Å; Q403-T406 PolarHBondContact O-N 3.49Å; T406-N408 VanDerWaalsContact C-N 3.35Å; T406-N408 PolarHBondContact O-N 3.2Å; T406-L409 PolarHBondContact O-N 2.98Å; T406-N410 WeakPolarHBondContact O-CB 3.48Å; T406-N410 VanDerWaalsContact O-CG 3.3Å; T406-N410 PolarHBondContact O-N 2.85Å
407	A	81.9	Confident	81	Confident	60 Å²	60	93.2 Å²	93.2	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-41.1	174.2	0	0	0	0	0	112.2	Q403 K404 N410 S411	Q403-A407 WeakPolarHBondContact O-CB 3.46Å; Q403-A407 PolarHBondContact O-N 3.38Å; K404-A407 PolarHBondContact O-N 3.13Å; A407-N410 PolarHBondContact O-N 3.36Å; A407-S411 PolarHBondContact O-N 2.78Å
408	N	85.6	Confident	79.9	Confident	100 Å²	100	90.5 Å²	90.5	54%	0.535	50%	0.5	S	S	.	.	H	α-helix	trans	-65.4	-43.5	175.8	-167.3	31	0	0	0	112	K404 S405 T406 N410 S411 I412	K404-N408 PolarHBondContact O-N 2.93Å; S405-N408 PolarHBondContact O-N 2.66Å; T406-N408 VanDerWaalsContact C-N 3.35Å; T406-N408 PolarHBondContact O-N 3.2Å; N408-N410 VanDerWaalsContact C-N 3.35Å; N408-N410 PolarHBondContact O-N 3.37Å; N408-S411 WeakPolarHBondContact O-CB 3.34Å; N408-S411 PolarHBondContact O-N 3.2Å; N408-I412 WeakPolarHBondContact O-CG1 3.43Å; N408-I412 PolarHBondContact O-N 2.92Å
409	L	80.9	Confident	78.8	Confident	103 Å²	103	87.4 Å²	87.4	54%	0.539	50%	0.499	S	S	.	.	H	α-helix	trans	-62.1	-39.7	174.4	-74.3	175.3	0	0	0	112.3	S405 T406 S411 I412 L413	S405-L409 WeakPolarHBondContact O-CG 3.36Å; S405-L409 PolarHBondContact O-N 2.97Å; T406-L409 PolarHBondContact O-N 2.98Å; L409-S411 VanDerWaalsContact C-N 3.34Å; L409-S411 PolarHBondContact O-N 2.84Å; L409-I412 PolarHBondContact O-N 3.16Å; L409-L413 WeakPolarHBondContact O-CB 3.2Å; L409-L413 PolarHBondContact O-N 2.82Å
410	N	79.5	Confident	77.7	Confident	93 Å²	93	89.9 Å²	89.9	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-65.9	-35.2	175.2	-72.7	-10.2	0	0	0	112.3	T406 A407 N408 S414	T406-N410 WeakPolarHBondContact O-CB 3.48Å; T406-N410 VanDerWaalsContact O-CG 3.3Å; T406-N410 PolarHBondContact O-N 2.85Å; A407-N410 PolarHBondContact O-N 3.36Å; N408-N410 VanDerWaalsContact C-N 3.35Å; N408-N410 PolarHBondContact O-N 3.37Å; N410-S414 WeakPolarHBondContact O-CB 3.33Å; N410-S414 PolarHBondContact O-N 3.32Å; N410-S414 PolarHBondContact O-OG 3.32Å
411	S	79.4	Confident	76.4	Confident	69 Å²	69	95.4 Å²	95.4	48%	0.483	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-45.1	172.4	-173.6	0	0	0	0	112.2	A407 N408 L409 S414 S415	A407-S411 PolarHBondContact O-N 2.78Å; N408-S411 WeakPolarHBondContact O-CB 3.34Å; N408-S411 PolarHBondContact O-N 3.2Å; L409-S411 VanDerWaalsContact C-N 3.34Å; L409-S411 PolarHBondContact O-N 2.84Å; S411-S414 PolarHBondContact O-N 3.44Å; S411-S415 WeakPolarHBondContact O-CB 3.36Å; S411-S415 PolarHBondContact O-N 2.83Å; S411-S415 PolarHBondContact O-OG 3.39Å
412	I	83.1	Confident	74.9	Confident	80 Å²	80	100 Å²	100	41%	0.41	54%	0.544	S	S	.	.	H	α-helix	trans	-63.1	-46.8	175.3	-67.5	163.8	0	0	0	110.6	N408 L409 S414 S415 L416	N408-I412 WeakPolarHBondContact O-CG1 3.43Å; N408-I412 PolarHBondContact O-N 2.92Å; L409-I412 PolarHBondContact O-N 3.16Å; I412-S414 VanDerWaalsContact C-N 3.33Å; I412-S414 PolarHBondContact O-N 3.02Å; I412-S415 WeakPolarHBondContact O-CB 3.43Å; I412-S415 PolarHBondContact O-N 3.49Å; I412-S415 VanDerWaalsContact O-N 3.15Å; I412-L416 HydrophobicContact CG2-CD1 3.79Å; I412-L416 WeakPolarHBondContact O-CD1 3.43Å; I412-L416 PolarHBondContact O-N 2.85Å
413	L	77.5	Confident	73.1	Confident	120 Å²	120	99.6 Å²	99.6	63%	0.628	55%	0.554	S	S	*	*	H	α-helix	trans	-62.1	-40.3	178.8	-160.9	78.6	0	0	0	111.8	L409 S415 L416 S417	L409-L413 WeakPolarHBondContact O-CB 3.2Å; L409-L413 PolarHBondContact O-N 2.82Å; L413-S415 VanDerWaalsContact C-N 3.33Å; L413-S415 PolarHBondContact O-N 3.31Å; L413-L416 PolarHBondContact O-N 3.14Å; L413-S417 WeakPolarHBondContact O-CB 3.11Å; L413-S417 PolarHBondContact O-N 2.96Å
414	S	77	Confident	71.4	Confident	68 Å²	68	98.9 Å²	98.9	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-61.7	-42.7	174.3	-59.6	0	0	0	0	111.2	N410 S411 I412 S417 M418	N410-S414 WeakPolarHBondContact O-CB 3.33Å; N410-S414 PolarHBondContact O-N 3.32Å; N410-S414 PolarHBondContact O-OG 3.32Å; S411-S414 PolarHBondContact O-N 3.44Å; I412-S414 VanDerWaalsContact C-N 3.33Å; I412-S414 PolarHBondContact O-N 3.02Å; S414-S417 PolarHBondContact O-N 3.49Å; S414-S417 PolarHBondContact O-OG 2.9Å; S414-M418 PolarHBondContact O-N 3.33Å; S414-M418 VanDerWaalsContact O-N 3.15Å
415	S	77.8	Confident	69.2	Low	76 Å²	76	100.2 Å²	100.2	53%	0.531	57%	0.573	S	S	.	*	H	α-helix	trans	-64.6	-43	177.9	-61.3	0	0	0	0	112.3	S411 I412 L413 M418 A419	S411-S415 WeakPolarHBondContact O-CB 3.36Å; S411-S415 PolarHBondContact O-N 2.83Å; S411-S415 PolarHBondContact O-OG 3.39Å; I412-S415 WeakPolarHBondContact O-CB 3.43Å; I412-S415 PolarHBondContact O-N 3.49Å; I412-S415 VanDerWaalsContact O-N 3.15Å; L413-S415 VanDerWaalsContact C-N 3.33Å; L413-S415 PolarHBondContact O-N 3.31Å; S415-M418 PolarHBondContact O-N 2.6Å; S415-A419 PolarHBondContact O-N 2.87Å
416	L	74.4	Confident	67.3	Low	105 Å²	105	100.6 Å²	100.6	55%	0.55	59%	0.586	S	S	.	*	H	α-helix	trans	-66.1	-36	172.1	-86.4	83.5	0	0	0	112.3	I412 L413 M418 A419 V420	I412-L416 HydrophobicContact CG2-CD1 3.79Å; I412-L416 WeakPolarHBondContact O-CD1 3.43Å; I412-L416 PolarHBondContact O-N 2.85Å; L413-L416 PolarHBondContact O-N 3.14Å; L416-M418 PolarHBondContact O-N 3.42Å; L416-A419 WeakPolarHBondContact O-CB 3.31Å; L416-A419 PolarHBondContact O-N 3.25Å; L416-A419 VanDerWaalsContact O-N 3.08Å; L416-V420 WeakPolarHBondContact O-CG2 2.96Å; L416-V420 PolarHBondContact O-N 2.68Å
417	S	69	Low	65.5	Low	52 Å²	52	104.7 Å²	104.7	36%	0.364	60%	0.6	S	S	.	*	H	α-helix	trans	-63.1	-31.1	177.7	83.7	0	0	0	0	112.9	L413 S414 R421	L413-S417 WeakPolarHBondContact O-CB 3.11Å; L413-S417 PolarHBondContact O-N 2.96Å; S414-S417 PolarHBondContact O-N 3.49Å; S414-S417 PolarHBondContact O-OG 2.9Å; S417-R421 WeakPolarHBondContact O-CG 3.46Å
418	M	61.5	Low	63.5	Low	123 Å²	123	109.5 Å²	109.5	61%	0.606	62%	0.618	S	S	*	*	H	α-helix	trans	-74.2	-34.4	172.5	-72.6	-67.7	128.4	0	0	112.5	S414 S415 L416	S414-M418 PolarHBondContact O-N 3.33Å; S414-M418 VanDerWaalsContact O-N 3.15Å; S415-M418 PolarHBondContact O-N 2.6Å; L416-M418 PolarHBondContact O-N 3.42Å
419	A	61.6	Low	61.3	Low	67 Å²	67	111 Å²	111	55%	0.554	63%	0.631	S	S	*	*	H	α-helix	trans	-68.8	-42.9	176.5	0	0	0	0	0	112.4	S415 L416 R421 K422	S415-A419 PolarHBondContact O-N 2.87Å; L416-A419 WeakPolarHBondContact O-CB 3.31Å; L416-A419 PolarHBondContact O-N 3.25Å; L416-A419 VanDerWaalsContact O-N 3.08Å; A419-R421 PolarHBondContact O-N 3.44Å; A419-K422 PolarHBondContact O-N 2.69Å; A419-K422 VanDerWaalsContact O-N 3.16Å
420	V	58.3	Low	59.5	Low	115 Å²	115	112 Å²	112	70%	0.697	64%	0.643	S	S	*	*	H	α-helix	trans	-64	-28.4	-179.6	173.9	0	0	0	0	112.3	L416 K422	L416-V420 WeakPolarHBondContact O-CG2 2.96Å; L416-V420 PolarHBondContact O-N 2.68Å; V420-K422 PolarHBondContact O-N 3.18Å
421	R	55	Low	57.7	Low	209 Å²	209	114.2 Å²	114.2	79%	0.789	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	11.9	176.1	-66.8	-176.6	-172.3	-141.4	3.8	114.7	S417 A419	S417-R421 WeakPolarHBondContact O-CG 3.46Å; A419-R421 PolarHBondContact O-N 3.44Å
422	K	55.8	Low	55.8	Low	186 Å²	186	118.8 Å²	118.8	81%	0.809	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	12.8	179.8	-78.3	-171.9	171.1	-177.1	0	115.5	A419 V420	A419-K422 PolarHBondContact O-N 2.69Å; A419-K422 VanDerWaalsContact O-N 3.16Å; V420-K422 PolarHBondContact O-N 3.18Å
423	A	46	Very low	53.8	Low	80 Å²	80	120.6 Å²	120.6	66%	0.661	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-89.7	133	174.3	0	0	0	0	0	112.3
424	P	45.4	Very low	52	Low	129 Å²	129	119.4 Å²	119.4	84%	0.838	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-73.7	163.6	175.5	-18	32.7	0	0	0	114.5
425	I	40.1	Very low	50.3	Low	143 Å²	143	124.2 Å²	124.2	73%	0.733	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-93.7	142.7	-177	-58.6	169.8	0	0	0	111.1
426	G	40.7	Very low	48.7	Very low	69 Å²	69	125.8 Å²	125.8	71%	0.711	71%	0.708	S	S	*	*			trans	-123.6	156	159.7	0	0	0	0	0	110.4
427	H	45.1	Very low	47.1	Very low	151 Å²	151	126.7 Å²	126.7	70%	0.699	72%	0.72	S	S	*	*			trans	-124.5	148.2	-157	-30.6	-78.3	0	0	0	114
428	N	39.2	Very low	45.7	Very low	162 Å²	162	131.3 Å²	131.3	87%	0.866	75%	0.746	S	S	*	*				-175.3	157.1	128.6	-91.7	-30.8	0	0	0	112.4
429	T	39	Very low	44.5	Very low	131 Å²	131	134.3 Å²	134.3	80%	0.804	76%	0.759	S	S	*	*			trans	-116.9	-160.5	-174.9	55.1	0	0	0	0	109.2
430	P	44	Very low	43.4	Very low	123 Å²	123	138.5 Å²	138.5	80%	0.799	78%	0.777	S	S	*	*			cis	-137.5	-148.6	1.3	42.2	-19.9	0	0	0	113.6
431	H	40.7	Very low	42.4	Very low	140 Å²	140	136 Å²	136	65%	0.648	78%	0.775	S	S	*	*				-168.6	125	-72.9	-172.3	-49.7	0	0	0	110.8	N433	H431-N433 PolarHBondContact CE1-OD1 3.17Å; H431-N433 VanDerWaalsContact CE1-OD1 3.25Å
432	I	41.5	Very low	41.4	Very low	165 Å²	165	133.6 Å²	133.6	85%	0.846	78%	0.777	S	S	*	*			trans	-148.7	111.6	173.5	-61.5	-179.4	0	0	0	105.9
433	N	41.1	Very low	40.7	Very low	119 Å²	119	130.5 Å²	130.5	64%	0.636	78%	0.776	S	S	*	*			cis	66.3	130.9	44.9	-77.6	-15.8	0	0	0	115.2	H431	H431-N433 PolarHBondContact CE1-OD1 3.17Å; H431-N433 VanDerWaalsContact CE1-OD1 3.25Å
434	S	39.1	Very low	40.1	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	78%	0.775	S	S	*	*			cis	-173.6	163.9	-1.6	45.9	0	0	0	0	110.5
435	L	41.6	Very low	39.7	Very low	169 Å²	169	132.4 Å²	132.4	89%	0.885	78%	0.777	S	S	*	*			trans	162.9	161	140.7	-84.5	165	0	0	0	111.2
436	P	43.9	Very low	39.7	Very low	108 Å²	108	131 Å²	131	70%	0.701	78%	0.777	S	S	*	*			trans	-123.7	174.1	-143	43.4	-32.3	0	0	0	117.4
437	P	39.7	Very low	39.3	Very low	125 Å²	125	139 Å²	139	81%	0.812	79%	0.786	S	S	*	*			trans	-99.5	170.9	-177.8	39.4	-36.3	0	0	0	115.3
438	T	41.1	Very low	39.1	Very low	149 Å²	149	137.6 Å²	137.6	91%	0.914	79%	0.79	S	S	*	*			trans	-133.9	159.6	173.1	-36.3	0	0	0	0	111
439	Q	36.5	Very low	39.1	Very low	186 Å²	186	136 Å²	136	87%	0.869	79%	0.786	S	S	*	*			trans	-104.7	140.7	-158.7	-61.5	178.9	16.8	0	0	117.4
440	T	38.4	Very low	38.6	Very low	154 Å²	154	138.2 Å²	138.2	95%	0.945	79%	0.79	S	S	*	*			trans	-171.5	163.7	148.8	10.7	0	0	0	0	107.3
441	G	37.1	Very low	38.4	Very low	63 Å²	63	139.7 Å²	139.7	65%	0.649	79%	0.791	S	S	*	*			cis	-163.9	-165	-0.8	0	0	0	0	0	110.6
442	L	34.2	Very low	38.1	Very low	159 Å²	159	140.5 Å²	140.5	83%	0.832	80%	0.8	S	S	*	*			trans	-145	169.7	-179.5	-82.6	100.9	0	0	0	110.5
443	P	39.8	Very low	38.1	Very low	120 Å²	120	141.1 Å²	141.1	78%	0.779	80%	0.803	S	S	*	*			cis	-115.1	157	-0.8	33.8	-17.9	0	0	0	113.3
444	T	34.3	Very low	37.7	Very low	106 Å²	106	142.2 Å²	142.2	65%	0.65	81%	0.809	S	S	*	*			cis	87.1	100.5	42.9	-53.4	0	0	0	0	115.2
445	V	37.2	Very low	37.6	Very low	144 Å²	144	144.5 Å²	144.5	87%	0.873	82%	0.818	S	S	*	*			trans	-137.3	128.8	150	-179.5	0	0	0	0	107.8
446	P	38.6	Very low	37.2	Very low	113 Å²	113	142.9 Å²	142.9	73%	0.734	81%	0.811	S	S	*	*			trans	-97.4	148.2	-168.7	35.9	-34.4	0	0	0	114.8
447	R	32.4	Very low	36.8	Very low	238 Å²	238	144 Å²	144	90%	0.898	81%	0.81	S	S	*	*			trans	-111.2	116.1	166.2	-178.2	-178.1	-179.5	-171.6	1.3	109.3
448	P	42.3	Very low	36.6	Very low	120 Å²	120	143.1 Å²	143.1	78%	0.779	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.6	160.3	-177.7	30.2	-34.6	0	0	0	113.3
449	T	37.9	Very low	36.3	Very low	129 Å²	129	144.7 Å²	144.7	79%	0.791	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-87.7	161.4	-173.8	47.5	0	0	0	0	113.7
450	M	29.6	Very low	36.1	Very low	178 Å²	178	147.5 Å²	147.5	88%	0.877	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-78	152.3	162.1	-58	179.9	79.3	0	0	109.9
451	N	40.1	Very low	35.7	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	79%	0.789	S	S	*	*			trans	-128.4	137.8	160.4	-82.4	-4.7	0	0	0	108
452	D	34.5	Very low	35.4	Very low	158 Å²	158	150.6 Å²	150.6	85%	0.845	80%	0.796	S	S	*	*			trans	-80.6	148.3	-178.7	-44.8	-92	0	0	0	113
453	I	39.9	Very low	35.4	Very low	177 Å²	177	150.1 Å²	150.1	91%	0.908	79%	0.789	S	S	*	*			trans	-137.8	136.7	140.3	-59.7	-173.4	0	0	0	107.8
454	D	34	Very low	35.1	Very low	142 Å²	142	148.6 Å²	148.6	76%	0.759	78%	0.782	S	S	*	*			trans	-93.8	-172.6	-172	-157.3	-16.2	0	0	0	112.6
455	V	37	Very low	35.2	Very low	143 Å²	143	152.3 Å²	152.3	87%	0.867	79%	0.792	S	S	*	*			trans	115.9	142.1	162.6	-175.1	0	0	0	0	115.1
456	N	32.5	Very low	35.1	Very low	136 Å²	136	149.2 Å²	149.2	73%	0.727	78%	0.776	S	S	*	*			trans	-132	-175.8	-138.2	-161.6	-18.3	0	0	0	112.4
457	I	35.6	Very low	34.7	Very low	132 Å²	132	151.6 Å²	151.6	68%	0.677	78%	0.775	S	S	*	*			trans	93.3	94.7	149.4	-73.5	167.5	0	0	0	120.8
458	T	35.3	Very low	34.7	Very low	105 Å²	105	145.7 Å²	145.7	64%	0.644	77%	0.766	S	S	*	*				76.7	118.1	126.6	68.8	0	0	0	0	126.5
459	K	35.4	Very low	34.2	Very low	182 Å²	182	149 Å²	149	79%	0.791	77%	0.768	S	S	*	*				76.1	132.2	117.4	-70.7	178.5	176.5	171.9	0	123.8
460	R	31.1	Very low	33.8	Very low	246 Å²	246	151.3 Å²	151.3	93%	0.928	76%	0.763	S	S	*	*			trans	81	117.5	145.8	-74.1	171.7	174.3	-177.7	-1.5	120.5
461	G	30.8	Very low	34	Very low	72 Å²	72	152.3 Å²	152.3	74%	0.742	76%	0.757	S	S	*	*				138.2	98.9	111.8	0	0	0	0	0	120.6
462	R	30.3	Very low	33.9	Very low	209 Å²	209	152.6 Å²	152.6	79%	0.789	75%	0.753	S	S	*	*			trans	42.5	125.5	144.5	-65.5	177.3	68.9	154.9	1.5	121.5
463	Q	34.5	Very low	34.1	Very low	150 Å²	150	151.2 Å²	151.2	70%	0.701	76%	0.756	S	S	*	*			trans	67.5	151.1	132.9	-69.1	176.2	-45.1	0	0	118.5
464	S	34.1	Very low	33.9	Very low	88 Å²	88	145.8 Å²	145.8	62%	0.615	74%	0.744	S	S	*	*			cis	-174.4	153	-12.2	48.9	0	0	0	0	111
465	Q	35.5	Very low	34.1	Very low	184 Å²	184	147.4 Å²	147.4	86%	0.86	75%	0.752	S	S	*	*			trans	65.8	156.5	161.2	-69.7	-179.6	23.6	0	0	116.5
466	S	34.7	Very low	34.1	Very low	78 Å²	78	145.5 Å²	145.5	55%	0.545	75%	0.745	S	S	.	*			cis	-171.8	155.1	-19.3	56.5	0	0	0	0	111.5
467	K	31	Very low	34.3	Very low	163 Å²	163	143.6 Å²	143.6	71%	0.709	75%	0.748	S	S	*	*			trans	67.7	154.8	152.6	-70.4	162.4	-179	170.2	0	114.6	E352	E352-K467 IonicContact OE2-NZ 3.59Å
468	T	32.3	Very low	34.4	Very low	115 Å²	115	142.5 Å²	142.5	71%	0.706	76%	0.758	S	S	*	*			cis	-162.1	146.4	10.8	-9.3	0	0	0	0	114.6
469	K	31.8	Very low	34.4	Very low	189 Å²	189	141.8 Å²	141.8	82%	0.822	76%	0.764	S	S	*	*			trans	60.9	137.6	135	-90.6	173.8	-178.2	-178.7	0	125.5
470	Y	29.9	Very low	34.7	Very low	178 Å²	178	139.4 Å²	139.4	70%	0.698	77%	0.767	S	S	*	*			trans	78.3	152.6	142.8	-117.8	-157.2	0	0	0	119.1
471	R	33.4	Very low	35.1	Very low	199 Å²	199	133.9 Å²	133.9	75%	0.751	76%	0.76	S	S	*	*			cis	-149.1	167.7	9.1	-166.8	170.7	-168.6	-177.5	2.7	113.1
472	Q	39	Very low	35.6	Very low	158 Å²	158	137.8 Å²	137.8	74%	0.738	76%	0.763	S	S	*	*			trans	-88.2	151.9	-178.6	-48.5	149.3	-75.3	0	0	116.2
473	S	37.8	Very low	36	Very low	129 Å²	129	135.1 Å²	135.1	90%	0.902	76%	0.764	S	S	*	*			trans	178.3	157.4	133.8	51.6	0	0	0	0	109.8
474	G	35.5	Very low	36	Very low	63 Å²	63	132.4 Å²	132.4	65%	0.649	77%	0.767	S	S	*	*			cis	161.1	155.9	-10.5	0	0	0	0	0	112.3
475	L	39.2	Very low	36.3	Very low	176 Å²	176	133.6 Å²	133.6	92%	0.921	77%	0.773	S	S	*	*			trans	76	156.8	170.4	-50.7	166.6	0	0	0	118.2
476	S	36.3	Very low	36.2	Very low	103 Å²	103	130.4 Å²	130.4	72%	0.72	77%	0.77	S	S	*	*			cis	-176.4	154.1	-40.7	56.6	0	0	0	0	113.6
477	A	36.7	Very low	36.4	Very low	96 Å²	96	131.2 Å²	131.2	79%	0.793	78%	0.782	S	S	*	*			trans	99.1	115.1	143.1	0	0	0	0	0	124.4
478	A	36.7	Very low	36.8	Very low	109 Å²	109	128.6 Å²	128.6	90%	0.901	78%	0.781	S	S	*	*				80.4	149.1	126.8	0	0	0	0	0	124.7
479	A	36.4	Very low	37	Very low	91 Å²	91	129.5 Å²	129.5	75%	0.752	79%	0.786	S	S	*	*			trans	-126.1	-173.8	175.7	0	0	0	0	0	110.8
480	P	41.9	Very low	37.3	Very low	132 Å²	132	125.1 Å²	125.1	86%	0.857	78%	0.779	S	S	*	*				-155.3	-154.6	82.2	42.1	-19.5	0	0	0	116.5
481	V	39.5	Very low	37.6	Very low	130 Å²	130	122 Å²	122	79%	0.788	78%	0.783	S	S	*	*			trans	-122.3	153.2	-159	174.1	0	0	0	0	114.3
482	L	41.5	Very low	37.6	Very low	153 Å²	153	117.7 Å²	117.7	80%	0.801	78%	0.784	S	S	*	*			trans	-155.5	127.2	156.5	-79.7	-171.3	0	0	0	117.2
483	N	37.9	Very low	37.3	Very low	153 Å²	153	115.4 Å²	115.4	82%	0.818	78%	0.781	S	S	*	*			trans	59.1	163.8	136.8	-61.9	-1.9	0	0	0	126.6
484	A	34.9	Very low	37	Very low	93 Å²	93	115.1 Å²	115.1	77%	0.769	77%	0.774	S	S	*	*			trans	-149.4	-156.4	-175.6	0	0	0	0	0	109.8
485	P	40.4	Very low	36.7	Very low	114 Å²	114	118.8 Å²	118.8	74%	0.74	78%	0.778	S	S	*	*			cis	-148.1	-169.4	1.5	46.6	-25.2	0	0	0	118.8
486	C	34.2	Very low	36.3	Very low	117 Å²	117	118.3 Å²	118.3	79%	0.791	77%	0.773	S	S	*	*			trans	68	111.6	146.7	-74.1	0	0	0	0	127.1
487	A	37.2	Very low	36.1	Very low	95 Å²	95	117.9 Å²	117.9	79%	0.785	77%	0.77	S	S	*	*				63.4	176.1	122.9	0	0	0	0	0	121.5
488	P	40	Very low	35.8	Very low	107 Å²	107	117.5 Å²	117.5	70%	0.695	76%	0.762	S	S	*	*			cis	-139.8	-172	-3.9	44.9	-26.3	0	0	0	117.7
489	V	37.2	Very low	35.5	Very low	134 Å²	134	118.8 Å²	118.8	81%	0.812	76%	0.759	S	S	*	*			trans	63.5	152.7	162.8	-51.5	0	0	0	0	119.8
490	S	38.3	Very low	35.4	Very low	98 Å²	98	123.2 Å²	123.2	69%	0.685	76%	0.764	S	S	*	*			cis	-147.4	161.3	13.6	-63.9	0	0	0	0	113.3
491	S	35.5	Very low	34.9	Very low	112 Å²	112	121.6 Å²	121.6	78%	0.783	76%	0.755	S	S	*	*			trans	64.2	170.3	158.5	34.8	0	0	0	0	119
492	S	34	Very low	34.6	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	76%	0.756	S	S	*	*			cis	-173.7	175.4	-32.4	-85.4	0	0	0	0	109.7
493	T	31.4	Very low	34.1	Very low	110 Å²	110	120.9 Å²	120.9	68%	0.675	75%	0.748	S	S	*	*			cis	-178.1	135.9	-40.7	-75.3	0	0	0	0	109.8
494	V	33.1	Very low	33.6	Very low	123 Å²	123	120.6 Å²	120.6	75%	0.745	74%	0.744	S	S	*	*			trans	58	160.4	173.2	-61.7	0	0	0	0	119.1
495	N	29.1	Very low	33.4	Very low	139 Å²	139	122.2 Å²	122.2	74%	0.743	75%	0.747	S	S	*	*			cis	-159.6	161	-25.2	-106	-2.6	0	0	0	112.7
496	M	30.9	Very low	32.9	Very low	166 Å²	166	122.8 Å²	122.8	82%	0.818	75%	0.748	S	S	*	*			trans	0.2	155	135.1	-62.1	-53.3	154.7	0	0	120.6
497	S	30.9	Very low	33.1	Very low	94 Å²	94	123.4 Å²	123.4	66%	0.657	75%	0.751	S	S	*	*			cis	-173.2	174	-4.6	50.6	0	0	0	0	114.4
498	S	31	Very low	32.8	Very low	89 Å²	89	122.3 Å²	122.3	62%	0.622	75%	0.749	S	S	*	*			trans	69.4	111.8	137.1	60.3	0	0	0	0	123.9
499	T	31.1	Very low	32.3	Very low	136 Å²	136	128.2 Å²	128.2	83%	0.834	76%	0.759	S	S	*	*				61.8	133.7	129.4	61.2	0	0	0	0	123.1
500	H	33	Very low	32.1	Very low	184 Å²	184	126.1 Å²	126.1	85%	0.852	76%	0.756	S	S	*	*			trans	-141.1	144.6	143.5	-134	-42.5	0	0	0	110.2
501	S	31.6	Very low	31.9	Very low	98 Å²	98	126.7 Å²	126.7	69%	0.685	76%	0.755	S	S	*	*			trans	-122.5	144	-179.5	49.1	0	0	0	0	112.2
502	Q	32.8	Very low	31.9	Very low	173 Å²	173	128.6 Å²	128.6	81%	0.808	76%	0.757	S	S	*	*			trans	-152.3	164.8	169	-75.7	-49.9	-35.3	0	0	109.5
503	P	30.9	Very low	32	Very low	95 Å²	95	131.7 Å²	131.7	62%	0.617	76%	0.759	S	S	*	*			trans	-122	166.5	-137.8	43.2	-34.5	0	0	0	117.9
504	I	28	Very low	32.3	Very low	147 Å²	147	135.8 Å²	135.8	75%	0.754	77%	0.77	S	S	*	*			trans	42.2	117.7	140.8	-59.8	163.6	0	0	0	117.7
505	P	30.4	Very low	32.2	Very low	127 Å²	127	137.5 Å²	137.5	83%	0.825	77%	0.773	S	S	*	*				-127.5	148	106.4	2.1	19	0	0	0	114.7
506	V	30.7	Very low	32.7	Very low	125 Å²	125	135.3 Å²	135.3	76%	0.758	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-97.6	136.4	170.7	-76.6	0	0	0	0	111.5
507	P	37.3	Very low	33.5	Very low	130 Å²	130	132.6 Å²	132.6	84%	0.844	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-74.6	125.3	160.5	-14.2	30.4	0	0	0	110.1
508	G	32.3	Very low	34.5	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-78.5	160.8	-177.5	0	0	0	0	0	114.4
509	Y	28.4	Very low	35.5	Very low	230 Å²	230	138.7 Å²	138.7	90%	0.902	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-84.3	118.5	169.5	-152.1	-93.1	0	0	0	108.6	T511	Y509-T511 HydrophobicContact CD1-CG2 4.48Å; Y509-T511 HydrophobicContact CE1-CG2 4.24Å
510	A	34	Very low	37.3	Very low	91 Å²	91	134.7 Å²	134.7	75%	0.752	75%	0.747	S	S	*	*			trans	-132.4	134.8	175.4	0	0	0	0	0	109.4
511	T	32.6	Very low	39.4	Very low	109 Å²	109	134 Å²	134	67%	0.669	74%	0.736	S	S	*	*			trans	-110.3	112.7	-177.5	46.5	0	0	0	0	110.7	Y509	Y509-T511 HydrophobicContact CD1-CG2 4.48Å; Y509-T511 HydrophobicContact CE1-CG2 4.24Å
512	D	35.4	Very low	41.9	Very low	152 Å²	152	133.2 Å²	133.2	81%	0.813	73%	0.729	S	S	*	*			trans	-132.9	123.5	153	-61.1	-66.6	0	0	0	104.4
513	E	36.5	Very low	44.4	Very low	174 Å²	174	125.4 Å²	125.4	81%	0.813	69%	0.693	S	S	*	*			cis	59	69.2	49.6	-60.1	-71.2	152.5	0	0	112.4
514	E	37.8	Very low	47.2	Very low	196 Å²	196	124.6 Å²	124.6	92%	0.916	69%	0.687	S	S	*	*				-170.4	164.1	122.4	-107.5	-175.9	-167.5	0	0	116.3
515	M	32	Very low	50	Low	160 Å²	160	125.2 Å²	125.2	79%	0.788	68%	0.68	S	S	*	*			trans	-47.6	135.2	-171.2	-69.5	-74.9	-169.4	0	0	119.4
516	S	38.4	Very low	52.8	Low	92 Å²	92	124.1 Å²	124.1	64%	0.643	67%	0.668	S	S	*	*			trans	-156.9	111.4	131.2	68.2	0	0	0	0	111.5	N518	S516-N518 VanDerWaalsContact C-N 3.3Å; S516-N518 PolarHBondContact O-N 2.99Å
517	E	48.1	Very low	55.8	Low	110 Å²	110	119.9 Å²	119.9	51%	0.514	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-75.9	-12.2	-174.7	-66.4	-161.2	103.9	0	0	114.6	N519 R553	E517-N519 PolarHBondContact O-N 3.48Å; E517-R553 IonicContact OE1-NH1 3.17Å; E517-R553 PolarHBondContact OE1-NH1 3.11Å
518	N	52.6	Low	58.4	Low	160 Å²	160	114.8 Å²	114.8	86%	0.856	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-82.8	-3.6	-166.2	-67.3	14.1	0	0	0	115.6	S516	S516-N518 VanDerWaalsContact C-N 3.3Å; S516-N518 PolarHBondContact O-N 2.99Å
519	N	52.8	Low	61.3	Low	150 Å²	150	118.3 Å²	118.3	80%	0.802	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-104.6	15.7	-175.3	-105.4	-32.4	0	0	0	114.4	E517 R521	E517-N519 PolarHBondContact O-N 3.48Å; N519-R521 PolarHBondContact O-N 3.09Å
520	V	68	Low	64.3	Low	53 Å²	53	111.4 Å²	111.4	32%	0.321	57%	0.571	S	S	.	*			trans	-73.1	113.5	179.7	179.3	0	0	0	0	110.9	P522 T575 R578	V520-P522 WeakPolarHBondContact O-CD 3.48Å; V520-T575 HydrophobicContact CB-CG2 4.24Å; V520-T575 HydrophobicContact CG2-CG2 4.02Å; V520-R578 HydrophobicContact CG1-CB 3.9Å; V520-R578 HydrophobicContact CG1-CG 3.55Å
521	R	77.7	Confident	67.2	Low	168 Å²	168	107.4 Å²	107.4	63%	0.634	54%	0.537	S	S	*	.			trans	-50.9	119.9	179.6	-172.2	179.3	96.9	170.3	4.5	111.2	N519 E527 R578	N519-R521 PolarHBondContact O-N 3.09Å; R521-E527 IonicContact CZ-OE1 2.75Å; R521-E527 IonicContact NH2-OE1 3.47Å; R521-E527 PolarHBondContact NH2-OE1 3.36Å; R521-E527 IonicContact NH2-OE2 3.17Å; R521-R578 PolarHBondContact O-NE 3.07Å; R521-R578 PolarHBondContact O-NH2 3.31Å
522	P	84.2	Confident	70	Confident	82 Å²	82	104 Å²	104	53%	0.532	52%	0.518	S	S	.	.			trans	-49.8	153.1	173.2	-29.8	36.7	0	0	0	112.4	V520 R578	V520-P522 WeakPolarHBondContact O-CD 3.48Å; P522-R578 PolarHBondContact O-NH2 2.89Å
523	M	84.5	Confident	72.7	Confident	9 Å²	9	100.5 Å²	100.5	4%	0.044	50%	0.498	C	S	.	.			trans	-109	121.9	-171.1	-158.2	162.3	86.9	0	0	109.9	E527 K528 L531 H574 L577	M523-E527 WeakPolarHBondContact CA-OE2 3.4Å; M523-E527 HydrophobicContact CG-CB 3.31Å; M523-E527 HydrophobicContact CG-CG 4.27Å; M523-E527 HydrophobicContact SD-CB 4.24Å; M523-K528 HydrophobicContact CE-CB 4.28Å; M523-K528 HydrophobicContact CE-CG 3.84Å; M523-L531 HydrophobicContact CE-CB 4.06Å; M523-L531 HydrophobicContact CE-CD2 3.6Å; M523-L531 HydrophobicContact CE-CG 4.48Å; M523-H574 PolarHBondContact N-CD2 2.71Å; M523-L577 HydrophobicContact CE-CB 3.73Å; M523-L577 HydrophobicContact CE-CD1 4.31Å; M523-L577 HydrophobicContact CE-CD2 3.95Å; M523-L577 HydrophobicContact CE-CG 4.22Å; M523-L577 HydrophobicContact SD-CB 4.1Å
524	T	89.2	Confident	75.5	Confident	79 Å²	79	93.6 Å²	93.6	49%	0.485	47%	0.467	S	S	.	.			trans	-66.7	161.1	-175.1	73.2	0	0	0	0	111.1	D526 E527 K528	T524-D526 PolarHBondContact O-N 2.91Å; T524-E527 PolarHBondContact N-OE2 2.83Å; T524-E527 CarbonylContact O-C 3.48Å; T524-E527 PolarHBondContact O-N 2.84Å; T524-E527 WeakPolarHBondContact OG1-CG 3.42Å; T524-E527 PolarHBondContact OG1-N 3.19Å; T524-E527 VanDerWaalsContact OG1-N 3.17Å; T524-K528 PolarHBondContact O-N 3.4Å
525	Y	87.7	Confident	78.1	Confident	159 Å²	159	84.9 Å²	84.9	62%	0.624	43%	0.426	S	S	*	.	H	α-helix	trans	-54.8	-40	176.4	177	-101	0	0	0	112.6	K528 R529	Y525-K528 PolarHBondContact O-N 2.87Å; Y525-R529 VanDerWaalsContact O-CB 3.25Å; Y525-R529 WeakPolarHBondContact O-CB 3.32Å; Y525-R529 PolarHBondContact O-N 3Å
526	D	88.4	Confident	80.8	Confident	104 Å²	104	83.5 Å²	83.5	56%	0.556	42%	0.423	S	S	*	.	H	α-helix	trans	-71.3	-34.5	175.1	-71.3	-54.6	0	0	0	113	T524 Q530	T524-D526 PolarHBondContact O-N 2.91Å; D526-Q530 VanDerWaalsContact O-CB 3.24Å; D526-Q530 WeakPolarHBondContact O-CB 3.45Å; D526-Q530 PolarHBondContact O-N 3.07Å
527	E	93.2	Very high	83.3	Confident	37 Å²	37	84.5 Å²	84.5	17%	0.173	42%	0.415	C	S	.	.	H	α-helix	trans	-65.6	-41.5	171.1	-71.5	177.1	131.5	0	0	111.4	R521 M523 T524 Q530 L531 R578	R521-E527 IonicContact CZ-OE1 2.75Å; R521-E527 IonicContact NH2-OE1 3.47Å; R521-E527 PolarHBondContact NH2-OE1 3.36Å; R521-E527 IonicContact NH2-OE2 3.17Å; M523-E527 WeakPolarHBondContact CA-OE2 3.4Å; M523-E527 HydrophobicContact CG-CB 3.31Å; M523-E527 HydrophobicContact CG-CG 4.27Å; M523-E527 HydrophobicContact SD-CB 4.24Å; T524-E527 PolarHBondContact N-OE2 2.83Å; T524-E527 CarbonylContact O-C 3.48Å; T524-E527 PolarHBondContact O-N 2.84Å; T524-E527 WeakPolarHBondContact OG1-CG 3.42Å; T524-E527 PolarHBondContact OG1-N 3.19Å; T524-E527 VanDerWaalsContact OG1-N 3.17Å; E527-Q530 PolarHBondContact O-N 3.16Å; E527-L531 WeakPolarHBondContact O-CB 3.19Å; E527-L531 PolarHBondContact O-N 2.9Å; E527-R578 VanDerWaalsContact CD-NH2 3.33Å; E527-R578 IonicContact OE1-CZ 3.41Å; E527-R578 IonicContact OE1-NH1 2.83Å; E527-R578 PolarHBondContact OE1-NH1 3.32Å; E527-R578 IonicContact OE1-NH2 2.73Å; E527-R578 PolarHBondContact OE1-NH2 2.93Å; E527-R578 VanDerWaalsContact OE1-NH2 3.16Å; E527-R578 IonicContact OE2-CZ 2.81Å; E527-R578 IonicContact OE2-NH1 2.69Å; E527-R578 IonicContact OE2-NH2 2.86Å; E527-R578 PolarHBondContact OE2-NH2 3.24Å
528	K	93.5	Very high	85.3	Confident	23 Å²	23	80 Å²	80	10%	0.1	40%	0.395	C	S	.	.	H	α-helix	trans	-59.4	-49.4	172.3	-71.8	-174.9	-179.6	-161	0	111.8	M523 T524 Y525 Q530 L531 S532 F569 E570 L577	M523-K528 HydrophobicContact CE-CB 4.28Å; M523-K528 HydrophobicContact CE-CG 3.84Å; T524-K528 PolarHBondContact O-N 3.4Å; Y525-K528 PolarHBondContact O-N 2.87Å; K528-Q530 PolarHBondContact O-N 3.26Å; K528-L531 PolarHBondContact O-N 3.28Å; K528-S532 PolarHBondContact O-N 2.94Å; K528-F569 HydrophobicContact CB-CB 4.49Å; K528-F569 HydrophobicContact CD-CB 4.39Å; K528-F569 WeakPolarHBondContact CD-O 3.29Å; K528-F569 WeakPolarHBondContact CE-O 3.22Å; K528-F569 PolarHBondContact NZ-O 3.2Å; K528-E570 VanDerWaalsContact CD-OE1 3.3Å; K528-E570 WeakPolarHBondContact CD-OE1 3.26Å; K528-E570 IonicContact NZ-OE1 2.64Å; K528-E570 PolarHBondContact NZ-OE1 2.69Å; K528-L577 HydrophobicContact CG-CD1 4.44Å
529	R	92.7	Very high	86.9	Confident	146 Å²	146	74.8 Å²	74.8	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-41.3	178.7	-175.4	176.9	175.7	-137.9	-1.1	111.9	Y525 L533	Y525-R529 VanDerWaalsContact O-CB 3.25Å; Y525-R529 WeakPolarHBondContact O-CB 3.32Å; Y525-R529 PolarHBondContact O-N 3Å; R529-L533 HydrophobicContact CG-CD1 4.44Å; R529-L533 VanDerWaalsContact O-CG 3.31Å; R529-L533 WeakPolarHBondContact O-CG 3.16Å; R529-L533 PolarHBondContact O-N 3.26Å
530	Q	91.7	Very high	88.4	Confident	85 Å²	85	70.3 Å²	70.3	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-66.5	-41	175.3	-175.6	58.5	40.3	0	0	111.6	D526 E527 K528 S532 L533 D534	D526-Q530 VanDerWaalsContact O-CB 3.24Å; D526-Q530 WeakPolarHBondContact O-CB 3.45Å; D526-Q530 PolarHBondContact O-N 3.07Å; E527-Q530 PolarHBondContact O-N 3.16Å; K528-Q530 PolarHBondContact O-N 3.26Å; Q530-S532 PolarHBondContact O-N 3.11Å; Q530-L533 CarbonylContact O-C 3.57Å; Q530-L533 PolarHBondContact O-N 2.94Å; Q530-D534 PolarHBondContact NE2-OD1 3.18Å; Q530-D534 PolarHBondContact NE2-OD2 2.85Å; Q530-D534 WeakPolarHBondContact O-CB 3.37Å; Q530-D534 PolarHBondContact O-N 2.81Å
531	L	94	Very high	89.3	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.037	38%	0.376	C	S	.	.	H	α-helix	trans	-59.8	-46.4	175.2	180	59.8	0	0	0	111.9	M523 E527 K528 L533 D534 I535 F569 L577 L580 E581 V584	M523-L531 HydrophobicContact CE-CB 4.06Å; M523-L531 HydrophobicContact CE-CD2 3.6Å; M523-L531 HydrophobicContact CE-CG 4.48Å; E527-L531 WeakPolarHBondContact O-CB 3.19Å; E527-L531 PolarHBondContact O-N 2.9Å; K528-L531 PolarHBondContact O-N 3.28Å; L531-L533 VanDerWaalsContact C-N 3.33Å; L531-L533 PolarHBondContact O-N 3.44Å; L531-D534 PolarHBondContact O-N 3.44Å; L531-I535 HydrophobicContact CD1-CD1 4.1Å; L531-I535 HydrophobicContact CD1-CG1 4.22Å; L531-I535 HydrophobicContact CG-CD1 3.92Å; L531-I535 HydrophobicContact CG-CG1 4.48Å; L531-I535 WeakPolarHBondContact O-CG1 3.04Å; L531-I535 PolarHBondContact O-N 3.29Å; L531-F569 HydrophobicContact CB-CE1 4.49Å; L531-F569 HydrophobicContact CD2-CE1 4.04Å; L531-F569 HydrophobicContact CG-CE1 4.09Å; L531-L577 HydrophobicContact CD2-CD2 4.19Å; L531-L577 WeakPolarHBondContact CD2-O 3.09Å; L531-L580 HydrophobicContact CD1-CB 4.45Å; L531-L580 HydrophobicContact CD2-CB 3.92Å; L531-E581 HydrophobicContact CD1-CB 4.17Å; L531-V584 HydrophobicContact CD1-CB 4.21Å; L531-V584 HydrophobicContact CD1-CG1 4.48Å; L531-V584 HydrophobicContact CD1-CG2 3.94Å
532	S	92.7	Very high	89.9	Confident	39 Å²	39	70.6 Å²	70.6	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-58.2	-44.1	174.3	179.2	0	0	0	0	111.7	K528 Q530 D534 N536	K528-S532 PolarHBondContact O-N 2.94Å; Q530-S532 PolarHBondContact O-N 3.11Å; S532-D534 VanDerWaalsContact C-N 3.32Å; S532-D534 PolarHBondContact O-N 3.04Å; S532-N536 PolarHBondContact O-N 2.66Å; S532-N536 PolarHBondContact O-ND2 3Å
533	L	92.2	Very high	90.2	Very high	78 Å²	78	70.2 Å²	70.2	41%	0.408	36%	0.355	S	S	.	.	H	α-helix	trans	-68.4	-24.1	176.7	-71.9	173.3	0	0	0	114.6	R529 Q530 L531 K537	R529-L533 HydrophobicContact CG-CD1 4.44Å; R529-L533 VanDerWaalsContact O-CG 3.31Å; R529-L533 WeakPolarHBondContact O-CG 3.16Å; R529-L533 PolarHBondContact O-N 3.26Å; Q530-L533 CarbonylContact O-C 3.57Å; Q530-L533 PolarHBondContact O-N 2.94Å; L531-L533 VanDerWaalsContact C-N 3.33Å; L531-L533 PolarHBondContact O-N 3.44Å; L533-K537 WeakPolarHBondContact O-CE 3.37Å; L533-K537 WeakPolarHBondContact O-CG 3.48Å; L533-K537 PolarHBondContact O-NZ 3.27Å
534	D	93.9	Very high	90.4	Very high	28 Å²	28	72.3 Å²	72.3	15%	0.15	38%	0.379	C	S	.	.	H	α-helix	trans	-91	-30.2	178.4	-76.1	-27	0	0	0	112.9	Q530 L531 S532 N536 K537 V584 L588	Q530-D534 PolarHBondContact NE2-OD1 3.18Å; Q530-D534 PolarHBondContact NE2-OD2 2.85Å; Q530-D534 WeakPolarHBondContact O-CB 3.37Å; Q530-D534 PolarHBondContact O-N 2.81Å; L531-D534 PolarHBondContact O-N 3.44Å; S532-D534 VanDerWaalsContact C-N 3.32Å; S532-D534 PolarHBondContact O-N 3.04Å; D534-N536 VanDerWaalsContact C-N 3.26Å; D534-N536 PolarHBondContact O-N 3.49Å; D534-K537 WeakPolarHBondContact O-CB 3.28Å; D534-K537 PolarHBondContact O-N 3.16Å; D534-K537 WeakPolarHBondContact OD1-CD 3.47Å; D534-K537 WeakPolarHBondContact OD1-CE 3.48Å; D534-V584 HydrophobicContact CB-CG1 3.62Å; D534-L588 HydrophobicContact CB-CD1 3.91Å
535	I	92.3	Very high	90.4	Very high	13 Å²	13	73.2 Å²	73.2	7%	0.067	37%	0.374	C	S	.	.	H	α-helix	trans	-58.9	-42.4	166.7	-72.4	165.3	0	0	0	109.7	L531 K537 L538 L543 V546 F569 V584	L531-I535 HydrophobicContact CD1-CD1 4.1Å; L531-I535 HydrophobicContact CD1-CG1 4.22Å; L531-I535 HydrophobicContact CG-CD1 3.92Å; L531-I535 HydrophobicContact CG-CG1 4.48Å; L531-I535 WeakPolarHBondContact O-CG1 3.04Å; L531-I535 PolarHBondContact O-N 3.29Å; I535-K537 PolarHBondContact O-N 2.94Å; I535-L538 WeakPolarHBondContact O-CB 3.37Å; I535-L538 WeakPolarHBondContact O-CG 3.31Å; I535-L538 PolarHBondContact O-N 3.25Å; I535-L543 HydrophobicContact CG2-CD2 4.06Å; I535-V546 HydrophobicContact CD1-CG1 4.33Å; I535-V546 HydrophobicContact CG2-CG1 4.36Å; I535-F569 HydrophobicContact CD1-CE1 4.18Å; I535-F569 HydrophobicContact CD1-CZ 3.92Å; I535-V584 HydrophobicContact CD1-CG2 4.41Å; I535-V584 HydrophobicContact CG1-CG2 3.51Å
536	N	89.4	Confident	90.6	Very high	132 Å²	132	65.8 Å²	65.8	71%	0.706	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	2.5	172.6	-78.7	-76.5	0	0	0	114.9	S532 D534	S532-N536 PolarHBondContact O-N 2.66Å; S532-N536 PolarHBondContact O-ND2 3Å; D534-N536 VanDerWaalsContact C-N 3.26Å; D534-N536 PolarHBondContact O-N 3.49Å
537	K	89.9	Confident	90.6	Very high	112 Å²	112	62.4 Å²	62.4	49%	0.487	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-2.7	171.4	-54.1	178.9	-156.5	-40.4	0	113	L533 D534 I535 L588	L533-K537 WeakPolarHBondContact O-CE 3.37Å; L533-K537 WeakPolarHBondContact O-CG 3.48Å; L533-K537 PolarHBondContact O-NZ 3.27Å; D534-K537 WeakPolarHBondContact O-CB 3.28Å; D534-K537 PolarHBondContact O-N 3.16Å; D534-K537 WeakPolarHBondContact OD1-CD 3.47Å; D534-K537 WeakPolarHBondContact OD1-CE 3.48Å; I535-K537 PolarHBondContact O-N 2.94Å; K537-L588 HydrophobicContact CB-CD1 4.49Å; K537-L588 HydrophobicContact CB-CD2 4Å
538	L	89.9	Confident	90.3	Very high	16 Å²	16	65 Å²	65	8%	0.084	34%	0.34	C	S	.	.	S	Bend	trans	-73.8	145.1	179	-64.7	-177.9	0	0	0	111.1	I535 K542 L543 V546 Y583 V584 V587 L588	I535-L538 WeakPolarHBondContact O-CB 3.37Å; I535-L538 WeakPolarHBondContact O-CG 3.31Å; I535-L538 PolarHBondContact O-N 3.25Å; L538-K542 HydrophobicContact CB-CB 4.33Å; L538-L543 HydrophobicContact CB-CD2 4Å; L538-L543 HydrophobicContact CD1-CD2 4.3Å; L538-V546 HydrophobicContact CD1-CG2 3.62Å; L538-Y583 HydrophobicContact CD1-CE1 4.3Å; L538-V584 HydrophobicContact CD1-CG2 4.11Å; L538-V584 HydrophobicContact CD2-CG1 4.42Å; L538-V587 HydrophobicContact CD2-CB 3.75Å; L538-V587 HydrophobicContact CD2-CG1 3.74Å; L538-V587 HydrophobicContact CD2-CG2 4.37Å; L538-L588 HydrophobicContact CD2-CD2 4.3Å; L538-L588 HydrophobicContact CD2-CG 4.25Å
539	P	86.8	Confident	90.1	Very high	51 Å²	51	64.1 Å²	64.1	33%	0.331	34%	0.336	S	S	.	.			trans	-58	147.8	164.5	-22.1	33.7	0	0	0	111.2	E541 K542 L543	P539-E541 WeakPolarHBondContact CB-OE2 3.44Å; P539-E541 PolarHBondContact O-N 2.86Å; P539-E541 VanDerWaalsContact O-N 3.16Å; P539-K542 HydrophobicContact CB-CG 4.18Å; P539-K542 HydrophobicContact CG-CG 4.29Å; P539-K542 WeakPolarHBondContact O-CB 3.4Å; P539-K542 PolarHBondContact O-N 2.94Å; P539-L543 PolarHBondContact O-N 2.81Å
540	G	84.4	Confident	90	Very high	55 Å²	55	57.5 Å²	57.5	57%	0.567	31%	0.312	S	S	*	.	H	α-helix	trans	-56.7	-35.1	-176.2	0	0	0	0	0	113.2	K542 L543	G540-K542 PolarHBondContact O-N 3.42Å; G540-L543 PolarHBondContact O-N 3.46Å
541	E	87.7	Confident	89.7	Confident	147 Å²	147	56.6 Å²	56.6	69%	0.687	31%	0.308	S	S	*	.	H	α-helix	trans	-73.9	8.3	177.7	-32.2	78.4	177.4	0	0	113.3	P539	P539-E541 WeakPolarHBondContact CB-OE2 3.44Å; P539-E541 PolarHBondContact O-N 2.86Å; P539-E541 VanDerWaalsContact O-N 3.16Å
542	K	90	Very high	89.2	Confident	81 Å²	81	61.7 Å²	61.7	35%	0.352	33%	0.331	S	S	.	.	H	α-helix	trans	-120.1	-18.7	175.2	-53	-65.8	155.5	-113.2	0	112.3	L538 P539 G540 G544 R545 V546 V587	L538-K542 HydrophobicContact CB-CB 4.33Å; P539-K542 HydrophobicContact CB-CG 4.18Å; P539-K542 HydrophobicContact CG-CG 4.29Å; P539-K542 WeakPolarHBondContact O-CB 3.4Å; P539-K542 PolarHBondContact O-N 2.94Å; G540-K542 PolarHBondContact O-N 3.42Å; K542-G544 VanDerWaalsContact C-N 3.32Å; K542-G544 PolarHBondContact O-N 3.5Å; K542-R545 PolarHBondContact O-N 3.11Å; K542-R545 VanDerWaalsContact O-N 3.14Å; K542-V546 PolarHBondContact O-N 2.86Å; K542-V587 HydrophobicContact CG-CG1 4.15Å
543	L	89.7	Confident	88.8	Confident	74 Å²	74	64 Å²	64	39%	0.387	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-37.7	174.3	-63.9	177.2	0	0	0	111.9	I535 L538 P539 G540 R545 V546 V547	I535-L543 HydrophobicContact CG2-CD2 4.06Å; L538-L543 HydrophobicContact CB-CD2 4Å; L538-L543 HydrophobicContact CD1-CD2 4.3Å; P539-L543 PolarHBondContact O-N 2.81Å; G540-L543 PolarHBondContact O-N 3.46Å; L543-R545 PolarHBondContact O-N 3.22Å; L543-R545 VanDerWaalsContact O-N 3.1Å; L543-V546 WeakPolarHBondContact O-CA 3.35Å; L543-V546 WeakPolarHBondContact O-CB 3.37Å; L543-V546 PolarHBondContact O-N 3.38Å; L543-V547 PolarHBondContact O-N 3.11Å; L543-V547 VanDerWaalsContact O-N 3.1Å
544	G	88.3	Confident	88.4	Confident	52 Å²	52	61.1 Å²	61.1	54%	0.536	32%	0.318	S	S	.	.	H	α-helix	trans	-57.3	-27.1	174.6	0	0	0	0	0	114.2	K542 Q548	K542-G544 VanDerWaalsContact C-N 3.32Å; K542-G544 PolarHBondContact O-N 3.5Å; G544-Q548 WeakPolarHBondContact O-CB 3.47Å; G544-Q548 PolarHBondContact O-N 3.31Å; G544-Q548 VanDerWaalsContact O-N 3.08Å
545	R	89.8	Confident	87.3	Confident	99 Å²	99	64.4 Å²	64.4	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-81.8	-26.3	174.5	-176.4	59.1	-173.9	176.2	9	112.9	K542 L543 Q548 I549 Y583	K542-R545 PolarHBondContact O-N 3.11Å; K542-R545 VanDerWaalsContact O-N 3.14Å; L543-R545 PolarHBondContact O-N 3.22Å; L543-R545 VanDerWaalsContact O-N 3.1Å; R545-Q548 PolarHBondContact O-N 3.42Å; R545-I549 HydrophobicContact CG-CD1 4.38Å; R545-I549 WeakPolarHBondContact O-CD1 3.47Å; R545-I549 VanDerWaalsContact O-CG1 3.27Å; R545-I549 WeakPolarHBondContact O-CG1 3.22Å; R545-I549 PolarHBondContact O-N 3.21Å; R545-Y583 HydrophobicContact CB-CE1 3.99Å; R545-Y583 HydrophobicContact CB-CE2 4.28Å; R545-Y583 WeakPolarHBondContact CB-OH 3.39Å; R545-Y583 HydrophobicContact CG-CD2 4.18Å; R545-Y583 HydrophobicContact CG-CE1 4.02Å; R545-Y583 HydrophobicContact CG-CE2 3.61Å
546	V	91.7	Very high	86.3	Confident	3 Å²	3	68 Å²	68	2%	0.018	37%	0.367	C	S	.	.	H	α-helix	trans	-63.1	-49.5	168.4	165.6	0	0	0	0	109.8	I535 L538 K542 L543 Q548 I549 I550 I567 L580 Y583	I535-V546 HydrophobicContact CD1-CG1 4.33Å; I535-V546 HydrophobicContact CG2-CG1 4.36Å; L538-V546 HydrophobicContact CD1-CG2 3.62Å; K542-V546 PolarHBondContact O-N 2.86Å; L543-V546 WeakPolarHBondContact O-CA 3.35Å; L543-V546 WeakPolarHBondContact O-CB 3.37Å; L543-V546 PolarHBondContact O-N 3.38Å; V546-Q548 VanDerWaalsContact C-N 3.31Å; V546-Q548 PolarHBondContact O-N 2.64Å; V546-I549 PolarHBondContact O-N 2.98Å; V546-I549 VanDerWaalsContact O-N 3.17Å; V546-I550 HydrophobicContact CG1-CD1 4.23Å; V546-I550 PolarHBondContact O-N 3.1Å; V546-I550 VanDerWaalsContact O-N 3.14Å; V546-I567 HydrophobicContact CG1-CD1 4.36Å; V546-L580 HydrophobicContact CB-CD2 4.31Å; V546-L580 HydrophobicContact CG1-CD2 3.85Å; V546-L580 HydrophobicContact CG2-CD2 4.4Å; V546-Y583 HydrophobicContact CG2-CD1 3.99Å; V546-Y583 HydrophobicContact CG2-CE1 4.09Å
547	V	89	Confident	85.2	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-56.4	-46.1	174.8	178.2	0	0	0	0	110.9	L543 I549 I550 Q551 I565	L543-V547 PolarHBondContact O-N 3.11Å; L543-V547 VanDerWaalsContact O-N 3.1Å; V547-I549 VanDerWaalsContact C-N 3.34Å; V547-I549 PolarHBondContact O-N 3.46Å; V547-I550 PolarHBondContact O-N 2.87Å; V547-Q551 HydrophobicContact CG1-CG 4.3Å; V547-Q551 WeakPolarHBondContact O-CG 3.5Å; V547-Q551 PolarHBondContact O-N 3.25Å; V547-I565 HydrophobicContact CB-CD1 4.32Å; V547-I565 HydrophobicContact CG1-CD1 3.73Å; V547-I565 HydrophobicContact CG2-CD1 3.56Å
548	Q	87.2	Confident	84	Confident	90 Å²	90	65.6 Å²	65.6	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-32.8	179.5	-165.3	177.9	43	0	0	113.5	G544 R545 V546 Q552	G544-Q548 WeakPolarHBondContact O-CB 3.47Å; G544-Q548 PolarHBondContact O-N 3.31Å; G544-Q548 VanDerWaalsContact O-N 3.08Å; R545-Q548 PolarHBondContact O-N 3.42Å; V546-Q548 VanDerWaalsContact C-N 3.31Å; V546-Q548 PolarHBondContact O-N 2.64Å; Q548-Q552 VanDerWaalsContact O-CB 3.25Å; Q548-Q552 WeakPolarHBondContact O-CB 3.25Å; Q548-Q552 WeakPolarHBondContact O-CG 3.46Å; Q548-Q552 PolarHBondContact O-N 3.25Å; Q548-Q552 VanDerWaalsContact O-N 3.13Å
549	I	89.7	Confident	82.8	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-67.1	-42.3	173.8	-71.2	161.8	0	0	0	110.5	R545 V546 V547 Q552 R553 E579 L580 Y583	R545-I549 HydrophobicContact CG-CD1 4.38Å; R545-I549 WeakPolarHBondContact O-CD1 3.47Å; R545-I549 VanDerWaalsContact O-CG1 3.27Å; R545-I549 WeakPolarHBondContact O-CG1 3.22Å; R545-I549 PolarHBondContact O-N 3.21Å; V546-I549 PolarHBondContact O-N 2.98Å; V546-I549 VanDerWaalsContact O-N 3.17Å; V547-I549 VanDerWaalsContact C-N 3.34Å; V547-I549 PolarHBondContact O-N 3.46Å; I549-Q552 PolarHBondContact O-N 2.79Å; I549-R553 PolarHBondContact O-N 3.42Å; I549-R553 VanDerWaalsContact O-N 3.11Å; I549-E579 HydrophobicContact CG2-CB 4.32Å; I549-E579 HydrophobicContact CG2-CG 4.18Å; I549-L580 HydrophobicContact CB-CD2 3.91Å; I549-L580 HydrophobicContact CD1-CD2 4.29Å; I549-L580 HydrophobicContact CG2-CD2 3.73Å; I549-L580 HydrophobicContact CG2-CG 4.06Å; I549-Y583 HydrophobicContact CD1-CD1 4.03Å; I549-Y583 HydrophobicContact CD1-CD2 4.24Å; I549-Y583 HydrophobicContact CD1-CG 3.67Å
550	I	89.5	Confident	81.8	Confident	7 Å²	7	72.1 Å²	72.1	4%	0.036	38%	0.382	C	S	.	.	H	α-helix	trans	-63.4	-53.1	176.9	-64.6	167	0	0	0	109.9	V546 V547 Q552 R553 E554 H557 I567 L572 T576 L580	V546-I550 HydrophobicContact CG1-CD1 4.23Å; V546-I550 PolarHBondContact O-N 3.1Å; V546-I550 VanDerWaalsContact O-N 3.14Å; V547-I550 PolarHBondContact O-N 2.87Å; I550-Q552 PolarHBondContact O-N 3.37Å; I550-R553 PolarHBondContact O-N 3.24Å; I550-R553 VanDerWaalsContact O-N 3.16Å; I550-E554 HydrophobicContact CG2-CB 4.32Å; I550-E554 HydrophobicContact CG2-CG 4.39Å; I550-E554 WeakPolarHBondContact O-CA 3.41Å; I550-E554 WeakPolarHBondContact O-CB 3.3Å; I550-E554 PolarHBondContact O-N 3.33Å; I550-H557 HydrophobicContact CG2-CB 3.76Å; I550-I567 HydrophobicContact CD1-CD1 3.7Å; I550-I567 HydrophobicContact CD1-CG1 4.04Å; I550-I567 HydrophobicContact CD1-CG2 3.98Å; I550-L572 HydrophobicContact CG2-CD2 4.04Å; I550-T576 HydrophobicContact CG1-CG2 4.39Å; I550-L580 HydrophobicContact CD1-CD1 4.14Å; I550-L580 HydrophobicContact CG1-CD1 3.94Å; I550-L580 HydrophobicContact CG1-CD2 4.34Å
551	Q	85.4	Confident	80.8	Confident	66 Å²	66	73.6 Å²	73.6	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-65.4	-12.2	179.5	-68.5	177.9	-18	0	0	115.1	V547 R558	V547-Q551 HydrophobicContact CG1-CG 4.3Å; V547-Q551 WeakPolarHBondContact O-CG 3.5Å; V547-Q551 PolarHBondContact O-N 3.25Å; Q551-R558 PolarHBondContact O-NE 3.43Å; Q551-R558 PolarHBondContact O-NH2 3.45Å
552	Q	84.5	Confident	79.7	Confident	114 Å²	114	71.6 Å²	71.6	53%	0.533	38%	0.377	S	S	.	.	H	α-helix	trans	-90.5	-36.3	173.3	-80.1	179.8	-21.3	0	0	113.2	Q548 I549 I550	Q548-Q552 VanDerWaalsContact O-CB 3.25Å; Q548-Q552 WeakPolarHBondContact O-CB 3.25Å; Q548-Q552 WeakPolarHBondContact O-CG 3.46Å; Q548-Q552 PolarHBondContact O-N 3.25Å; Q548-Q552 VanDerWaalsContact O-N 3.13Å; I549-Q552 PolarHBondContact O-N 2.79Å; I550-Q552 PolarHBondContact O-N 3.37Å
553	R	84.3	Confident	78.5	Confident	88 Å²	88	74.9 Å²	74.9	33%	0.332	40%	0.398	S	S	.	.	H	α-helix	trans	-98.9	-23.9	-179.4	-70	-175.5	172.1	-84.1	10.8	114.2	E517 I549 I550 T576 E579	E517-R553 IonicContact OE1-NH1 3.17Å; E517-R553 PolarHBondContact OE1-NH1 3.11Å; I549-R553 PolarHBondContact O-N 3.42Å; I549-R553 VanDerWaalsContact O-N 3.11Å; I550-R553 PolarHBondContact O-N 3.24Å; I550-R553 VanDerWaalsContact O-N 3.16Å; R553-T576 HydrophobicContact CB-CG2 4.21Å; R553-T576 VanDerWaalsContact CB-OG1 3.22Å; R553-T576 WeakPolarHBondContact CB-OG1 3.12Å; R553-E579 IonicContact CZ-OE2 2.69Å; R553-E579 IonicContact NH2-OE2 2.68Å; R553-E579 PolarHBondContact NH2-OE2 2.92Å
554	E	82.7	Confident	77.5	Confident	17 Å²	17	78.6 Å²	78.6	8%	0.079	41%	0.413	C	S	.	.			trans	-122.1	89.4	-178.5	-49.9	-68.6	175.1	0	0	110.1	I550 S556 H557 L572 Q573 T576	I550-E554 HydrophobicContact CG2-CB 4.32Å; I550-E554 HydrophobicContact CG2-CG 4.39Å; I550-E554 WeakPolarHBondContact O-CA 3.41Å; I550-E554 WeakPolarHBondContact O-CB 3.3Å; I550-E554 PolarHBondContact O-N 3.33Å; E554-S556 PolarHBondContact O-N 3.36Å; E554-S556 VanDerWaalsContact O-N 3.09Å; E554-H557 PolarHBondContact O-N 2.72Å; E554-L572 HydrophobicContact CG-CD2 3.78Å; E554-Q573 WeakPolarHBondContact OE1-CB 3.42Å; E554-Q573 VanDerWaalsContact OE1-CG 3.32Å; E554-Q573 WeakPolarHBondContact OE1-CG 3.42Å; E554-Q573 PolarHBondContact OE1-N 2.84Å; E554-T576 HydrophobicContact CG-CG2 3.94Å; E554-T576 WeakPolarHBondContact OE1-CB 3.46Å; E554-T576 PolarHBondContact OE1-OG1 3.42Å
555	P	71.2	Confident	76.6	Confident	96 Å²	96	78.7 Å²	78.7	62%	0.623	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-60.1	-21.7	-178.5	-25.7	35.8	0	0	0	114.5	H557 R558	P555-H557 VanDerWaalsContact C-N 3.31Å; P555-H557 PolarHBondContact O-N 2.83Å; P555-R558 WeakPolarHBondContact O-CB 3.48Å; P555-R558 WeakPolarHBondContact O-CG 3.48Å; P555-R558 PolarHBondContact O-N 3.27Å
556	S	70.7	Confident	75.9	Confident	88 Å²	88	82.3 Å²	82.3	62%	0.615	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-63.6	-27.4	176.3	45.3	0	0	0	0	114.3	E554 R558	E554-S556 PolarHBondContact O-N 3.36Å; E554-S556 VanDerWaalsContact O-N 3.09Å; S556-R558 VanDerWaalsContact C-N 3.26Å; S556-R558 PolarHBondContact O-N 3.08Å
557	H	67	Low	75.3	Confident	34 Å²	34	84.4 Å²	84.4	16%	0.157	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-88.4	19.2	-179.2	-75.7	-81.8	0	0	0	113.8	I550 E554 P555	I550-H557 HydrophobicContact CG2-CB 3.76Å; E554-H557 PolarHBondContact O-N 2.72Å; P555-H557 VanDerWaalsContact C-N 3.31Å; P555-H557 PolarHBondContact O-N 2.83Å
558	R	64.5	Low	74.9	Confident	160 Å²	160	86.5 Å²	86.5	60%	0.604	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-79.9	-25.3	179.2	-75.1	-177.1	167.5	-141.3	-4.6	114.3	Q551 P555 S556	Q551-R558 PolarHBondContact O-NE 3.43Å; Q551-R558 PolarHBondContact O-NH2 3.45Å; P555-R558 WeakPolarHBondContact O-CB 3.48Å; P555-R558 WeakPolarHBondContact O-CG 3.48Å; P555-R558 PolarHBondContact O-N 3.27Å; S556-R558 VanDerWaalsContact C-N 3.26Å; S556-R558 PolarHBondContact O-N 3.08Å
559	D	65.7	Low	74.8	Confident	161 Å²	161	83.6 Å²	83.6	86%	0.861	43%	0.429	S	S	*	.	S	Bend	trans	-94.8	5.7	-176.8	-58.6	-33.3	0	0	0	113.2
560	C	64.1	Low	74.5	Confident	44 Å²	44	88.9 Å²	88.9	30%	0.297	45%	0.453	S	S	.	.	S	Bend	trans	-66.7	141.9	173.4	-61.8	0	0	0	0	111.2
561	N	64.6	Low	74.2	Confident	85 Å²	85	92.4 Å²	92.4	46%	0.455	48%	0.475	S	S	.	.			trans	-58.6	122.1	176.1	-179.4	19.6	0	0	0	110.4	D563 E564 I565	N561-D563 PolarHBondContact O-N 3.4Å; N561-D563 VanDerWaalsContact O-N 3.15Å; N561-D563 PolarHBondContact OD1-N 2.81Å; N561-E564 CarbonylContact O-C 3.39Å; N561-E564 PolarHBondContact O-N 3.37Å; N561-E564 VanDerWaalsContact O-O 3.06Å; N561-I565 VanDerWaalsContact O-CG1 3.28Å; N561-I565 WeakPolarHBondContact O-CG1 3.28Å
562	P	63.7	Low	74.2	Confident	106 Å²	106	89.6 Å²	89.6	69%	0.688	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.4	-178.4	24.8	-35.6	0	0	0	113.9
563	D	65.9	Low	74.3	Confident	149 Å²	149	89.5 Å²	89.5	80%	0.797	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-22.7	179.6	-63.4	-26.9	0	0	0	113.3	N561	N561-D563 PolarHBondContact O-N 3.4Å; N561-D563 VanDerWaalsContact O-N 3.15Å; N561-D563 PolarHBondContact OD1-N 2.81Å
564	E	68.1	Low	74.5	Confident	152 Å²	152	88.7 Å²	88.7	71%	0.71	46%	0.462	S	S	*	.			trans	-148.1	105.7	-177.9	-171.9	164.1	-134.1	0	0	110.7	N561	N561-E564 CarbonylContact O-C 3.39Å; N561-E564 PolarHBondContact O-N 3.37Å; N561-E564 VanDerWaalsContact O-O 3.06Å
565	I	70.5	Confident	74.9	Confident	55 Å²	55	89.7 Å²	89.7	28%	0.282	47%	0.469	S	S	.	.			trans	-116.9	95.8	-170.8	-56.1	172.3	0	0	0	109.4	V547 N561 I567	V547-I565 HydrophobicContact CB-CD1 4.32Å; V547-I565 HydrophobicContact CG1-CD1 3.73Å; V547-I565 HydrophobicContact CG2-CD1 3.56Å; N561-I565 VanDerWaalsContact O-CG1 3.28Å; N561-I565 WeakPolarHBondContact O-CG1 3.28Å; I565-I567 HydrophobicContact CG2-CG1 4.06Å
566	E	74.2	Confident	75.9	Confident	175 Å²	175	85.1 Å²	85.1	82%	0.818	44%	0.439	S	S	*	.			trans	-71.3	127.1	166.3	-66	-164.9	132.5	0	0	110
567	I	78.3	Confident	77	Confident	46 Å²	46	80.9 Å²	80.9	24%	0.236	41%	0.41	C	S	.	.			trans	-112.2	104.5	179.4	-57.9	170.7	0	0	0	107.9	V546 I550 I565 F569 L572	V546-I567 HydrophobicContact CG1-CD1 4.36Å; I550-I567 HydrophobicContact CD1-CD1 3.7Å; I550-I567 HydrophobicContact CD1-CG1 4.04Å; I550-I567 HydrophobicContact CD1-CG2 3.98Å; I565-I567 HydrophobicContact CG2-CG1 4.06Å; I567-F569 HydrophobicContact CB-CE2 4.1Å; I567-F569 HydrophobicContact CG2-CD2 4.22Å; I567-F569 HydrophobicContact CG2-CE2 3.81Å; I567-F569 HydrophobicContact CG2-CZ 4.05Å; I567-F569 VanDerWaalsContact O-CD2 3.23Å; I567-F569 WeakPolarHBondContact O-CD2 3.29Å; I567-F569 WeakPolarHBondContact O-CE2 3.2Å; I567-F569 PolarHBondContact O-N 2.85Å; I567-L572 HydrophobicContact CG2-CD1 3.66Å; I567-L572 HydrophobicContact CG2-CG 4.44Å
568	D	81.5	Confident	78.3	Confident	77 Å²	77	81.1 Å²	81.1	41%	0.412	41%	0.409	S	S	.	.			trans	-82	108.4	174.7	-178.3	-0.1	0	0	0	110.6	E570 T571 L572	D568-E570 PolarHBondContact O-N 2.77Å; D568-E570 WeakPolarHBondContact OD1-CB 3.18Å; D568-E570 PolarHBondContact OD1-N 3.47Å; D568-T571 WeakPolarHBondContact CB-OG1 3.39Å; D568-T571 PolarHBondContact O-N 3.08Å; D568-T571 PolarHBondContact O-OG1 2.76Å; D568-T571 WeakPolarHBondContact OD2-CG2 3.4Å; D568-L572 PolarHBondContact O-N 3.08Å
569	F	85	Confident	79.6	Confident	29 Å²	29	75.8 Å²	75.8	13%	0.127	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.2	-179.7	-71.7	-99	0	0	0	113.2	K528 L531 I535 I567 L577	K528-F569 HydrophobicContact CB-CB 4.49Å; K528-F569 HydrophobicContact CD-CB 4.39Å; K528-F569 WeakPolarHBondContact CD-O 3.29Å; K528-F569 WeakPolarHBondContact CE-O 3.22Å; K528-F569 PolarHBondContact NZ-O 3.2Å; L531-F569 HydrophobicContact CB-CE1 4.49Å; L531-F569 HydrophobicContact CD2-CE1 4.04Å; L531-F569 HydrophobicContact CG-CE1 4.09Å; I535-F569 HydrophobicContact CD1-CE1 4.18Å; I535-F569 HydrophobicContact CD1-CZ 3.92Å; I567-F569 HydrophobicContact CB-CE2 4.1Å; I567-F569 HydrophobicContact CG2-CD2 4.22Å; I567-F569 HydrophobicContact CG2-CE2 3.81Å; I567-F569 HydrophobicContact CG2-CZ 4.05Å; I567-F569 VanDerWaalsContact O-CD2 3.23Å; I567-F569 WeakPolarHBondContact O-CD2 3.29Å; I567-F569 WeakPolarHBondContact O-CE2 3.2Å; I567-F569 PolarHBondContact O-N 2.85Å; F569-L577 HydrophobicContact CD1-CD2 3.68Å; F569-L577 HydrophobicContact CE1-CD2 4.29Å
570	E	83	Confident	81	Confident	117 Å²	117	68.1 Å²	68.1	55%	0.547	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-25.4	172.6	-99.3	50.3	-93.7	0	0	113.1	K528 D568	K528-E570 VanDerWaalsContact CD-OE1 3.3Å; K528-E570 WeakPolarHBondContact CD-OE1 3.26Å; K528-E570 IonicContact NZ-OE1 2.64Å; K528-E570 PolarHBondContact NZ-OE1 2.69Å; D568-E570 PolarHBondContact O-N 2.77Å; D568-E570 WeakPolarHBondContact OD1-CB 3.18Å; D568-E570 PolarHBondContact OD1-N 3.47Å
571	T	82.9	Confident	82.4	Confident	82 Å²	82	67.6 Å²	67.6	50%	0.503	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-26.6	-178.7	54.6	0	0	0	0	114.9	D568	D568-T571 WeakPolarHBondContact CB-OG1 3.39Å; D568-T571 PolarHBondContact O-N 3.08Å; D568-T571 PolarHBondContact O-OG1 2.76Å; D568-T571 WeakPolarHBondContact OD2-CG2 3.4Å
572	L	85.6	Confident	83.8	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.037	35%	0.349	C	S	.	.	S	Bend	trans	-61.3	139.4	176.7	-66.4	180	0	0	0	112.8	I550 E554 I567 D568 T576 L577 L580	I550-L572 HydrophobicContact CG2-CD2 4.04Å; E554-L572 HydrophobicContact CG-CD2 3.78Å; I567-L572 HydrophobicContact CG2-CD1 3.66Å; I567-L572 HydrophobicContact CG2-CG 4.44Å; D568-L572 PolarHBondContact O-N 3.08Å; L572-T576 HydrophobicContact CD2-CG2 4.35Å; L572-L577 HydrophobicContact CB-CD1 4.39Å; L572-L577 HydrophobicContact CB-CD2 3.96Å; L572-L577 HydrophobicContact CB-CG 3.91Å; L572-L577 HydrophobicContact CD1-CD2 3.82Å; L572-L580 HydrophobicContact CD1-CD1 4.11Å
573	Q	87.1	Confident	85.3	Confident	112 Å²	112	66.5 Å²	66.5	52%	0.523	32%	0.323	S	S	.	.			trans	-63	148.8	174.6	-65.8	-69.3	-25.6	0	0	112	E554 T575 T576 L577	E554-Q573 WeakPolarHBondContact OE1-CB 3.42Å; E554-Q573 VanDerWaalsContact OE1-CG 3.32Å; E554-Q573 WeakPolarHBondContact OE1-CG 3.42Å; E554-Q573 PolarHBondContact OE1-N 2.84Å; Q573-T575 WeakPolarHBondContact CB-OG1 3.36Å; Q573-T575 PolarHBondContact O-N 3.17Å; Q573-T576 WeakPolarHBondContact O-CB 3.41Å; Q573-T576 PolarHBondContact O-N 3.32Å; Q573-T576 VanDerWaalsContact O-N 3.09Å; Q573-L577 WeakPolarHBondContact O-CG 3.36Å; Q573-L577 PolarHBondContact O-N 3.32Å
574	H	89	Confident	86.7	Confident	71 Å²	71	59.5 Å²	59.5	33%	0.329	29%	0.286	S	S	.	.	H	α-helix	trans	-59.4	-30.1	175.1	-65.1	114.6	0	0	0	113.2	M523 R578	M523-H574 PolarHBondContact N-CD2 2.71Å; H574-R578 WeakPolarHBondContact O-CG 3.19Å; H574-R578 PolarHBondContact O-N 2.8Å
575	T	90.4	Very high	87.8	Confident	37 Å²	37	57 Å²	57	23%	0.227	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-49.4	172.7	52	0	0	0	0	111.4	V520 Q573 R578 E579	V520-T575 HydrophobicContact CB-CG2 4.24Å; V520-T575 HydrophobicContact CG2-CG2 4.02Å; Q573-T575 WeakPolarHBondContact CB-OG1 3.36Å; Q573-T575 PolarHBondContact O-N 3.17Å; T575-R578 PolarHBondContact O-N 2.92Å; T575-E579 PolarHBondContact O-N 3.35Å; T575-E579 VanDerWaalsContact O-N 3.07Å
576	T	92.4	Very high	88.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-47.2	175.3	-53.4	0	0	0	0	111.8	I550 R553 E554 L572 Q573 R578 E579 L580	I550-T576 HydrophobicContact CG1-CG2 4.39Å; R553-T576 HydrophobicContact CB-CG2 4.21Å; R553-T576 VanDerWaalsContact CB-OG1 3.22Å; R553-T576 WeakPolarHBondContact CB-OG1 3.12Å; E554-T576 HydrophobicContact CG-CG2 3.94Å; E554-T576 WeakPolarHBondContact OE1-CB 3.46Å; E554-T576 PolarHBondContact OE1-OG1 3.42Å; L572-T576 HydrophobicContact CD2-CG2 4.35Å; Q573-T576 WeakPolarHBondContact O-CB 3.41Å; Q573-T576 PolarHBondContact O-N 3.32Å; Q573-T576 VanDerWaalsContact O-N 3.09Å; T576-R578 PolarHBondContact O-N 2.62Å; T576-E579 PolarHBondContact O-N 3.43Å; T576-L580 HydrophobicContact CG2-CD1 4.34Å; T576-L580 WeakPolarHBondContact O-CB 3.33Å; T576-L580 WeakPolarHBondContact O-CG 3.3Å; T576-L580 PolarHBondContact O-N 3.43Å
577	L	93.8	Very high	89.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-42.1	178.6	-72.7	171.9	0	0	0	112.8	M523 K528 L531 F569 L572 Q573 E581	M523-L577 HydrophobicContact CE-CB 3.73Å; M523-L577 HydrophobicContact CE-CD1 4.31Å; M523-L577 HydrophobicContact CE-CD2 3.95Å; M523-L577 HydrophobicContact CE-CG 4.22Å; M523-L577 HydrophobicContact SD-CB 4.1Å; K528-L577 HydrophobicContact CG-CD1 4.44Å; L531-L577 HydrophobicContact CD2-CD2 4.19Å; L531-L577 WeakPolarHBondContact CD2-O 3.09Å; F569-L577 HydrophobicContact CD1-CD2 3.68Å; F569-L577 HydrophobicContact CE1-CD2 4.29Å; L572-L577 HydrophobicContact CB-CD1 4.39Å; L572-L577 HydrophobicContact CB-CD2 3.96Å; L572-L577 HydrophobicContact CB-CG 3.91Å; L572-L577 HydrophobicContact CD1-CD2 3.82Å; Q573-L577 WeakPolarHBondContact O-CG 3.36Å; Q573-L577 PolarHBondContact O-N 3.32Å; L577-E581 WeakPolarHBondContact O-CB 3.41Å; L577-E581 PolarHBondContact O-N 2.9Å
578	R	94	Very high	90.1	Very high	38 Å²	38	48.9 Å²	48.9	14%	0.143	24%	0.24	C	C	.	.	H	α-helix	trans	-74	-31.5	177	-67	-64.5	-171.4	-170.4	-5.8	113.2	V520 R521 P522 E527 H574 T575 T576 E581 K582	V520-R578 HydrophobicContact CG1-CB 3.9Å; V520-R578 HydrophobicContact CG1-CG 3.55Å; R521-R578 PolarHBondContact O-NE 3.07Å; R521-R578 PolarHBondContact O-NH2 3.31Å; P522-R578 PolarHBondContact O-NH2 2.89Å; E527-R578 VanDerWaalsContact CD-NH2 3.33Å; E527-R578 IonicContact OE1-CZ 3.41Å; E527-R578 IonicContact OE1-NH1 2.83Å; E527-R578 PolarHBondContact OE1-NH1 3.32Å; E527-R578 IonicContact OE1-NH2 2.73Å; E527-R578 PolarHBondContact OE1-NH2 2.93Å; E527-R578 VanDerWaalsContact OE1-NH2 3.16Å; E527-R578 IonicContact OE2-CZ 2.81Å; E527-R578 IonicContact OE2-NH1 2.69Å; E527-R578 IonicContact OE2-NH2 2.86Å; E527-R578 PolarHBondContact OE2-NH2 3.24Å; H574-R578 WeakPolarHBondContact O-CG 3.19Å; H574-R578 PolarHBondContact O-N 2.8Å; T575-R578 PolarHBondContact O-N 2.92Å; T576-R578 PolarHBondContact O-N 2.62Å; R578-E581 WeakPolarHBondContact CD-OE2 3.49Å; R578-E581 IonicContact CZ-OE2 3.1Å; R578-E581 IonicContact NE-OE2 2.69Å; R578-E581 IonicContact NH1-OE1 2.69Å; R578-E581 IonicContact NH1-OE2 3.81Å; R578-E581 PolarHBondContact NH1-OE2 2.81Å; R578-E581 PolarHBondContact O-N 3.04Å; R578-K582 VanDerWaalsContact O-CB 3.31Å; R578-K582 WeakPolarHBondContact O-CB 3.45Å; R578-K582 PolarHBondContact O-N 2.86Å
579	E	91.8	Very high	90.1	Very high	48 Å²	48	51.6 Å²	51.6	22%	0.224	25%	0.251	C	S	.	.	H	α-helix	trans	-69.7	-38.2	172.5	-164.7	69.7	-118.6	0	0	111.7	I549 R553 T575 T576 K582 Y583	I549-E579 HydrophobicContact CG2-CB 4.32Å; I549-E579 HydrophobicContact CG2-CG 4.18Å; R553-E579 IonicContact CZ-OE2 2.69Å; R553-E579 IonicContact NH2-OE2 2.68Å; R553-E579 PolarHBondContact NH2-OE2 2.92Å; T575-E579 PolarHBondContact O-N 3.35Å; T575-E579 VanDerWaalsContact O-N 3.07Å; T576-E579 PolarHBondContact O-N 3.43Å; E579-K582 PolarHBondContact O-N 3.37Å; E579-K582 VanDerWaalsContact OE1-CD 3.32Å; E579-K582 WeakPolarHBondContact OE1-CD 3.32Å; E579-K582 VanDerWaalsContact OE1-CE 3.27Å; E579-K582 WeakPolarHBondContact OE1-CE 3.4Å; E579-K582 IonicContact OE1-NZ 3.8Å; E579-K582 PolarHBondContact OE1-NZ 3.5Å; E579-K582 IonicContact OE2-NZ 2.81Å; E579-K582 PolarHBondContact OE2-NZ 3.07Å; E579-Y583 PolarHBondContact O-N 3.47Å
580	L	94.5	Very high	89.4	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-47.1	169.7	-73.6	177.4	0	0	0	111.3	L531 V546 I549 I550 L572 T576 K582 Y583 V584	L531-L580 HydrophobicContact CD1-CB 4.45Å; L531-L580 HydrophobicContact CD2-CB 3.92Å; V546-L580 HydrophobicContact CB-CD2 4.31Å; V546-L580 HydrophobicContact CG1-CD2 3.85Å; V546-L580 HydrophobicContact CG2-CD2 4.4Å; I549-L580 HydrophobicContact CB-CD2 3.91Å; I549-L580 HydrophobicContact CD1-CD2 4.29Å; I549-L580 HydrophobicContact CG2-CD2 3.73Å; I549-L580 HydrophobicContact CG2-CG 4.06Å; I550-L580 HydrophobicContact CD1-CD1 4.14Å; I550-L580 HydrophobicContact CG1-CD1 3.94Å; I550-L580 HydrophobicContact CG1-CD2 4.34Å; L572-L580 HydrophobicContact CD1-CD1 4.11Å; T576-L580 HydrophobicContact CG2-CD1 4.34Å; T576-L580 WeakPolarHBondContact O-CB 3.33Å; T576-L580 WeakPolarHBondContact O-CG 3.3Å; T576-L580 PolarHBondContact O-N 3.43Å; L580-K582 VanDerWaalsContact C-N 3.31Å; L580-K582 PolarHBondContact O-N 2.8Å; L580-Y583 PolarHBondContact O-N 2.96Å; L580-V584 WeakPolarHBondContact O-CB 3.41Å; L580-V584 WeakPolarHBondContact O-CG2 3.44Å; L580-V584 PolarHBondContact O-N 3.48Å
581	E	94	Very high	88.5	Confident	33 Å²	33	56.8 Å²	56.8	15%	0.154	28%	0.279	C	S	.	.	H	α-helix	trans	-56.6	-43.9	175.5	-173.3	-175.7	-162.2	0	0	112.1	L531 L577 R578 K585	L531-E581 HydrophobicContact CD1-CB 4.17Å; L577-E581 WeakPolarHBondContact O-CB 3.41Å; L577-E581 PolarHBondContact O-N 2.9Å; R578-E581 WeakPolarHBondContact CD-OE2 3.49Å; R578-E581 IonicContact CZ-OE2 3.1Å; R578-E581 IonicContact NE-OE2 2.69Å; R578-E581 IonicContact NH1-OE1 2.69Å; R578-E581 IonicContact NH1-OE2 3.81Å; R578-E581 PolarHBondContact NH1-OE2 2.81Å; R578-E581 PolarHBondContact O-N 3.04Å; E581-K585 HydrophobicContact CG-CD 4.06Å; E581-K585 VanDerWaalsContact CG-CE 3.49Å; E581-K585 VanDerWaalsContact O-CB 3.29Å; E581-K585 WeakPolarHBondContact O-CB 3.14Å; E581-K585 VanDerWaalsContact O-CG 3.23Å; E581-K585 WeakPolarHBondContact O-CG 3.4Å; E581-K585 PolarHBondContact O-N 2.68Å; E581-K585 VanDerWaalsContact OE1-CE 3.32Å; E581-K585 WeakPolarHBondContact OE1-CE 3.43Å; E581-K585 IonicContact OE1-NZ 3.33Å; E581-K585 PolarHBondContact OE1-NZ 2.99Å; E581-K585 IonicContact OE2-NZ 2.77Å
582	K	94.1	Very high	87.1	Confident	130 Å²	130	57.3 Å²	57.3	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-63.9	-45.2	176	176.4	176.5	156.9	-144.3	0	112.2	R578 E579 L580 S586	R578-K582 VanDerWaalsContact O-CB 3.31Å; R578-K582 WeakPolarHBondContact O-CB 3.45Å; R578-K582 PolarHBondContact O-N 2.86Å; E579-K582 PolarHBondContact O-N 3.37Å; E579-K582 VanDerWaalsContact OE1-CD 3.32Å; E579-K582 WeakPolarHBondContact OE1-CD 3.32Å; E579-K582 VanDerWaalsContact OE1-CE 3.27Å; E579-K582 WeakPolarHBondContact OE1-CE 3.4Å; E579-K582 IonicContact OE1-NZ 3.8Å; E579-K582 PolarHBondContact OE1-NZ 3.5Å; E579-K582 IonicContact OE2-NZ 2.81Å; E579-K582 PolarHBondContact OE2-NZ 3.07Å; L580-K582 VanDerWaalsContact C-N 3.31Å; L580-K582 PolarHBondContact O-N 2.8Å; K582-S586 WeakPolarHBondContact O-CB 3.42Å; K582-S586 PolarHBondContact O-N 2.99Å
583	Y	95.1	Very high	85.4	Confident	39 Å²	39	60 Å²	60	15%	0.153	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-51.7	175.9	178.7	-108.3	0	0	0	112	L538 R545 V546 I549 E579 L580 K585 S586 V587	L538-Y583 HydrophobicContact CD1-CE1 4.3Å; R545-Y583 HydrophobicContact CB-CE1 3.99Å; R545-Y583 HydrophobicContact CB-CE2 4.28Å; R545-Y583 WeakPolarHBondContact CB-OH 3.39Å; R545-Y583 HydrophobicContact CG-CD2 4.18Å; R545-Y583 HydrophobicContact CG-CE1 4.02Å; R545-Y583 HydrophobicContact CG-CE2 3.61Å; V546-Y583 HydrophobicContact CG2-CD1 3.99Å; V546-Y583 HydrophobicContact CG2-CE1 4.09Å; I549-Y583 HydrophobicContact CD1-CD1 4.03Å; I549-Y583 HydrophobicContact CD1-CD2 4.24Å; I549-Y583 HydrophobicContact CD1-CG 3.67Å; E579-Y583 PolarHBondContact O-N 3.47Å; L580-Y583 PolarHBondContact O-N 2.96Å; Y583-K585 PolarHBondContact O-N 3.21Å; Y583-S586 WeakPolarHBondContact O-CB 3.47Å; Y583-S586 PolarHBondContact O-N 3.34Å; Y583-S586 PolarHBondContact O-OG 2.97Å; Y583-V587 HydrophobicContact CE1-CG2 4.02Å; Y583-V587 HydrophobicContact CE2-CG2 3.91Å; Y583-V587 PolarHBondContact O-N 2.67Å; Y583-V587 VanDerWaalsContact O-N 3.12Å
584	V	94.9	Very high	83.6	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.012	31%	0.305	C	S	.	.	H	α-helix	trans	-58.4	-47.3	-178.7	171.9	0	0	0	0	110.6	L531 D534 I535 L538 L580 S586 V587 L588	L531-V584 HydrophobicContact CD1-CB 4.21Å; L531-V584 HydrophobicContact CD1-CG1 4.48Å; L531-V584 HydrophobicContact CD1-CG2 3.94Å; D534-V584 HydrophobicContact CB-CG1 3.62Å; I535-V584 HydrophobicContact CD1-CG2 4.41Å; I535-V584 HydrophobicContact CG1-CG2 3.51Å; L538-V584 HydrophobicContact CD1-CG2 4.11Å; L538-V584 HydrophobicContact CD2-CG1 4.42Å; L580-V584 WeakPolarHBondContact O-CB 3.41Å; L580-V584 WeakPolarHBondContact O-CG2 3.44Å; L580-V584 PolarHBondContact O-N 3.48Å; V584-S586 VanDerWaalsContact C-N 3.33Å; V584-S586 PolarHBondContact O-N 2.77Å; V584-V587 PolarHBondContact O-N 2.98Å; V584-L588 HydrophobicContact CG1-CD1 3.77Å; V584-L588 HydrophobicContact CG1-CG 4.41Å; V584-L588 WeakPolarHBondContact O-CB 3.35Å; V584-L588 WeakPolarHBondContact O-CG 3.45Å; V584-L588 PolarHBondContact O-N 3.03Å
585	K	92.5	Very high	81.4	Confident	98 Å²	98	60.3 Å²	60.3	43%	0.426	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-41.1	174.1	-74.9	173.9	-175.5	173.7	0	112.3	E581 Y583 V587 L588 Q589	E581-K585 HydrophobicContact CG-CD 4.06Å; E581-K585 VanDerWaalsContact CG-CE 3.49Å; E581-K585 VanDerWaalsContact O-CB 3.29Å; E581-K585 WeakPolarHBondContact O-CB 3.14Å; E581-K585 VanDerWaalsContact O-CG 3.23Å; E581-K585 WeakPolarHBondContact O-CG 3.4Å; E581-K585 PolarHBondContact O-N 2.68Å; E581-K585 VanDerWaalsContact OE1-CE 3.32Å; E581-K585 WeakPolarHBondContact OE1-CE 3.43Å; E581-K585 IonicContact OE1-NZ 3.33Å; E581-K585 PolarHBondContact OE1-NZ 2.99Å; E581-K585 IonicContact OE2-NZ 2.77Å; Y583-K585 PolarHBondContact O-N 3.21Å; K585-V587 VanDerWaalsContact C-N 3.34Å; K585-V587 PolarHBondContact O-N 3Å; K585-L588 PolarHBondContact O-N 3.2Å; K585-Q589 WeakPolarHBondContact O-CB 3.31Å; K585-Q589 VanDerWaalsContact O-CG 3.25Å; K585-Q589 WeakPolarHBondContact O-CG 3.28Å; K585-Q589 PolarHBondContact O-N 3.42Å
586	S	91.5	Very high	78.8	Confident	54 Å²	54	69 Å²	69	38%	0.378	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-37.8	179.4	81.2	0	0	0	0	113	K582 Y583 V584 K590	K582-S586 WeakPolarHBondContact O-CB 3.42Å; K582-S586 PolarHBondContact O-N 2.99Å; Y583-S586 WeakPolarHBondContact O-CB 3.47Å; Y583-S586 PolarHBondContact O-N 3.34Å; Y583-S586 PolarHBondContact O-OG 2.97Å; V584-S586 VanDerWaalsContact C-N 3.33Å; V584-S586 PolarHBondContact O-N 2.77Å; S586-K590 PolarHBondContact O-N 3.01Å; S586-K590 VanDerWaalsContact O-N 3.14Å
587	V	90.3	Very high	76	Confident	17 Å²	17	78.2 Å²	78.2	10%	0.103	40%	0.396	C	S	.	.	H	α-helix	trans	-72.4	-47.5	176.7	-179.7	0	0	0	0	110.8	L538 K542 Y583 V584 K585 Q589 K590 T591	L538-V587 HydrophobicContact CD2-CB 3.75Å; L538-V587 HydrophobicContact CD2-CG1 3.74Å; L538-V587 HydrophobicContact CD2-CG2 4.37Å; K542-V587 HydrophobicContact CG-CG1 4.15Å; Y583-V587 HydrophobicContact CE1-CG2 4.02Å; Y583-V587 HydrophobicContact CE2-CG2 3.91Å; Y583-V587 PolarHBondContact O-N 2.67Å; Y583-V587 VanDerWaalsContact O-N 3.12Å; V584-V587 PolarHBondContact O-N 2.98Å; K585-V587 VanDerWaalsContact C-N 3.34Å; K585-V587 PolarHBondContact O-N 3Å; V587-Q589 PolarHBondContact O-N 3.27Å; V587-K590 PolarHBondContact O-N 2.87Å; V587-K590 VanDerWaalsContact O-N 3.13Å; V587-T591 PolarHBondContact O-N 3.28Å; V587-T591 VanDerWaalsContact O-N 3.09Å
588	L	88.6	Confident	73.3	Confident	35 Å²	35	89 Å²	89	18%	0.183	44%	0.439	C	S	.	.	H	α-helix	trans	-70.2	-15.1	-179.4	-64	178.8	0	0	0	114	D534 K537 L538 V584 K585 T591	D534-L588 HydrophobicContact CB-CD1 3.91Å; K537-L588 HydrophobicContact CB-CD1 4.49Å; K537-L588 HydrophobicContact CB-CD2 4Å; L538-L588 HydrophobicContact CD2-CD2 4.3Å; L538-L588 HydrophobicContact CD2-CG 4.25Å; V584-L588 HydrophobicContact CG1-CD1 3.77Å; V584-L588 HydrophobicContact CG1-CG 4.41Å; V584-L588 WeakPolarHBondContact O-CB 3.35Å; V584-L588 WeakPolarHBondContact O-CG 3.45Å; V584-L588 PolarHBondContact O-N 3.03Å; K585-L588 PolarHBondContact O-N 3.2Å; L588-T591 PolarHBondContact O-OG1 3.03Å
589	Q	80.8	Confident	70.6	Confident	135 Å²	135	93.7 Å²	93.7	63%	0.631	47%	0.471	S	S	*	.	H	α-helix	trans	-84.2	-42	166.4	-73.8	177.4	8	0	0	111.9	K585 V587 T591 K592 S593	K585-Q589 WeakPolarHBondContact O-CB 3.31Å; K585-Q589 VanDerWaalsContact O-CG 3.25Å; K585-Q589 WeakPolarHBondContact O-CG 3.28Å; K585-Q589 PolarHBondContact O-N 3.42Å; V587-Q589 PolarHBondContact O-N 3.27Å; Q589-T591 VanDerWaalsContact C-N 3.29Å; Q589-T591 PolarHBondContact O-N 3.31Å; Q589-K592 PolarHBondContact O-N 2.76Å; Q589-S593 PolarHBondContact O-N 3.47Å
590	K	71.7	Confident	67.9	Low	163 Å²	163	101.3 Å²	101.3	71%	0.709	50%	0.504	S	S	*	.	H	α-helix	trans	-62.3	-32.4	177.6	-84.9	-173.5	172.2	-177.3	0	113.4	S586 V587 K592 S593	S586-K590 PolarHBondContact O-N 3.01Å; S586-K590 VanDerWaalsContact O-N 3.14Å; V587-K590 PolarHBondContact O-N 2.87Å; V587-K590 VanDerWaalsContact O-N 3.13Å; K590-K592 PolarHBondContact O-N 3.29Å; K590-S593 PolarHBondContact O-OG 3Å
591	T	62.9	Low	65.2	Low	91 Å²	91	110.9 Å²	110.9	56%	0.558	55%	0.545	S	S	*	.	H	α-helix	trans	-67.6	-19.7	173.8	52.9	0	0	0	0	113.7	V587 L588 Q589	V587-T591 PolarHBondContact O-N 3.28Å; V587-T591 VanDerWaalsContact O-N 3.09Å; L588-T591 PolarHBondContact O-OG1 3.03Å; Q589-T591 VanDerWaalsContact C-N 3.29Å; Q589-T591 PolarHBondContact O-N 3.31Å
592	K	53.6	Low	62.3	Low	94 Å²	94	112.6 Å²	112.6	41%	0.409	57%	0.572	S	S	.	*	H	α-helix	trans	-94.6	-21.7	179.1	-62.2	-175.9	-171.4	-174.7	0	114	Q59 Q589 K590	Q59-K592 WeakPolarHBondContact O-CE 3.31Å; Q59-K592 PolarHBondContact O-NZ 3.48Å; Q589-K592 PolarHBondContact O-N 2.76Å; K590-K592 PolarHBondContact O-N 3.29Å
593	S	50.8	Low	59.7	Low	64 Å²	64	114.7 Å²	114.7	45%	0.448	59%	0.588	S	S	.	*	H	α-helix	trans	-80.1	-16.3	-179.2	48.4	0	0	0	0	114.4	Q589 K590 S595	Q589-S593 PolarHBondContact O-N 3.47Å; K590-S593 PolarHBondContact O-OG 3Å; S593-S595 VanDerWaalsContact C-N 3.31Å; S593-S595 PolarHBondContact O-N 3.37Å
594	G	48.2	Very low	56.7	Low	73 Å²	73	118.6 Å²	118.6	75%	0.753	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-14.3	-174.2	0	0	0	0	0	117.3
595	S	43.3	Very low	53.9	Low	115 Å²	115	122.2 Å²	122.2	80%	0.804	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	2.5	-171.6	-150.3	0	0	0	0	115.4	S593 K597	S593-S595 VanDerWaalsContact C-N 3.31Å; S593-S595 PolarHBondContact O-N 3.37Å; S595-K597 PolarHBondContact O-N 3.42Å
596	R	35.6	Very low	51.4	Low	219 Å²	219	123.8 Å²	123.8	83%	0.826	68%	0.677	S	S	*	*			trans	-90.9	71.5	-175.8	-83.9	-170.7	-73.4	173.4	-4.4	114
597	K	35.2	Very low	49.1	Very low	194 Å²	194	126.5 Å²	126.5	84%	0.843	69%	0.693	S	S	*	*			trans	-144.1	93.7	159	-75.7	-169.3	177.9	-176.5	0	110.8	S595	S595-K597 PolarHBondContact O-N 3.42Å
598	Y	35.1	Very low	46.5	Very low	228 Å²	228	132.1 Å²	132.1	89%	0.894	73%	0.73	S	S	*	*	S	Bend	trans	-170.2	120.6	145.8	-107.3	-72.5	0	0	0	111
599	V	37.3	Very low	44.3	Very low	135 Å²	135	133.9 Å²	133.9	82%	0.818	76%	0.756	S	S	*	*			trans	51.5	125.1	162	177.6	0	0	0	0	120.5
600	K	36.9	Very low	42.5	Very low	209 Å²	209	133.2 Å²	133.2	91%	0.909	75%	0.751	S	S	*	*			trans	-125	123.7	167.2	164.1	-169.4	173	-174.8	0	108.3
601	K	36.1	Very low	41.4	Very low	201 Å²	201	129 Å²	129	87%	0.874	74%	0.739	S	S	*	*			trans	-160	116.7	167.4	-163	170.6	-175.1	176.6	0	113.1
602	G	34.9	Very low	40.6	Very low	69 Å²	69	133 Å²	133	71%	0.711	74%	0.744	S	S	*	*			trans	73.6	152.9	175.4	0	0	0	0	0	115.2
603	L	38.6	Very low	40.5	Very low	173 Å²	173	136.2 Å²	136.2	91%	0.906	76%	0.76	S	S	*	*			cis	-134.3	149.8	-9.2	-132.1	70.3	0	0	0	109.5
604	S	33.1	Very low	40.8	Very low	121 Å²	121	137.5 Å²	137.5	85%	0.846	76%	0.759	S	S	*	*			trans	-76.6	147.4	179.8	45.6	0	0	0	0	113.4
605	G	36	Very low	40.9	Very low	78 Å²	78	137 Å²	137	80%	0.804	74%	0.743	S	S	*	*			trans	150.1	50.5	161.1	0	0	0	0	0	119.4
606	V	39.8	Very low	41.2	Very low	132 Å²	132	134.8 Å²	134.8	80%	0.8	72%	0.721	S	S	*	*			trans	-141.6	131.3	166.2	-172.9	0	0	0	0	109.9
607	P	43.3	Very low	42.8	Very low	110 Å²	110	130.3 Å²	130.3	71%	0.714	71%	0.707	S	S	*	*			trans	-76.2	157.5	177.3	31.5	-35.7	0	0	0	113
608	P	34.9	Very low	44.4	Very low	136 Å²	136	125.5 Å²	125.5	88%	0.883	69%	0.688	S	S	*	*	S	Bend	trans	-74.1	127.5	175.8	31.1	-33.4	0	0	0	110.9
609	G	41.5	Very low	45.5	Very low	71 Å²	71	118.7 Å²	118.7	73%	0.732	66%	0.663	S	S	*	*			trans	174.5	-42.1	174.9	0	0	0	0	0	115.8	T611	G609-T611 PolarHBondContact O-N 2.93Å
610	K	42.9	Very low	46.6	Very low	122 Å²	122	116.1 Å²	116.1	53%	0.53	65%	0.648	S	S	.	*			trans	-61.1	125.6	-176.2	-76.1	-177.1	171.6	179.4	0	112.3	E618	K610-E618 IonicContact NZ-OE1 2.65Å; K610-E618 PolarHBondContact NZ-OE1 3.29Å; K610-E618 IonicContact NZ-OE2 2.96Å; K610-E618 PolarHBondContact NZ-OE2 3.46Å
611	T	50.1	Low	48.1	Very low	73 Å²	73	110.4 Å²	110.4	45%	0.448	62%	0.624	S	S	.	*			trans	-67.6	162.6	171.6	65.2	0	0	0	0	111.6	G609 E613 E614 C615	G609-T611 PolarHBondContact O-N 2.93Å; T611-E613 PolarHBondContact O-N 2.81Å; T611-E614 VanDerWaalsContact CB-OE2 3.27Å; T611-E614 WeakPolarHBondContact CB-OE2 3.35Å; T611-E614 WeakPolarHBondContact CG2-OE2 3.41Å; T611-E614 PolarHBondContact N-OE2 3.48Å; T611-E614 PolarHBondContact O-N 3.33Å; T611-E614 WeakPolarHBondContact OG1-CG 3.49Å; T611-E614 PolarHBondContact OG1-N 3.31Å; T611-E614 PolarHBondContact OG1-OE2 3.26Å; T611-C615 PolarHBondContact O-N 3.35Å
612	R	45.2	Very low	49.4	Very low	177 Å²	177	103.9 Å²	103.9	67%	0.668	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-22	173.9	175.8	173.6	143	-148.8	-17.7	112.8	M616	R612-M616 WeakPolarHBondContact O-CG 3.27Å; R612-M616 PolarHBondContact O-N 3.31Å
613	E	51.7	Low	50.1	Low	161 Å²	161	101.7 Å²	101.7	75%	0.752	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-41.7	-179.5	-168.6	145.9	-149.1	0	0	111.7	T611 C615 M616 K617	T611-E613 PolarHBondContact O-N 2.81Å; E613-C615 VanDerWaalsContact C-N 3.31Å; E613-C615 PolarHBondContact O-N 2.82Å; E613-M616 WeakPolarHBondContact O-CA 3.29Å; E613-M616 WeakPolarHBondContact O-CB 3.44Å; E613-M616 PolarHBondContact O-N 2.81Å; E613-K617 PolarHBondContact O-N 3.34Å
614	E	57.6	Low	51.1	Low	91 Å²	91	98.3 Å²	98.3	43%	0.425	55%	0.548	S	S	.	.	H	α-helix	trans	-59.7	-41.1	170.2	-70.1	160.6	102.1	0	0	111.9	T611 M616 K617 E618	T611-E614 VanDerWaalsContact CB-OE2 3.27Å; T611-E614 WeakPolarHBondContact CB-OE2 3.35Å; T611-E614 WeakPolarHBondContact CG2-OE2 3.41Å; T611-E614 PolarHBondContact N-OE2 3.48Å; T611-E614 PolarHBondContact O-N 3.33Å; T611-E614 WeakPolarHBondContact OG1-CG 3.49Å; T611-E614 PolarHBondContact OG1-N 3.31Å; T611-E614 PolarHBondContact OG1-OE2 3.26Å; E614-M616 PolarHBondContact O-N 3.21Å; E614-K617 PolarHBondContact O-N 3.03Å; E614-K617 VanDerWaalsContact O-N 3.12Å; E614-E618 VanDerWaalsContact O-CB 3.29Å; E614-E618 WeakPolarHBondContact O-CB 3.19Å; E614-E618 PolarHBondContact O-N 3.43Å
615	C	50.5	Low	52.7	Low	62 Å²	62	97.1 Å²	97.1	42%	0.419	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-22.4	175.1	-171.8	0	0	0	0	113.4	T611 E613 K619	T611-C615 PolarHBondContact O-N 3.35Å; E613-C615 VanDerWaalsContact C-N 3.31Å; E613-C615 PolarHBondContact O-N 2.82Å; C615-K619 WeakPolarHBondContact O-CG 3.5Å
616	M	49.6	Very low	53.7	Low	69 Å²	69	97 Å²	97	34%	0.34	51%	0.508	S	S	.	.	H	α-helix	trans	-79.1	-43.8	169.8	-64.6	-97.6	-62.9	0	0	110.9	I69 R612 E613 E614 K619 T620	I69-M616 HydrophobicContact CG1-CE 4.48Å; I69-M616 HydrophobicContact CG1-SD 3.72Å; R612-M616 WeakPolarHBondContact O-CG 3.27Å; R612-M616 PolarHBondContact O-N 3.31Å; E613-M616 WeakPolarHBondContact O-CA 3.29Å; E613-M616 WeakPolarHBondContact O-CB 3.44Å; E613-M616 PolarHBondContact O-N 2.81Å; E614-M616 PolarHBondContact O-N 3.21Å; M616-K619 PolarHBondContact O-N 3.41Å; M616-T620 PolarHBondContact O-N 3.01Å; M616-T620 PolarHBondContact O-OG1 2.81Å
617	K	68.4	Low	54.3	Low	124 Å²	124	95.4 Å²	95.4	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-46.1	-178.7	-169.4	171.8	-175	-72.7	0	112.4	E613 E614 K619 T620 E621	E613-K617 PolarHBondContact O-N 3.34Å; E614-K617 PolarHBondContact O-N 3.03Å; E614-K617 VanDerWaalsContact O-N 3.12Å; K617-K619 VanDerWaalsContact C-N 3.28Å; K617-K619 PolarHBondContact O-N 3.15Å; K617-T620 WeakPolarHBondContact CA-OG1 3.2Å; K617-T620 PolarHBondContact O-N 3.28Å; K617-T620 VanDerWaalsContact O-N 3.08Å; K617-T620 PolarHBondContact O-OG1 2.97Å; K617-E621 IonicContact NZ-OE1 4Å; K617-E621 PolarHBondContact NZ-OE1 3.22Å; K617-E621 PolarHBondContact O-N 3.34Å
618	E	68.7	Low	55.2	Low	93 Å²	93	98.2 Å²	98.2	44%	0.435	49%	0.491	S	S	.	.	H	α-helix	trans	-57.8	-39.4	175	-179.3	169.8	-147.2	0	0	111.7	K610 E614 E622	K610-E618 IonicContact NZ-OE1 2.65Å; K610-E618 PolarHBondContact NZ-OE1 3.29Å; K610-E618 IonicContact NZ-OE2 2.96Å; K610-E618 PolarHBondContact NZ-OE2 3.46Å; E614-E618 VanDerWaalsContact O-CB 3.29Å; E614-E618 WeakPolarHBondContact O-CB 3.19Å; E614-E618 PolarHBondContact O-N 3.43Å; E618-E622 WeakPolarHBondContact O-CB 3.42Å; E618-E622 PolarHBondContact O-N 3.28Å
619	K	59.5	Low	56.2	Low	85 Å²	85	98.9 Å²	98.9	37%	0.37	48%	0.482	S	S	.	.	H	α-helix	trans	-66.8	-43.4	172.6	-78.3	-178.2	177.8	-174	0	112.7	C615 M616 K617 E621 E622 L623	C615-K619 WeakPolarHBondContact O-CG 3.5Å; M616-K619 PolarHBondContact O-N 3.41Å; K617-K619 VanDerWaalsContact C-N 3.28Å; K617-K619 PolarHBondContact O-N 3.15Å; K619-E621 VanDerWaalsContact C-N 3.27Å; K619-E621 PolarHBondContact O-N 3.04Å; K619-E622 PolarHBondContact O-N 2.69Å; K619-L623 WeakPolarHBondContact O-CB 3.48Å; K619-L623 WeakPolarHBondContact O-CD1 3.27Å; K619-L623 WeakPolarHBondContact O-CG 3.35Å; K619-L623 PolarHBondContact O-N 3.5Å
620	T	58.6	Low	56.8	Low	81 Å²	81	101.3 Å²	101.3	50%	0.497	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-32.6	178.2	42.9	0	0	0	0	112.6	M616 K617 L623 E624	M616-T620 PolarHBondContact O-N 3.01Å; M616-T620 PolarHBondContact O-OG1 2.81Å; K617-T620 WeakPolarHBondContact CA-OG1 3.2Å; K617-T620 PolarHBondContact O-N 3.28Å; K617-T620 VanDerWaalsContact O-N 3.08Å; K617-T620 PolarHBondContact O-OG1 2.97Å; T620-L623 WeakPolarHBondContact O-CB 3.4Å; T620-L623 PolarHBondContact O-N 2.87Å; T620-E624 PolarHBondContact O-N 3.28Å
621	E	68.9	Low	56.5	Low	90 Å²	90	98 Å²	98	42%	0.421	48%	0.478	S	S	.	.	H	α-helix	trans	-75.3	-41.1	174.3	-70.6	167.3	-174	0	0	112	K617 K619 L623 E624 N625	K617-E621 IonicContact NZ-OE1 4Å; K617-E621 PolarHBondContact NZ-OE1 3.22Å; K617-E621 PolarHBondContact O-N 3.34Å; K619-E621 VanDerWaalsContact C-N 3.27Å; K619-E621 PolarHBondContact O-N 3.04Å; E621-L623 PolarHBondContact O-N 2.57Å; E621-E624 PolarHBondContact O-N 3.08Å; E621-N625 WeakPolarHBondContact O-CB 3.48Å; E621-N625 PolarHBondContact O-N 2.57Å; E621-N625 PolarHBondContact O-ND2 2.78Å
622	E	64.6	Low	55.6	Low	64 Å²	64	97.6 Å²	97.6	30%	0.299	49%	0.487	S	S	.	.	H	α-helix	trans	-55.8	-33.9	169.2	-170.4	-172	-178	0	0	111.3	E618 K619 R626	E618-E622 WeakPolarHBondContact O-CB 3.42Å; E618-E622 PolarHBondContact O-N 3.28Å; K619-E622 PolarHBondContact O-N 2.69Å; E622-R626 WeakPolarHBondContact O-CB 3.39Å; E622-R626 WeakPolarHBondContact O-CG 3.37Å; E622-R626 PolarHBondContact O-N 2.86Å; E622-R626 IonicContact OE1-CZ 2.74Å; E622-R626 IonicContact OE1-NH1 3.59Å; E622-R626 PolarHBondContact OE1-NH1 3.13Å; E622-R626 IonicContact OE1-NH2 2.91Å; E622-R626 PolarHBondContact OE1-NH2 3.29Å
623	L	49.4	Very low	54.9	Low	23 Å²	23	96.5 Å²	96.5	12%	0.12	49%	0.494	C	S	.	.	H	α-helix	trans	-76.9	-45.1	177.3	-88	155.1	0	0	0	114.2	Y106 I107 K619 T620 E621 N625 R626 L627	Y106-L623 WeakPolarHBondContact O-CD2 3.38Å; I107-L623 HydrophobicContact CB-CD1 4.03Å; I107-L623 HydrophobicContact CB-CD2 4.45Å; I107-L623 HydrophobicContact CG1-CD1 4.05Å; I107-L623 HydrophobicContact CG1-CD2 4.09Å; I107-L623 HydrophobicContact CG2-CD1 3.97Å; K619-L623 WeakPolarHBondContact O-CB 3.48Å; K619-L623 WeakPolarHBondContact O-CD1 3.27Å; K619-L623 WeakPolarHBondContact O-CG 3.35Å; K619-L623 PolarHBondContact O-N 3.5Å; T620-L623 WeakPolarHBondContact O-CB 3.4Å; T620-L623 PolarHBondContact O-N 2.87Å; E621-L623 PolarHBondContact O-N 2.57Å; L623-N625 VanDerWaalsContact C-N 3.32Å; L623-N625 PolarHBondContact O-N 2.89Å; L623-R626 PolarHBondContact O-N 3.02Å; L623-L627 WeakPolarHBondContact O-CB 3.33Å; L623-L627 WeakPolarHBondContact O-CG 3.29Å; L623-L627 PolarHBondContact O-N 3.35Å
624	E	59	Low	53.9	Low	101 Å²	101	94.3 Å²	94.3	47%	0.472	49%	0.494	S	S	.	.	H	α-helix	trans	-64.5	-41	179.9	-163	-178.3	142.6	0	0	110.8	T620 E621 R626 L627 R628	T620-E624 PolarHBondContact O-N 3.28Å; E621-E624 PolarHBondContact O-N 3.08Å; E624-R626 PolarHBondContact O-N 3.34Å; E624-L627 PolarHBondContact O-N 2.79Å; E624-R628 WeakPolarHBondContact O-CG 3.46Å; E624-R628 PolarHBondContact O-N 2.77Å; E624-R628 IonicContact OE1-CZ 3.55Å; E624-R628 IonicContact OE1-NE 2.71Å; E624-R628 PolarHBondContact OE1-NE 2.68Å; E624-R628 IonicContact OE1-NH2 3.27Å; E624-R628 PolarHBondContact OE1-NH2 3.02Å
625	N	67.5	Low	52.5	Low	96 Å²	96	99.9 Å²	99.9	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-42.8	174	-70.7	-20	0	0	0	111.9	E621 L623 L627 R628 E629	E621-N625 WeakPolarHBondContact O-CB 3.48Å; E621-N625 PolarHBondContact O-N 2.57Å; E621-N625 PolarHBondContact O-ND2 2.78Å; L623-N625 VanDerWaalsContact C-N 3.32Å; L623-N625 PolarHBondContact O-N 2.89Å; N625-L627 PolarHBondContact O-N 2.69Å; N625-R628 WeakPolarHBondContact O-CB 3.33Å; N625-R628 PolarHBondContact O-N 3.29Å; N625-R628 VanDerWaalsContact O-N 3.16Å; N625-E629 WeakPolarHBondContact O-CG 3.31Å; N625-E629 PolarHBondContact O-N 3.05Å
626	R	56	Low	51.5	Low	77 Å²	77	99.7 Å²	99.7	29%	0.291	53%	0.528	S	S	.	.	H	α-helix	trans	-68.3	-31.4	175.3	-78.2	176.9	176.6	142.7	11.8	114.2	P111 E622 L623 E624 R628 E629 I630	P111-R626 VanDerWaalsContact CD-NH1 3.34Å; E622-R626 WeakPolarHBondContact O-CB 3.39Å; E622-R626 WeakPolarHBondContact O-CG 3.37Å; E622-R626 PolarHBondContact O-N 2.86Å; E622-R626 IonicContact OE1-CZ 2.74Å; E622-R626 IonicContact OE1-NH1 3.59Å; E622-R626 PolarHBondContact OE1-NH1 3.13Å; E622-R626 IonicContact OE1-NH2 2.91Å; E622-R626 PolarHBondContact OE1-NH2 3.29Å; L623-R626 PolarHBondContact O-N 3.02Å; E624-R626 PolarHBondContact O-N 3.34Å; R626-R628 VanDerWaalsContact C-N 3.29Å; R626-E629 PolarHBondContact O-N 3Å; R626-I630 WeakPolarHBondContact O-CB 3.45Å; R626-I630 WeakPolarHBondContact O-CG1 3.49Å; R626-I630 PolarHBondContact O-N 3.41Å
627	L	53.4	Low	50.6	Low	97 Å²	97	101.2 Å²	101.2	51%	0.508	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-30.9	172.4	-76.3	164.2	0	0	0	111.5	L623 E624 N625 G631	L623-L627 WeakPolarHBondContact O-CB 3.33Å; L623-L627 WeakPolarHBondContact O-CG 3.29Å; L623-L627 PolarHBondContact O-N 3.35Å; E624-L627 PolarHBondContact O-N 2.79Å; N625-L627 PolarHBondContact O-N 2.69Å; L627-G631 PolarHBondContact O-N 3.07Å; L627-G631 VanDerWaalsContact O-N 3.14Å
628	R	62	Low	49	Very low	170 Å²	170	100.9 Å²	100.9	64%	0.642	56%	0.562	S	S	*	*	H	α-helix	trans	-69.5	-47.9	169.7	-65.4	162.9	-176.7	-113.9	5.1	111.2	E624 N625 R626 I630 G631	E624-R628 WeakPolarHBondContact O-CG 3.46Å; E624-R628 PolarHBondContact O-N 2.77Å; E624-R628 IonicContact OE1-CZ 3.55Å; E624-R628 IonicContact OE1-NE 2.71Å; E624-R628 PolarHBondContact OE1-NE 2.68Å; E624-R628 IonicContact OE1-NH2 3.27Å; E624-R628 PolarHBondContact OE1-NH2 3.02Å; N625-R628 WeakPolarHBondContact O-CB 3.33Å; N625-R628 PolarHBondContact O-N 3.29Å; N625-R628 VanDerWaalsContact O-N 3.16Å; R626-R628 VanDerWaalsContact C-N 3.29Å; R628-I630 PolarHBondContact O-N 2.89Å; R628-G631 PolarHBondContact O-N 3.36Å
629	E	55.5	Low	47.1	Very low	149 Å²	149	99.6 Å²	99.6	70%	0.696	57%	0.574	S	S	*	*	H	α-helix	trans	-59.4	-46	177.5	-70.9	178.9	144.1	0	0	113.2	N625 R626 G631	N625-E629 WeakPolarHBondContact O-CG 3.31Å; N625-E629 PolarHBondContact O-N 3.05Å; R626-E629 PolarHBondContact O-N 3Å; E629-G631 VanDerWaalsContact C-N 3.28Å; E629-G631 PolarHBondContact O-N 3.18Å
630	I	53.7	Low	45.7	Very low	123 Å²	123	107.1 Å²	107.1	63%	0.631	60%	0.602	S	S	*	*	H	α-helix	trans	-77.9	-15.6	-179.3	-62.9	171.7	0	0	0	111.7	R626 R628 G632	R626-I630 WeakPolarHBondContact O-CB 3.45Å; R626-I630 WeakPolarHBondContact O-CG1 3.49Å; R626-I630 PolarHBondContact O-N 3.41Å; R628-I630 PolarHBondContact O-N 2.89Å; I630-G632 VanDerWaalsContact C-N 3.26Å; I630-G632 PolarHBondContact O-N 3.43Å
631	G	36.7	Very low	44.7	Very low	53 Å²	53	112.2 Å²	112.2	55%	0.546	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73	-8.3	177.8	0	0	0	0	0	115.5	L627 R628 E629 L633	L627-G631 PolarHBondContact O-N 3.07Å; L627-G631 VanDerWaalsContact O-N 3.14Å; R628-G631 PolarHBondContact O-N 3.36Å; E629-G631 VanDerWaalsContact C-N 3.28Å; E629-G631 PolarHBondContact O-N 3.18Å; G631-L633 VanDerWaalsContact C-N 3.32Å; G631-L633 PolarHBondContact O-N 3.3Å
632	G	30.5	Very low	42.8	Very low	63 Å²	63	116.1 Å²	116.1	65%	0.649	64%	0.643	S	S	*	*			trans	-74.3	58.2	-172	0	0	0	0	0	117	I630	I630-G632 VanDerWaalsContact C-N 3.26Å; I630-G632 PolarHBondContact O-N 3.43Å
633	L	30.1	Very low	41.4	Very low	155 Å²	155	118 Å²	118	81%	0.812	67%	0.67	S	S	*	*	S	Bend	trans	-139.7	149.5	163.5	-92.9	115.2	0	0	0	111.5	G631 Q635	G631-L633 VanDerWaalsContact C-N 3.32Å; G631-L633 PolarHBondContact O-N 3.3Å; L633-Q635 PolarHBondContact O-N 2.64Å
634	P	31.2	Very low	41	Very low	115 Å²	115	126.1 Å²	126.1	75%	0.747	71%	0.707	S	S	*	*			trans	-74	123	-144.4	25.2	-35.1	0	0	0	114.8	G636	P634-G636 VanDerWaalsContact C-N 3.3Å; P634-G636 PolarHBondContact O-N 2.74Å
635	Q	29.6	Very low	39.8	Very low	208 Å²	208	128.1 Å²	128.1	97%	0.972	72%	0.721	S	S	*	*			trans	-73.4	83.5	156	-67	-172.9	0.3	0	0	109.2	L633	L633-Q635 PolarHBondContact O-N 2.64Å
636	G	28.1	Very low	38.4	Very low	58 Å²	58	128.7 Å²	128.7	60%	0.598	73%	0.73	S	S	*	*			trans	-172.1	138.1	179.5	0	0	0	0	0	116	P634	P634-G636 VanDerWaalsContact C-N 3.3Å; P634-G636 PolarHBondContact O-N 2.74Å
637	A	31.6	Very low	37.6	Very low	100 Å²	100	134.2 Å²	134.2	83%	0.826	76%	0.756	S	S	*	*			trans	81.6	141.5	168	0	0	0	0	0	118.9
638	P	34	Very low	36.8	Very low	117 Å²	117	139.1 Å²	139.1	76%	0.76	77%	0.773	S	S	*	*			cis	-134.8	168.7	-46.7	36.2	-22	0	0	0	113.1
639	G	29.3	Very low	35.7	Very low	67 Å²	67	136.3 Å²	136.3	69%	0.691	78%	0.779	S	S	*	*			trans	-66.5	144.1	170.5	0	0	0	0	0	112.9	H641	G639-H641 PolarHBondContact O-N 3.23Å
640	Y	30.4	Very low	34.8	Very low	242 Å²	242	138.1 Å²	138.1	95%	0.949	79%	0.787	S	S	*	*			trans	-68.6	115.4	177.7	-81.8	-95.4	0	0	0	112
641	H	37.5	Very low	34.1	Very low	188 Å²	188	135.9 Å²	135.9	87%	0.87	80%	0.795	S	S	*	*			trans	-114.8	140.9	161.8	-93.9	-92.7	0	0	0	110.7	G639	G639-H641 PolarHBondContact O-N 3.23Å
642	N	29.6	Very low	34.2	Very low	172 Å²	172	139.3 Å²	139.3	92%	0.92	81%	0.805	S	S	*	*			trans	-69.8	137.4	179.2	-72.6	-42.6	0	0	0	112.1
643	A	34.7	Very low	34.4	Very low	103 Å²	103	143 Å²	143	85%	0.851	81%	0.81	S	S	*	*			trans	-146.3	143.3	158.8	0	0	0	0	0	110.4
644	H	39.6	Very low	34.7	Very low	194 Å²	194	146 Å²	146	90%	0.898	81%	0.811	S	S	*	*			trans	-93.9	139.6	-177.1	-102.4	-65.3	0	0	0	112.7
645	N	35.5	Very low	35	Very low	144 Å²	144	148.1 Å²	148.1	77%	0.77	82%	0.815	S	S	*	*			trans	61	115.6	139.5	-156.9	26.4	0	0	0	119.8
646	P	37.2	Very low	35.4	Very low	108 Å²	108	143.3 Å²	143.3	70%	0.701	81%	0.805	S	S	*	*			trans	-100.8	161	-178.9	38.8	-35.2	0	0	0	115
647	K	38.6	Very low	35.8	Very low	192 Å²	192	145.1 Å²	145.1	84%	0.835	81%	0.814	S	S	*	*			trans	-172.6	134.8	145.6	-104.8	151.4	-173	176.4	0	113.2
648	K	37.6	Very low	36.2	Very low	201 Å²	201	145.9 Å²	145.9	87%	0.874	81%	0.813	S	S	*	*			trans	27.4	142.5	146.4	-56.5	-173.8	177.3	-171.6	0	119.3
649	S	37.7	Very low	36.3	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	81%	0.813	S	S	*	*			cis	-159.8	-178.8	44.3	-158.3	0	0	0	0	114.7
650	H	36.7	Very low	36.4	Very low	187 Å²	187	147.9 Å²	147.9	87%	0.866	82%	0.819	S	S	*	*			trans	-60.5	151.6	-172.7	-62.5	-100.8	0	0	0	117
651	G	39.1	Very low	36.7	Very low	76 Å²	76	141.4 Å²	141.4	78%	0.784	81%	0.809	S	S	*	*			trans	-163.8	148.2	160	0	0	0	0	0	109.1
652	T	39.8	Very low	36.4	Very low	126 Å²	126	137.8 Å²	137.8	77%	0.773	81%	0.805	S	S	*	*			trans	-119.2	159.5	-167.1	50.5	0	0	0	0	115.1
653	N	34.8	Very low	36.8	Very low	140 Å²	140	135 Å²	135	75%	0.749	80%	0.799	S	S	*	*			trans	83.7	126.9	152.9	-68.1	-24.3	0	0	0	121.9
654	R	35.9	Very low	36.8	Very low	217 Å²	217	136.8 Å²	136.8	82%	0.819	79%	0.794	S	S	*	*			trans	76.7	114.5	135.9	-78.6	-176.2	169.5	-155.3	-4.4	121.4
655	L	36.8	Very low	36.8	Very low	160 Å²	160	132.8 Å²	132.8	84%	0.838	79%	0.788	S	S	*	*			trans	68.4	143.2	147.3	-48.1	172	0	0	0	114.8
656	S	39.7	Very low	36.8	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	79%	0.793	S	S	*	*			cis	-141.6	143	17.3	-65.3	0	0	0	0	109.4
657	A	36.5	Very low	37	Very low	96 Å²	96	134.9 Å²	134.9	79%	0.793	80%	0.796	S	S	*	*				60.2	97.3	82.6	0	0	0	0	0	116.5
658	S	38.8	Very low	36.8	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	80%	0.796	S	S	*	*			trans	-179.5	125.4	152.7	-75.7	0	0	0	0	106.4
659	S	35.9	Very low	36.9	Very low	109 Å²	109	128.3 Å²	128.3	76%	0.762	79%	0.794	S	S	*	*				66.4	109.2	52.8	-50.7	0	0	0	0	111.4
660	S	31.4	Very low	36.7	Very low	117 Å²	117	129.6 Å²	129.6	82%	0.818	79%	0.793	S	S	*	*			cis	93.2	67.9	26.1	90.4	0	0	0	0	116.4
661	S	36.5	Very low	36.8	Very low	106 Å²	106	125.3 Å²	125.3	74%	0.741	78%	0.784	S	S	*	*			trans	-156.9	136.7	152	52.8	0	0	0	0	107.3
662	S	32.1	Very low	36.9	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	78%	0.783	S	S	*	*			cis	65.2	89.6	41	81	0	0	0	0	113.2
663	S	36.9	Very low	36.7	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	78%	0.782	S	S	*	*			trans	-146.2	116.2	161.3	-171.3	0	0	0	0	108.1
664	D	34.6	Very low	36.8	Very low	141 Å²	141	127.6 Å²	127.6	75%	0.754	79%	0.786	S	S	*	*			trans	-71.7	159.7	177.1	-49.2	-84.2	0	0	0	110.7
665	S	41.1	Very low	36.8	Very low	110 Å²	110	124.4 Å²	124.4	77%	0.769	79%	0.785	S	S	*	*			trans	-153.4	71.3	174.5	-69.9	0	0	0	0	110.1	S667	S665-S667 PolarHBondContact O-N 3.19Å
666	E	35.8	Very low	37	Very low	185 Å²	185	122.4 Å²	122.4	86%	0.864	79%	0.785	S	S	*	*			trans	-56.8	121.7	165.8	-60.9	-71	102.1	0	0	108.8
667	S	39.7	Very low	36.9	Very low	110 Å²	110	122.3 Å²	122.3	77%	0.769	78%	0.784	S	S	*	*			trans	-138	89.5	172.8	-168.5	0	0	0	0	110.7	S665	S665-S667 PolarHBondContact O-N 3.19Å
668	T	35	Very low	37.1	Very low	135 Å²	135	123.8 Å²	123.8	83%	0.828	78%	0.778	S	S	*	*			trans	-71	130.5	165	53	0	0	0	0	109.8
669	S	39.8	Very low	36.9	Very low	121 Å²	121	122.3 Å²	122.3	85%	0.846	77%	0.768	S	S	*	*			trans	-143.8	150.8	159.2	-78.6	0	0	0	0	109.4
670	D	34.5	Very low	36.9	Very low	137 Å²	137	124.7 Å²	124.7	73%	0.733	76%	0.764	S	S	*	*			trans	-133.8	157	-153.4	-176.4	-9	0	0	0	109
671	S	38.1	Very low	37.1	Very low	97 Å²	97	123.9 Å²	123.9	68%	0.678	76%	0.759	S	S	*	*			trans	68.8	143.7	166.6	-56.3	0	0	0	0	115.2
672	S	40.5	Very low	36.8	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	77%	0.769	S	S	*	*			cis	-151.8	144.4	35.3	-50.1	0	0	0	0	112.4
673	E	35.8	Very low	36.9	Very low	161 Å²	161	134.9 Å²	134.9	75%	0.752	77%	0.774	S	S	*	*			trans	-70.6	160.5	163.3	-56.9	177.9	131.7	0	0	110.4
674	S	38.4	Very low	36.6	Very low	119 Å²	119	133.9 Å²	133.9	83%	0.832	77%	0.773	S	S	*	*			trans	-154.6	94.6	164.8	-76.3	0	0	0	0	110.4
675	D	36	Very low	36.4	Very low	151 Å²	151	131.5 Å²	131.5	81%	0.807	77%	0.773	S	S	*	*			trans	-59.5	144.5	170.4	-105.5	-49.4	0	0	0	112.1
676	S	41	Very low	35.9	Very low	118 Å²	118	131.6 Å²	131.6	83%	0.825	77%	0.774	S	S	*	*			trans	-149.3	88.8	165.4	-173.4	0	0	0	0	110.2
677	S	37.7	Very low	35.9	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	77%	0.767	S	S	*	*			trans	-66.8	135.6	171.8	-67.1	0	0	0	0	111.4
678	D	38.7	Very low	35.6	Very low	127 Å²	127	130.6 Å²	130.6	68%	0.679	76%	0.761	S	S	*	*				-152.2	107.9	123.4	-154.3	-3.6	0	0	0	114	K680	D678-K680 IonicContact OD1-NZ 3.95Å; D678-K680 PolarHBondContact OD1-NZ 3.4Å; D678-K680 IonicContact OD2-NZ 3.88Å; D678-K680 PolarHBondContact OD2-NZ 3.41Å
679	S	35	Very low	35.5	Very low	83 Å²	83	131.8 Å²	131.8	58%	0.58	76%	0.755	S	S	*	*			trans	2.7	130.4	138.6	-10.3	0	0	0	0	119.9
680	K	36.6	Very low	35.2	Very low	159 Å²	159	135 Å²	135	69%	0.691	76%	0.756	S	S	*	*				160	126.1	111.3	-86	160.2	-141.7	83.9	0	114.8	D678	D678-K680 IonicContact OD1-NZ 3.95Å; D678-K680 PolarHBondContact OD1-NZ 3.4Å; D678-K680 IonicContact OD2-NZ 3.88Å; D678-K680 PolarHBondContact OD2-NZ 3.41Å
681	S	35.8	Very low	34.9	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	76%	0.761	S	S	*	*			trans	51.3	100.4	146	63.1	0	0	0	0	120.1	K683	S681-K683 PolarHBondContact O-N 2.94Å
682	Y	29.9	Very low	34.7	Very low	241 Å²	241	137.1 Å²	137.1	95%	0.945	76%	0.764	S	S	*	*			trans	-58.3	123.3	146.2	-46.1	-81.8	0	0	0	109.7
683	K	34.9	Very low	34.2	Very low	209 Å²	209	136.7 Å²	136.7	91%	0.909	75%	0.753	S	S	*	*			trans	-142.3	137.3	165.7	-142.9	175.8	-173.2	-179.2	0	109.2	S681	S681-K683 PolarHBondContact O-N 2.94Å
684	A	30.8	Very low	34	Very low	92 Å²	92	136.4 Å²	136.4	76%	0.76	75%	0.752	S	S	*	*			trans	-121.5	166	-159.7	0	0	0	0	0	114
685	A	29.9	Very low	33.7	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	75%	0.747	S	S	*	*			trans	74.1	161.9	153.9	0	0	0	0	0	119.4
686	S	31.3	Very low	33.4	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	74%	0.738	S	S	*	*			trans	56.2	109.4	179.1	45.2	0	0	0	0	114.9
687	D	33.9	Very low	32.9	Very low	135 Å²	135	131.8 Å²	131.8	72%	0.722	73%	0.726	S	S	*	*			cis	59.7	85.3	24.6	-163.4	0.5	0	0	0	114.2
688	H	33.8	Very low	32.6	Very low	139 Å²	139	132.7 Å²	132.7	64%	0.644	73%	0.727	S	S	*	*				-176.3	128.1	124	-99.4	19.4	0	0	0	109.5
689	K	32.8	Very low	32.5	Very low	160 Å²	160	129.2 Å²	129.2	70%	0.696	72%	0.722	S	S	*	*				83.3	98.6	57.3	176.5	-152.6	-175.5	-176.2	0	112
690	Q	33.7	Very low	32.6	Very low	187 Å²	187	130 Å²	130	87%	0.874	72%	0.719	S	S	*	*			trans	-164	106	134	-111.3	166.9	3.1	0	0	111.9
691	S	28.2	Very low	32.3	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	72%	0.717	S	S	*	*			trans	-116.3	93.9	157	56.2	0	0	0	0	107.3
692	H	33.2	Very low	32.2	Very low	159 Å²	159	131 Å²	131	74%	0.736	72%	0.719	S	S	*	*			trans	-148.8	140	174.5	-117.7	-104.8	0	0	0	104.4
693	D	31.7	Very low	32.4	Very low	100 Å²	100	124.5 Å²	124.5	54%	0.535	71%	0.708	S	S	.	*			cis	-162.7	169.6	5.1	-155.6	-2.3	0	0	0	110.4
694	Q	30.8	Very low	32.2	Very low	154 Å²	154	119.4 Å²	119.4	72%	0.72	70%	0.699	S	S	*	*			trans	50.8	159.1	148.6	-82.1	176.8	80.2	0	0	121.1
695	V	31.7	Very low	32.1	Very low	122 Å²	122	124.3 Å²	124.3	74%	0.739	70%	0.703	S	S	*	*			cis	-166.3	156.4	-33.6	116.3	0	0	0	0	106.7
696	S	29.1	Very low	32.1	Very low	88 Å²	88	124.4 Å²	124.4	62%	0.615	70%	0.698	S	S	*	*			trans	-158.1	171.6	174.3	-84.7	0	0	0	0	113.9	G699	S696-G699 CarbonylContact C-O 3.57Å; S696-G699 VanDerWaalsContact CB-O 3.29Å; S696-G699 WeakPolarHBondContact CB-O 3.27Å
697	S	30.7	Very low	32.1	Very low	82 Å²	82	124.3 Å²	124.3	57%	0.573	69%	0.693	S	S	*	*	S	Bend	trans	-145.4	152.7	-172.2	61.1	0	0	0	0	112.7	G699 L700	S697-G699 PolarHBondContact N-O 3.02Å; S697-G699 CarbonylContact O-C 3.6Å; S697-L700 WeakPolarHBondContact O-CG 3.28Å; S697-L700 PolarHBondContact O-N 2.69Å
698	T	31.9	Very low	31.8	Very low	125 Å²	125	123.5 Å²	123.5	77%	0.767	69%	0.693	S	S	*	*	S	Bend	trans	91.2	-9.5	-166.2	77.4	0	0	0	0	119.4	L700	T698-L700 WeakPolarHBondContact OG1-CA 3.34Å; T698-L700 PolarHBondContact OG1-N 2.75Å
699	G	37.1	Very low	31.5	Very low	54 Å²	54	124.6 Å²	124.6	56%	0.557	70%	0.696	S	S	*	*			cis	-71.8	8.3	-13.2	0	0	0	0	0	115.2	S696 S697	S696-G699 CarbonylContact C-O 3.57Å; S696-G699 VanDerWaalsContact CB-O 3.29Å; S696-G699 WeakPolarHBondContact CB-O 3.27Å; S697-G699 PolarHBondContact N-O 3.02Å; S697-G699 CarbonylContact O-C 3.6Å
700	L	35.8	Very low	31.3	Very low	100 Å²	100	123.6 Å²	123.6	52%	0.524	70%	0.697	S	S	.	*			trans	58.1	105	-156.9	-81.2	161.8	0	0	0	109.2	S697 T698	S697-L700 WeakPolarHBondContact O-CG 3.28Å; S697-L700 PolarHBondContact O-N 2.69Å; T698-L700 WeakPolarHBondContact OG1-CA 3.34Å; T698-L700 PolarHBondContact OG1-N 2.75Å
701	Q	32.3	Very low	31	Very low	139 Å²	139	117.8 Å²	117.8	65%	0.65	68%	0.677	S	S	*	*				51.9	117.3	71.3	-60.6	-166.4	5.1	0	0	113.9
702	N	33.2	Very low	31.1	Very low	139 Å²	139	118.9 Å²	118.9	74%	0.743	67%	0.673	S	S	*	*			trans	71.6	153.4	138	-57.9	-20.3	0	0	0	119.7
703	C	33.1	Very low	30.8	Very low	106 Å²	106	117.6 Å²	117.6	72%	0.716	67%	0.672	S	S	*	*			trans	63.2	100.7	170.9	-60.6	0	0	0	0	113.9
704	S	31	Very low	30.7	Very low	102 Å²	102	118.1 Å²	118.1	71%	0.713	68%	0.683	S	S	*	*			cis	59.8	135	37.9	-32.5	0	0	0	0	113.5
705	K	29.1	Very low	30.9	Very low	194 Å²	194	118.2 Å²	118.2	84%	0.843	69%	0.689	S	S	*	*			trans	76.2	144.5	-172.2	-46.8	156.7	-174	175	0	112
706	S	29.7	Very low	30.7	Very low	95 Å²	95	118.6 Å²	118.6	66%	0.664	69%	0.686	S	S	*	*			cis	-143.7	145.6	-5.4	-132.8	0	0	0	0	107.1
707	T	31.2	Very low	31	Very low	110 Å²	110	120.7 Å²	120.7	68%	0.675	70%	0.695	S	S	*	*			cis	56.3	67.4	45.5	-48	0	0	0	0	112.1	F709	T707-F709 HydrophobicContact CG2-CB 4.25Å; T707-F709 HydrophobicContact CG2-CD2 4.04Å; T707-F709 HydrophobicContact CG2-CG 4.45Å
708	V	28.2	Very low	30.8	Very low	118 Å²	118	122.3 Å²	122.3	72%	0.715	70%	0.702	S	S	*	*			trans	-138.9	103	147.9	-173.6	0	0	0	0	103.8	L710	V708-L710 HydrophobicContact CG1-CG 4.14Å
709	F	26.5	Very low	30.8	Very low	162 Å²	162	123.5 Å²	123.5	71%	0.711	70%	0.703	S	S	*	*			cis	68.6	50.2	24.7	-116.4	-72.9	0	0	0	114	T707 S711	T707-F709 HydrophobicContact CG2-CB 4.25Å; T707-F709 HydrophobicContact CG2-CD2 4.04Å; T707-F709 HydrophobicContact CG2-CG 4.45Å; F709-S711 WeakPolarHBondContact CD1-OG 3.47Å; F709-S711 VanDerWaalsContact CE1-OG 3.29Å; F709-S711 WeakPolarHBondContact CE1-OG 3.39Å
710	L	29.2	Very low	30.5	Very low	139 Å²	139	129.9 Å²	129.9	73%	0.728	72%	0.716	S	S	*	*			trans	-114.5	117.9	139.9	-61.1	173.8	0	0	0	104.9	V708	V708-L710 HydrophobicContact CG1-CG 4.14Å
711	S	27.8	Very low	30.3	Very low	65 Å²	65	131.2 Å²	131.2	46%	0.455	73%	0.728	S	S	.	*			cis	57.2	52.3	11.4	-69.3	0	0	0	0	114	F709	F709-S711 WeakPolarHBondContact CD1-OG 3.47Å; F709-S711 VanDerWaalsContact CE1-OG 3.29Å; F709-S711 WeakPolarHBondContact CE1-OG 3.39Å
712	L	30.5	Very low	30.2	Very low	144 Å²	144	128.9 Å²	128.9	75%	0.754	73%	0.727	S	S	*	*			trans	-114.6	91.7	134.2	-63.6	174	0	0	0	104.3
713	N	26.5	Very low	30	Very low	132 Å²	132	129.1 Å²	129.1	71%	0.706	73%	0.727	S	S	*	*				83.6	132.4	76	-73.8	-3.5	0	0	0	111.6
714	S	29.1	Very low	30	Very low	111 Å²	111	131 Å²	131	78%	0.776	73%	0.73	S	S	*	*			trans	-70.3	134.5	170.8	-47.4	0	0	0	0	110.7
715	D	34.8	Very low	30	Very low	156 Å²	156	134.4 Å²	134.4	83%	0.834	74%	0.735	S	S	*	*			trans	-148.9	90.7	148.6	-75.9	-54	0	0	0	103.1
716	D	28.1	Very low	30.4	Very low	129 Å²	129	131.2 Å²	131.2	69%	0.69	73%	0.734	S	S	*	*				49.8	65.6	64.7	-159.5	14.3	0	0	0	114.2
717	V	34.6	Very low	30.4	Very low	132 Å²	132	131 Å²	131	80%	0.8	73%	0.732	S	S	*	*			trans	-123.4	92.3	145.5	-177.9	0	0	0	0	108.4
718	T	27.3	Very low	30.5	Very low	116 Å²	116	132 Å²	132	71%	0.712	74%	0.738	S	S	*	*			trans	-58	138.6	157.2	56.4	0	0	0	0	109.8
719	N	32.6	Very low	30.7	Very low	151 Å²	151	135.2 Å²	135.2	81%	0.807	74%	0.743	S	S	*	*			trans	-148.3	128.7	147.1	-134.7	-24.2	0	0	0	113.2
720	K	29	Very low	31.1	Very low	187 Å²	187	131.5 Å²	131.5	81%	0.813	74%	0.737	S	S	*	*			trans	-94.3	121.5	176.3	-66.1	169.6	178.4	171.1	0	108.8
721	T	33.2	Very low	31.2	Very low	128 Å²	128	129.1 Å²	129.1	79%	0.785	74%	0.737	S	S	*	*			trans	-149.7	98.1	151.3	-32.5	0	0	0	0	107.1
722	S	29	Very low	31.5	Very low	90 Å²	90	133.6 Å²	133.6	63%	0.629	76%	0.755	S	S	*	*				69.8	130.1	71.3	-75.9	0	0	0	0	114.5
723	I	29.6	Very low	31.7	Very low	144 Å²	144	133.2 Å²	133.2	74%	0.738	75%	0.754	S	S	*	*			trans	68.5	90.9	144.1	-60.1	162.8	0	0	0	115.7
724	N	33.8	Very low	32	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	76%	0.755	S	S	*	*				178.7	139.8	97.6	-100.6	-30.4	0	0	0	113.8
725	Q	30.5	Very low	32.4	Very low	172 Å²	172	133.2 Å²	133.2	80%	0.804	76%	0.758	S	S	*	*			trans	-87.7	156	141.6	-74.4	-174.3	-12.8	0	0	108.2
726	P	37.2	Very low	32.4	Very low	128 Å²	128	129.8 Å²	129.8	83%	0.831	75%	0.752	S	S	*	*			trans	-122.6	133.8	138.2	34.2	-27.2	0	0	0	111.3
727	S	30.1	Very low	32.7	Very low	90 Å²	90	129.7 Å²	129.7	63%	0.629	76%	0.761	S	S	*	*			trans	-99	179.4	164.9	57	0	0	0	0	110.2
728	T	32.1	Very low	32.7	Very low	130 Å²	130	127 Å²	127	80%	0.798	76%	0.76	S	S	*	*			trans	72.9	141.9	-175.5	80.6	0	0	0	0	112.9
729	F	32.8	Very low	33.1	Very low	186 Å²	186	128.6 Å²	128.6	82%	0.816	76%	0.764	S	S	*	*				-151.5	153.6	51.4	-157	-122.5	0	0	0	113.7
730	S	35.4	Very low	33.1	Very low	85 Å²	85	132.2 Å²	132.2	59%	0.594	77%	0.768	S	S	*	*			trans	25.1	133.7	158.8	62.7	0	0	0	0	122
731	A	32.3	Very low	33.4	Very low	88 Å²	88	129.8 Å²	129.8	73%	0.727	76%	0.764	S	S	*	*			cis	84.4	155	37.8	0	0	0	0	0	116.1
732	L	33	Very low	33.7	Very low	159 Å²	159	131.7 Å²	131.7	83%	0.832	77%	0.77	S	S	*	*			trans	78	142.7	-175.5	-49.1	178.3	0	0	0	114.9
733	D	35.1	Very low	33.9	Very low	137 Å²	137	134 Å²	134	73%	0.733	78%	0.775	S	S	*	*			cis	-148.1	175.9	-2.5	-137.3	-37.8	0	0	0	113.9
734	S	32.5	Very low	34.2	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	78%	0.782	S	S	*	*			trans	-89.4	176	-178.2	-53.7	0	0	0	0	113.8
735	V	36.7	Very low	34.2	Very low	140 Å²	140	135 Å²	135	85%	0.848	78%	0.778	S	S	*	*				178.5	134	125.5	147.7	0	0	0	0	112.7
736	A	36.6	Very low	34.4	Very low	84 Å²	84	137.5 Å²	137.5	69%	0.694	78%	0.782	S	S	*	*			trans	8.5	162.5	150.3	0	0	0	0	0	122.9
737	S	32.7	Very low	34.2	Very low	128 Å²	128	135.1 Å²	135.1	90%	0.895	77%	0.773	S	S	*	*			cis	-178.5	159.1	-18.8	-88.4	0	0	0	0	108.5
738	G	35.4	Very low	34.5	Very low	76 Å²	76	139.4 Å²	139.4	78%	0.784	78%	0.783	S	S	*	*			trans	167.8	113.6	165.5	0	0	0	0	0	115.4
739	N	35.1	Very low	34.7	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	78%	0.776	S	S	*	*			trans	-87.8	165.1	175	-62.7	-7.5	0	0	0	111.5
740	Y	34.1	Very low	35	Very low	227 Å²	227	136.9 Å²	136.9	89%	0.89	78%	0.779	S	S	*	*				-174.1	138.1	108.6	-97.2	-67.4	0	0	0	111.7
741	N	33.9	Very low	35	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	79%	0.791	S	S	*	*			trans	-104.1	167.5	172.6	-66.7	-4.1	0	0	0	110.3
742	N	39.1	Very low	35.3	Very low	167 Å²	167	142.7 Å²	142.7	89%	0.893	79%	0.791	S	S	*	*				-168.9	137.8	128.9	-92.8	-26.7	0	0	0	111.6
743	D	34.1	Very low	35.5	Very low	139 Å²	139	144.9 Å²	144.9	74%	0.743	79%	0.794	S	S	*	*			trans	-85.2	171.7	173.4	-52	-90.4	0	0	0	112.4
744	I	36.3	Very low	35.3	Very low	171 Å²	171	143 Å²	143	88%	0.877	80%	0.797	S	S	*	*			trans	-166.2	153.6	130.2	-102.5	156.8	0	0	0	111.3
745	I	33	Very low	35.5	Very low	140 Å²	140	146.4 Å²	146.4	72%	0.718	80%	0.802	S	S	*	*			trans	-105.9	170.8	-170.4	-73.1	170.4	0	0	0	111.1
746	Y	35	Very low	35.3	Very low	226 Å²	226	148 Å²	148	89%	0.886	80%	0.8	S	S	*	*			trans	124.5	140.3	156.9	-71.8	-70.9	0	0	0	112.3
747	A	33.9	Very low	35.2	Very low	78 Å²	78	150.4 Å²	150.4	65%	0.645	80%	0.801	S	S	*	*			cis	163.9	145.5	-36.5	0	0	0	0	0	107.1
748	E	35.7	Very low	35.3	Very low	180 Å²	180	152.7 Å²	152.7	84%	0.841	80%	0.798	S	S	*	*			trans	62.7	116.5	158.8	-78.2	-158.4	85.7	0	0	123
749	S	35.2	Very low	35.5	Very low	92 Å²	92	155.1 Å²	155.1	64%	0.643	80%	0.803	S	S	*	*				100.9	156.5	114.3	-70.1	0	0	0	0	122.6
750	I	39.1	Very low	35.5	Very low	171 Å²	171	153 Å²	153	88%	0.877	80%	0.8	S	S	*	*			trans	97	136.2	166.9	-51.2	-173.4	0	0	0	117.8
751	E	35.8	Very low	35.7	Very low	182 Å²	182	150.3 Å²	150.3	85%	0.85	80%	0.8	S	S	*	*			trans	-88.8	172.2	-169.5	-101.3	-170.9	122	0	0	115.1
752	P	38.9	Very low	35.9	Very low	112 Å²	112	149.8 Å²	149.8	73%	0.727	80%	0.803	S	S	*	*			trans	-87.4	164.9	-165.8	35.7	-38	0	0	0	115.6
753	K	37	Very low	35.8	Very low	206 Å²	206	150.8 Å²	150.8	90%	0.896	80%	0.802	S	S	*	*			trans	-137.2	161	159.7	-79.1	-167.1	174	-174.4	0	111.3
754	A	32	Very low	36	Very low	96 Å²	96	148.6 Å²	148.6	79%	0.793	80%	0.798	S	S	*	*			trans	-130.4	137.6	178.2	0	0	0	0	0	111
755	E	36.1	Very low	35.6	Very low	175 Å²	175	149.8 Å²	149.8	82%	0.818	80%	0.799	S	S	*	*			trans	-152.8	120.5	164.7	-95.5	145.5	-140.5	0	0	103.8
756	Q	31.9	Very low	36.1	Very low	174 Å²	174	148.8 Å²	148.8	81%	0.813	80%	0.802	S	S	*	*				59.5	97.6	69.8	-69.3	-160.4	-24.2	0	0	113.8
757	N	35.1	Very low	36.2	Very low	134 Å²	134	144.8 Å²	144.8	72%	0.717	80%	0.796	S	S	*	*				172.1	121.5	120.4	-82.6	-10.2	0	0	0	109.7
758	E	35.1	Very low	36.3	Very low	176 Å²	176	146.2 Å²	146.2	82%	0.822	80%	0.801	S	S	*	*				73.2	107.4	98.6	-64.6	-161.8	144.4	0	0	115.6
759	S	38.9	Very low	36.5	Very low	127 Å²	127	142.8 Å²	142.8	89%	0.888	80%	0.795	S	S	*	*				-162.7	151.7	129.3	28.7	0	0	0	0	108.3
760	S	35.3	Very low	36.6	Very low	103 Å²	103	146.8 Å²	146.8	72%	0.72	80%	0.802	S	S	*	*			trans	-146	122.9	-176.3	57.6	0	0	0	0	109.9
761	D	38.8	Very low	36.3	Very low	170 Å²	170	146.7 Å²	146.7	91%	0.909	80%	0.799	S	S	*	*			trans	-110.5	132.6	169.4	-77.5	-54.2	0	0	0	110.4
762	T	36.8	Very low	36.1	Very low	127 Å²	127	144.1 Å²	144.1	78%	0.779	79%	0.79	S	S	*	*			trans	-143.7	94.6	-175.9	39.6	0	0	0	0	111.2
763	E	37.3	Very low	36	Very low	188 Å²	188	144.7 Å²	144.7	88%	0.879	79%	0.793	S	S	*	*			trans	-143.1	149.9	164.3	-73	-154.6	130.3	0	0	108.4
764	S	38.5	Very low	35.9	Very low	93 Å²	93	142 Å²	142	65%	0.65	78%	0.784	S	S	*	*			cis	169.7	129.1	-31.6	48.1	0	0	0	0	103.5
765	E	28.7	Very low	36.2	Very low	196 Å²	196	142.6 Å²	142.6	92%	0.916	78%	0.78	S	S	*	*			trans	-87.5	143.1	177.8	-84.9	-161.2	-163.6	0	0	112.1
766	P	42.8	Very low	36.4	Very low	118 Å²	118	140.9 Å²	140.9	77%	0.766	78%	0.781	S	S	*	*			trans	-132.5	95.4	151.1	35.4	-20.2	0	0	0	113.7
767	N	37.3	Very low	36.5	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	78%	0.783	S	S	*	*				41.7	126	116.3	-138.7	-17.2	0	0	0	121.4
768	S	35.4	Very low	36.3	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	78%	0.777	S	S	*	*			trans	82.1	157.6	144.5	-75.6	0	0	0	0	121.7
769	P	40.3	Very low	36.2	Very low	109 Å²	109	139.3 Å²	139.3	71%	0.708	78%	0.776	S	S	*	*			trans	-132.8	157.3	-140.4	42	-26.4	0	0	0	119.4
770	H	37.3	Very low	36.1	Very low	175 Å²	175	138.9 Å²	138.9	81%	0.81	77%	0.773	S	S	*	*			trans	-160.7	158.2	167.4	-84.3	-76.3	0	0	0	108.9
771	Q	33.3	Very low	36.1	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	77%	0.771	S	S	*	*			cis	-161.7	-177.2	-15.8	-173.5	152	-76.4	0	0	110.6
772	L	32	Very low	36	Very low	127 Å²	127	138.7 Å²	138.7	67%	0.665	77%	0.77	S	S	*	*			trans	-69.7	167.6	178.5	-62.2	169.4	0	0	0	114.8	Q774	L772-Q774 HydrophobicContact CB-CG 4.15Å; L772-Q774 HydrophobicContact CD1-CG 3.99Å; L772-Q774 HydrophobicContact CD2-CG 4.32Å; L772-Q774 HydrophobicContact CG-CG 4.4Å
773	P	36.5	Very low	35.9	Very low	124 Å²	124	137 Å²	137	81%	0.805	76%	0.764	S	S	*	*				-117.2	154.2	55.3	36.9	-27.6	0	0	0	115
774	Q	34	Very low	35.9	Very low	149 Å²	149	137.3 Å²	137.3	70%	0.696	76%	0.762	S	S	*	*			cis	89.2	123.1	34.2	-74.4	-73.6	-2.7	0	0	115.6	L772	L772-Q774 HydrophobicContact CB-CG 4.15Å; L772-Q774 HydrophobicContact CD1-CG 3.99Å; L772-Q774 HydrophobicContact CD2-CG 4.32Å; L772-Q774 HydrophobicContact CG-CG 4.4Å
775	P	39.4	Very low	35.7	Very low	109 Å²	109	142.8 Å²	142.8	71%	0.708	77%	0.774	S	S	*	*			trans	-118.6	164.8	-169.4	43.2	-34.7	0	0	0	118.2
776	V	38.9	Very low	36.3	Very low	139 Å²	139	139 Å²	139	84%	0.842	77%	0.766	S	S	*	*			trans	-160.1	163.9	161.5	-116.1	0	0	0	0	107.5
777	W	35.5	Very low	35.9	Very low	223 Å²	223	138.3 Å²	138.3	85%	0.845	76%	0.764	S	S	*	*			cis	-151.9	165.1	3.4	46.1	-94.5	0	0	0	107.6
778	A	30.3	Very low	36	Very low	73 Å²	73	136 Å²	136	60%	0.603	76%	0.759	S	S	*	*			cis	109.3	130.4	5.1	0	0	0	0	0	117.1
779	I	34.1	Very low	36.2	Very low	155 Å²	155	139.1 Å²	139.1	80%	0.795	76%	0.762	S	S	*	*			trans	81.9	110.4	165.9	-54.2	167	0	0	0	119.6
780	S	35.7	Very low	36.1	Very low	119 Å²	119	141.7 Å²	141.7	83%	0.832	77%	0.77	S	S	*	*			trans	64	156.2	155	76.4	0	0	0	0	119.7
781	G	35.8	Very low	36.2	Very low	65 Å²	65	136 Å²	136	67%	0.67	76%	0.758	S	S	*	*			cis	169	172.5	-8.3	0	0	0	0	0	113.9
782	F	36.4	Very low	36.5	Very low	204 Å²	204	134.2 Å²	134.2	90%	0.895	76%	0.76	S	S	*	*			trans	69.8	103.2	166	-80.2	-94.6	0	0	0	122.3
783	S	35.3	Very low	36.7	Very low	92 Å²	92	134.1 Å²	134.1	64%	0.643	77%	0.77	S	S	*	*				73.6	122.8	121	-73.9	0	0	0	0	124.4
784	K	36.3	Very low	36.8	Very low	194 Å²	194	131.9 Å²	131.9	84%	0.843	77%	0.769	S	S	*	*			trans	79.9	98.8	132.1	-72.1	-177.7	176.4	178.2	0	122
785	K	35.4	Very low	37.1	Very low	207 Å²	207	134.8 Å²	134.8	90%	0.9	78%	0.779	S	S	*	*			trans	72.8	156.7	130.2	-85.6	-155.5	170.2	-167.3	0	120.4
786	P	39.6	Very low	37.1	Very low	116 Å²	116	135.5 Å²	135.5	75%	0.753	78%	0.784	S	S	*	*			trans	-126.1	168.6	-161.2	43.4	-29.2	0	0	0	115.7
787	S	36.3	Very low	36.9	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	78%	0.782	S	S	*	*			trans	-172.6	153.6	148.9	56.6	0	0	0	0	110.9
788	S	38	Very low	36.9	Very low	95 Å²	95	132.4 Å²	132.4	66%	0.664	78%	0.778	S	S	*	*			trans	57.2	150.9	149.9	53.5	0	0	0	0	119.7
789	E	39.5	Very low	37.2	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	78%	0.783	S	S	*	*			cis	-167.5	161	-11.9	-110.2	157.7	-167.5	0	0	106.9
790	D	39.2	Very low	37.5	Very low	163 Å²	163	131.5 Å²	131.5	87%	0.872	78%	0.776	S	S	*	*			trans	46.2	155.8	158.9	-72.6	-6.8	0	0	0	122.1
791	G	38.6	Very low	37.6	Very low	55 Å²	55	131 Å²	131	57%	0.567	77%	0.772	S	S	*	*			cis	168.9	164	-6.3	0	0	0	0	0	113.6
792	T	39.1	Very low	37.6	Very low	134 Å²	134	132.7 Å²	132.7	82%	0.822	77%	0.773	S	S	*	*			trans	53.1	110.5	155.1	47	0	0	0	0	122.4
793	S	36.2	Very low	37.6	Very low	125 Å²	125	129.6 Å²	129.6	87%	0.874	77%	0.771	S	S	*	*				89.4	140.2	118.9	79.8	0	0	0	0	122.2
794	G	39.5	Very low	37.6	Very low	77 Å²	77	129.3 Å²	129.3	79%	0.794	77%	0.774	S	S	*	*			trans	176.1	131.2	168.2	0	0	0	0	0	109.5
795	K	39.8	Very low	37.6	Very low	209 Å²	209	126.4 Å²	126.4	91%	0.909	77%	0.773	S	S	*	*			trans	-118.2	151.2	-174.4	-77.7	-176.7	177.6	177.9	0	112.6
796	P	39.7	Very low	37.5	Very low	125 Å²	125	121.8 Å²	121.8	81%	0.812	77%	0.766	S	S	*	*			trans	-88.1	168.1	176.4	37.4	-37	0	0	0	113.2
797	L	34.8	Very low	37.3	Very low	153 Å²	153	124 Å²	124	80%	0.801	77%	0.771	S	S	*	*			trans	-159.2	119.6	177.2	-164.4	73.7	0	0	0	114
798	L	36.3	Very low	37.2	Very low	143 Å²	143	123 Å²	123	75%	0.749	76%	0.764	S	S	*	*			trans	50.5	165.2	147	-56.6	176.5	0	0	0	119.8
799	T	36.5	Very low	37	Very low	118 Å²	118	127.4 Å²	127.4	72%	0.724	77%	0.774	S	S	*	*			cis	-167.8	160.9	7.5	5.7	0	0	0	0	106.5
800	S	38.9	Very low	36.9	Very low	91 Å²	91	125.2 Å²	125.2	64%	0.636	77%	0.772	S	S	*	*			cis	179.8	165.1	-17.8	50.3	0	0	0	0	110.8
801	S	38.6	Very low	36.6	Very low	109 Å²	109	123 Å²	123	76%	0.762	77%	0.77	S	S	*	*			trans	67.7	159.1	160	61.7	0	0	0	0	118
802	C	35.2	Very low	36.4	Very low	101 Å²	101	125.9 Å²	125.9	68%	0.682	78%	0.781	S	S	*	*			cis	-143.6	150.6	18	-44.6	0	0	0	0	114.8
803	T	36.3	Very low	36.1	Very low	138 Å²	138	125.2 Å²	125.2	85%	0.847	78%	0.777	S	S	*	*			trans	30	150.2	136.8	59.8	0	0	0	0	123.6
804	A	35.3	Very low	36	Very low	86 Å²	86	126.1 Å²	126.1	71%	0.711	78%	0.777	S	S	*	*			cis	-177.6	168.5	-14.2	0	0	0	0	0	111.5
805	T	36.2	Very low	35.7	Very low	134 Å²	134	128.2 Å²	128.2	82%	0.822	77%	0.774	S	S	*	*			trans	116.1	91.9	153.2	-43.9	0	0	0	0	112.8
806	S	33.3	Very low	35.3	Very low	109 Å²	109	122.5 Å²	122.5	76%	0.762	77%	0.766	S	S	*	*				93.4	114.8	60.5	-170.9	0	0	0	0	113.2
807	L	36.6	Very low	34.9	Very low	163 Å²	163	121 Å²	121	85%	0.853	76%	0.764	S	S	*	*			trans	166.1	72.2	157.9	-93.3	174.7	0	0	0	106.9
808	S	34.5	Very low	35.1	Very low	84 Å²	84	125.5 Å²	125.5	59%	0.587	77%	0.771	S	S	*	*				65.1	92.2	96.1	69.8	0	0	0	0	114.1
809	E	33.6	Very low	35	Very low	187 Å²	187	126.8 Å²	126.8	87%	0.874	78%	0.775	S	S	*	*				90.2	144.2	110.9	-76.2	178.5	177.2	0	0	113.7
810	V	36.2	Very low	34.9	Very low	125 Å²	125	127.4 Å²	127.4	76%	0.758	78%	0.778	S	S	*	*			cis	-127.6	157.4	13.1	-80.1	0	0	0	0	113.2
811	S	34.1	Very low	34.8	Very low	117 Å²	117	130 Å²	130	82%	0.818	79%	0.785	S	S	*	*			trans	-147.3	128.9	163	-83.1	0	0	0	0	110.6
812	S	33.4	Very low	34.6	Very low	116 Å²	116	131 Å²	131	81%	0.811	79%	0.786	S	S	*	*			trans	-108.7	82.7	-176.3	-66.6	0	0	0	0	111.6	V814	S812-V814 PolarHBondContact O-N 2.85Å
813	T	34.2	Very low	34.6	Very low	119 Å²	119	133.8 Å²	133.8	73%	0.73	79%	0.793	S	S	*	*			trans	-75.3	113.5	172.3	-57.6	0	0	0	0	110.6	V815	T813-V815 HydrophobicContact CG2-CG2 3.77Å
814	V	33.9	Very low	34.7	Very low	144 Å²	144	132.4 Å²	132.4	87%	0.873	79%	0.786	S	S	*	*			trans	-97.2	97	168.8	-178.4	0	0	0	0	109.4	S812	S812-V814 PolarHBondContact O-N 2.85Å
815	V	33	Very low	34.9	Very low	121 Å²	121	136 Å²	136	73%	0.733	79%	0.794	S	S	*	*			trans	-104.8	152.8	167.1	164	0	0	0	0	109.1	T813	T813-V815 HydrophobicContact CG2-CG2 3.77Å
816	A	30.8	Very low	35.7	Very low	90 Å²	90	135.4 Å²	135.4	74%	0.744	79%	0.792	S	S	*	*			trans	97.1	149.3	165.1	0	0	0	0	0	119.4
817	A	32	Very low	36	Very low	93 Å²	93	138 Å²	138	77%	0.769	80%	0.796	S	S	*	*			trans	65	90.4	159.2	0	0	0	0	0	119.6
818	R	37.9	Very low	35.9	Very low	248 Å²	248	139.2 Å²	139.2	94%	0.936	80%	0.797	S	S	*	*				-156.6	98	115.8	-110.5	161.5	-173	171.5	3.5	114.7
819	M	35.6	Very low	36.3	Very low	169 Å²	169	139.4 Å²	139.4	83%	0.833	80%	0.804	S	S	*	*			trans	27.3	105.9	149	-71.1	174	149.5	0	0	118.7	N821	M819-N821 PolarHBondContact O-N 3.12Å
820	V	34.2	Very low	36.8	Very low	132 Å²	132	137.8 Å²	137.8	80%	0.8	80%	0.801	S	S	*	*			trans	-79.3	88.7	161.7	-162.1	0	0	0	0	109	V822	V820-V822 VanDerWaalsContact C-N 3.3Å; V820-V822 HydrophobicContact CG1-CG2 3.95Å; V820-V822 PolarHBondContact O-N 2.76Å
821	N	35.5	Very low	37	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	80%	0.804	S	S	*	*			trans	-76.4	83.1	171.6	-86.6	19.9	0	0	0	110.4	M819	M819-N821 PolarHBondContact O-N 3.12Å
822	V	35.9	Very low	37.4	Very low	128 Å²	128	140.4 Å²	140.4	78%	0.776	80%	0.8	S	S	*	*			trans	-78.6	123.6	158.1	-175.4	0	0	0	0	107.5	V820	V820-V822 VanDerWaalsContact C-N 3.3Å; V820-V822 HydrophobicContact CG1-CG2 3.95Å; V820-V822 PolarHBondContact O-N 2.76Å
823	L	35	Very low	37.9	Very low	160 Å²	160	141.2 Å²	141.2	84%	0.838	80%	0.795	S	S	*	*			trans	-136.3	132.5	173.6	-161.6	67.5	0	0	0	107.3
824	P	38.6	Very low	38.5	Very low	109 Å²	109	142.9 Å²	142.9	71%	0.708	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.7	152.2	-159.9	32.1	-36.6	0	0	0	113.9
825	D	39.1	Very low	38.9	Very low	161 Å²	161	141 Å²	141	86%	0.861	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.3	130.4	162.7	-72.8	-51.7	0	0	0	109.7
826	P	51.6	Low	39.5	Very low	122 Å²	122	142.3 Å²	142.3	79%	0.792	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-81.3	155.3	179.8	32.3	-34.7	0	0	0	113.2
827	I	41.3	Very low	39.9	Very low	165 Å²	165	142.7 Å²	142.7	85%	0.846	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-76	158	-172	-65.7	162.3	0	0	0	112.5
828	E	34	Very low	40.6	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-55.8	149.5	177.1	-55.8	172	120.3	0	0	114.6
829	A	42.4	Very low	40.9	Very low	87 Å²	87	140.2 Å²	140.2	72%	0.719	79%	0.785	S	S	*	*			trans	-158.1	150.8	155	0	0	0	0	0	111.7
830	N	43.5	Very low	41.7	Very low	154 Å²	154	134.2 Å²	134.2	82%	0.824	77%	0.767	S	S	*	*			trans	82.5	64.8	169.3	-50.2	-37.5	0	0	0	117.8
831	D	41.5	Very low	42.7	Very low	152 Å²	152	135 Å²	135	81%	0.813	76%	0.759	S	S	*	*			trans	-65	140.6	132.8	-162.2	-7.1	0	0	0	109.3
832	I	42.9	Very low	43.8	Very low	145 Å²	145	134 Å²	134	74%	0.744	75%	0.754	S	S	*	*			trans	-177.2	98.4	157.7	-97.4	151.7	0	0	0	110.3
833	L	42.9	Very low	45.5	Very low	133 Å²	133	133.3 Å²	133.3	70%	0.696	74%	0.742	S	S	*	*			trans	45.4	123.1	134.5	-67.9	130.5	0	0	0	122.2
834	L	46.4	Very low	47.5	Very low	154 Å²	154	131.3 Å²	131.3	81%	0.806	73%	0.729	S	S	*	*			trans	86.6	151.9	132.8	-68.1	172.9	0	0	0	119.6
835	P	43.9	Very low	49.4	Very low	105 Å²	105	133.3 Å²	133.3	68%	0.682	73%	0.726	S	S	*	*			trans	-127.8	161.2	-130.9	41.8	-29.2	0	0	0	115.1
836	N	44.9	Very low	51.4	Low	148 Å²	148	132.3 Å²	132.3	79%	0.791	72%	0.716	S	S	*	*			trans	-160.6	142.2	139.4	-121	-64.2	0	0	0	114.4
837	S	38.9	Very low	52.8	Low	98 Å²	98	132.1 Å²	132.1	69%	0.685	70%	0.703	S	S	*	*			trans	31.9	96.1	141.8	-59.5	0	0	0	0	119.5
838	Q	46.5	Very low	54.9	Low	144 Å²	144	129.5 Å²	129.5	67%	0.673	69%	0.687	S	S	*	*				175.2	106.6	123.8	-86.8	-102.6	-44.2	0	0	109.7	G840	Q838-G840 PolarHBondContact O-N 3.35Å
839	P	44.5	Very low	57.3	Low	145 Å²	145	123.2 Å²	123.2	94%	0.942	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	61.3	-171.9	34.6	-37.5	0	0	0	112.8
840	G	51.8	Low	59.4	Low	43 Å²	43	121.2 Å²	121.2	44%	0.443	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-162.6	-15.3	177.6	0	0	0	0	0	116.1	Q838	Q838-G840 PolarHBondContact O-N 3.35Å
841	K	55.2	Low	61.4	Low	148 Å²	148	116 Å²	116	64%	0.643	63%	0.629	S	S	*	*	S	Bend	trans	-98	-22.2	-177.5	-68.2	-173	178.2	-179.3	0	115.3
842	N	59.9	Low	63.7	Low	126 Å²	126	113 Å²	113	67%	0.674	61%	0.612	S	S	*	*	H	α-helix	trans	-74.1	-40.5	174.8	-76.8	4.4	0	0	0	111.5	E844 K845 E846	N842-E844 PolarHBondContact O-N 3.46Å; N842-K845 PolarHBondContact O-N 2.96Å; N842-K845 VanDerWaalsContact O-N 3.07Å; N842-E846 PolarHBondContact O-N 3.08Å
843	E	71	Confident	65.9	Low	112 Å²	112	112.6 Å²	112.6	52%	0.523	61%	0.607	S	S	.	*	H	α-helix	trans	-58.6	-33.6	-180	-151.1	-156.8	166.4	0	0	112.2	K847	E843-K847 WeakPolarHBondContact O-CB 3.34Å; E843-K847 WeakPolarHBondContact O-CD 3.4Å; E843-K847 WeakPolarHBondContact O-CG 3.47Å; E843-K847 PolarHBondContact O-N 3.45Å; E843-K847 WeakPolarHBondContact OE1-CE 3.43Å; E843-K847 IonicContact OE1-NZ 3.91Å; E843-K847 PolarHBondContact OE1-NZ 3.46Å; E843-K847 IonicContact OE2-NZ 3.82Å; E843-K847 PolarHBondContact OE2-NZ 2.74Å; E843-K847 VanDerWaalsContact OE2-NZ 3.08Å
844	E	76.5	Confident	67.9	Low	119 Å²	119	111.9 Å²	111.9	56%	0.556	60%	0.603	S	S	*	*	H	α-helix	trans	-71.8	-40.8	175.6	-170.2	175	-171.5	0	0	112.5	N842 E846 K847 Q848	N842-E844 PolarHBondContact O-N 3.46Å; E844-E846 VanDerWaalsContact C-N 3.33Å; E844-E846 PolarHBondContact O-N 3.07Å; E844-K847 PolarHBondContact O-N 3.23Å; E844-Q848 VanDerWaalsContact O-CG 3.31Å; E844-Q848 WeakPolarHBondContact O-CG 3.21Å; E844-Q848 PolarHBondContact O-N 2.96Å
845	K	78.8	Confident	69.8	Low	151 Å²	151	110.2 Å²	110.2	66%	0.657	59%	0.593	S	S	*	*	H	α-helix	trans	-63	-40.9	173.5	-74.4	-174.7	173.9	-176.7	0	111.8	N842 Q848 A849	N842-K845 PolarHBondContact O-N 2.96Å; N842-K845 VanDerWaalsContact O-N 3.07Å; K845-Q848 PolarHBondContact O-N 2.87Å; K845-A849 PolarHBondContact O-N 3.42Å
846	E	80.6	Confident	71.9	Confident	139 Å²	139	113.4 Å²	113.4	65%	0.65	59%	0.591	S	S	*	*	H	α-helix	trans	-64.9	-44.7	177.6	-168.2	174.4	178.2	0	0	111.2	N842 E844 Q848 A849 A850	N842-E846 PolarHBondContact O-N 3.08Å; E844-E846 VanDerWaalsContact C-N 3.33Å; E844-E846 PolarHBondContact O-N 3.07Å; E846-Q848 VanDerWaalsContact C-N 3.34Å; E846-Q848 PolarHBondContact O-N 3.38Å; E846-A849 PolarHBondContact O-N 2.8Å; E846-A850 WeakPolarHBondContact O-CB 3.43Å; E846-A850 PolarHBondContact O-N 2.92Å
847	K	82.1	Confident	74	Confident	119 Å²	119	109.5 Å²	109.5	52%	0.517	57%	0.568	S	S	.	*	H	α-helix	trans	-58.9	-40.4	171.5	-74	164	-173.9	168.9	0	112.5	E843 E844 A851	E843-K847 WeakPolarHBondContact O-CB 3.34Å; E843-K847 WeakPolarHBondContact O-CD 3.4Å; E843-K847 WeakPolarHBondContact O-CG 3.47Å; E843-K847 PolarHBondContact O-N 3.45Å; E843-K847 WeakPolarHBondContact OE1-CE 3.43Å; E843-K847 IonicContact OE1-NZ 3.91Å; E843-K847 PolarHBondContact OE1-NZ 3.46Å; E843-K847 IonicContact OE2-NZ 3.82Å; E843-K847 PolarHBondContact OE2-NZ 2.74Å; E843-K847 VanDerWaalsContact OE2-NZ 3.08Å; E844-K847 PolarHBondContact O-N 3.23Å; K847-A851 WeakPolarHBondContact O-CB 3.43Å; K847-A851 PolarHBondContact O-N 2.78Å
848	Q	83.9	Confident	76.3	Confident	109 Å²	109	107.3 Å²	107.3	51%	0.509	56%	0.556	S	S	.	*	H	α-helix	trans	-66.8	-40.7	175.5	-72.4	175.7	17.4	0	0	112.4	E844 K845 E846 A851 L852	E844-Q848 VanDerWaalsContact O-CG 3.31Å; E844-Q848 WeakPolarHBondContact O-CG 3.21Å; E844-Q848 PolarHBondContact O-N 2.96Å; K845-Q848 PolarHBondContact O-N 2.87Å; E846-Q848 VanDerWaalsContact C-N 3.34Å; E846-Q848 PolarHBondContact O-N 3.38Å; Q848-A851 PolarHBondContact O-N 3.5Å; Q848-L852 WeakPolarHBondContact O-CG 3.41Å; Q848-L852 PolarHBondContact O-N 3.06Å
849	A	86.3	Confident	78.4	Confident	57 Å²	57	108.8 Å²	108.8	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-64.3	-46	175.6	0	0	0	0	0	111.9	K845 E846 A851 L852 Q853	K845-A849 PolarHBondContact O-N 3.42Å; E846-A849 PolarHBondContact O-N 2.8Å; A849-A851 PolarHBondContact O-N 3.05Å; A849-L852 PolarHBondContact O-N 3.31Å; A849-Q853 PolarHBondContact O-N 2.92Å
850	A	85.5	Confident	80.6	Confident	44 Å²	44	108.5 Å²	108.5	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-60.5	-42.9	175.1	0	0	0	0	0	111.9	E846 L852 Q853 I854	E846-A850 WeakPolarHBondContact O-CB 3.43Å; E846-A850 PolarHBondContact O-N 2.92Å; A850-L852 PolarHBondContact O-N 3.42Å; A850-Q853 PolarHBondContact O-N 2.68Å; A850-I854 VanDerWaalsContact O-CG1 3.31Å; A850-I854 WeakPolarHBondContact O-CG1 3.31Å; A850-I854 PolarHBondContact O-N 3.43Å
851	A	85.6	Confident	82.3	Confident	45 Å²	45	111.9 Å²	111.9	37%	0.372	54%	0.54	S	S	.	.	H	α-helix	trans	-61	-41.3	175.3	0	0	0	0	0	112.5	K847 Q848 A849 I854 M855	K847-A851 WeakPolarHBondContact O-CB 3.43Å; K847-A851 PolarHBondContact O-N 2.78Å; Q848-A851 PolarHBondContact O-N 3.5Å; A849-A851 PolarHBondContact O-N 3.05Å; A851-I854 PolarHBondContact O-N 3.04Å; A851-M855 WeakPolarHBondContact O-CG 3.47Å; A851-M855 PolarHBondContact O-N 3.29Å
852	L	88.9	Confident	83.8	Confident	88 Å²	88	108.3 Å²	108.3	46%	0.461	53%	0.534	S	S	.	.	H	α-helix	trans	-64.4	-37.9	174.1	-76.1	163.1	0	0	0	112.4	Q848 A849 A850 M855 R856	Q848-L852 WeakPolarHBondContact O-CG 3.41Å; Q848-L852 PolarHBondContact O-N 3.06Å; A849-L852 PolarHBondContact O-N 3.31Å; A850-L852 PolarHBondContact O-N 3.42Å; L852-M855 HydrophobicContact CD2-CE 3.94Å; L852-M855 HydrophobicContact CG-CE 4.4Å; L852-R856 WeakPolarHBondContact O-CG 3.45Å; L852-R856 PolarHBondContact O-N 2.9Å; L852-R856 VanDerWaalsContact O-N 3.08Å
853	Q	89.2	Confident	85.3	Confident	137 Å²	137	107.4 Å²	107.4	64%	0.64	53%	0.526	S	S	*	.	H	α-helix	trans	-66.5	-45	175.2	-173.7	172.7	-3.9	0	0	111.8	A849 A850 M855 R856 E857	A849-Q853 PolarHBondContact O-N 2.92Å; A850-Q853 PolarHBondContact O-N 2.68Å; Q853-M855 VanDerWaalsContact C-N 3.33Å; Q853-M855 PolarHBondContact O-N 2.97Å; Q853-R856 PolarHBondContact O-N 2.84Å; Q853-E857 PolarHBondContact O-N 2.96Å
854	I	86.7	Confident	86.1	Confident	119 Å²	119	109.7 Å²	109.7	61%	0.61	53%	0.529	S	S	*	.	H	α-helix	trans	-59.3	-43	175.5	-68.6	164.1	0	0	0	110.9	A850 A851 R856 E857 A858	A850-I854 VanDerWaalsContact O-CG1 3.31Å; A850-I854 WeakPolarHBondContact O-CG1 3.31Å; A850-I854 PolarHBondContact O-N 3.43Å; A851-I854 PolarHBondContact O-N 3.04Å; I854-R856 PolarHBondContact O-N 3.28Å; I854-E857 PolarHBondContact O-N 2.79Å; I854-A858 WeakPolarHBondContact O-CB 3.29Å; I854-A858 PolarHBondContact O-N 3.04Å
855	M	86.1	Confident	86.6	Confident	118 Å²	118	107.5 Å²	107.5	58%	0.581	53%	0.527	S	S	*	.	H	α-helix	trans	-65.6	-36.1	176.4	-73.5	-170.9	-68.4	0	0	113.3	A851 L852 Q853 R859	A851-M855 WeakPolarHBondContact O-CG 3.47Å; A851-M855 PolarHBondContact O-N 3.29Å; L852-M855 HydrophobicContact CD2-CE 3.94Å; L852-M855 HydrophobicContact CG-CE 4.4Å; Q853-M855 VanDerWaalsContact C-N 3.33Å; Q853-M855 PolarHBondContact O-N 2.97Å; M855-R859 WeakPolarHBondContact O-CB 3.49Å; M855-R859 PolarHBondContact O-N 3.13Å
856	R	87.7	Confident	87	Confident	172 Å²	172	103.9 Å²	103.9	65%	0.649	52%	0.521	S	S	*	.	H	α-helix	trans	-65.9	-43.8	173.1	-73.4	179.5	-176.6	121.6	-7.1	111.7	L852 Q853 I854 R859 R860	L852-R856 WeakPolarHBondContact O-CG 3.45Å; L852-R856 PolarHBondContact O-N 2.9Å; L852-R856 VanDerWaalsContact O-N 3.08Å; Q853-R856 PolarHBondContact O-N 2.84Å; I854-R856 PolarHBondContact O-N 3.28Å; R856-R859 PolarHBondContact O-N 3.46Å; R856-R860 PolarHBondContact O-N 3.16Å
857	E	87.9	Confident	87.5	Confident	66 Å²	66	106.1 Å²	106.1	31%	0.308	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-49.5	177.7	-171.7	59.4	-125.5	0	0	111.3	Q853 I854 R859 R860 Q861	Q853-E857 PolarHBondContact O-N 2.96Å; I854-E857 PolarHBondContact O-N 2.79Å; E857-R859 VanDerWaalsContact C-N 3.29Å; E857-R859 PolarHBondContact O-N 3.46Å; E857-R860 PolarHBondContact O-N 3.17Å; E857-R860 IonicContact OE1-NH1 3.94Å; E857-R860 PolarHBondContact OE1-NH1 3.27Å; E857-R860 IonicContact OE2-CZ 2.65Å; E857-R860 IonicContact OE2-NH1 3.72Å; E857-R860 PolarHBondContact OE2-NH1 3.48Å; E857-R860 IonicContact OE2-NH2 3.08Å; E857-Q861 WeakPolarHBondContact O-CG 3.32Å; E857-Q861 PolarHBondContact O-N 3.24Å; E857-Q861 PolarHBondContact OE1-NE2 2.85Å
858	A	88	Confident	87.8	Confident	53 Å²	53	102.4 Å²	102.4	44%	0.438	52%	0.515	S	S	.	.	H	α-helix	trans	-58.1	-39.4	176.7	0	0	0	0	0	112.3	I854 Q861 S862	I854-A858 WeakPolarHBondContact O-CB 3.29Å; I854-A858 PolarHBondContact O-N 3.04Å; A858-Q861 PolarHBondContact O-N 2.94Å; A858-S862 VanDerWaalsContact O-CB 3.29Å; A858-S862 WeakPolarHBondContact O-CB 3.45Å; A858-S862 PolarHBondContact O-N 2.92Å
859	R	90.1	Very high	88.1	Confident	175 Å²	175	100 Å²	100	66%	0.66	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-41.1	173.8	-172.7	175.4	-176.8	170.6	2.5	112	M855 R856 E857 S862 Q863	M855-R859 WeakPolarHBondContact O-CB 3.49Å; M855-R859 PolarHBondContact O-N 3.13Å; R856-R859 PolarHBondContact O-N 3.46Å; E857-R859 VanDerWaalsContact C-N 3.29Å; E857-R859 PolarHBondContact O-N 3.46Å; R859-S862 PolarHBondContact O-N 2.77Å; R859-Q863 WeakPolarHBondContact O-CG 3.5Å; R859-Q863 PolarHBondContact O-N 3.31Å
860	R	90.7	Very high	88.2	Confident	138 Å²	138	103.1 Å²	103.1	52%	0.521	52%	0.519	S	S	.	.	H	α-helix	trans	-66.8	-41.3	177.7	-153.8	-168.4	-56.9	105.2	-8.6	111.6	R856 E857 Q863 W864	R856-R860 PolarHBondContact O-N 3.16Å; E857-R860 PolarHBondContact O-N 3.17Å; E857-R860 IonicContact OE1-NH1 3.94Å; E857-R860 PolarHBondContact OE1-NH1 3.27Å; E857-R860 IonicContact OE2-CZ 2.65Å; E857-R860 IonicContact OE2-NH1 3.72Å; E857-R860 PolarHBondContact OE2-NH1 3.48Å; E857-R860 IonicContact OE2-NH2 3.08Å; R860-Q863 PolarHBondContact O-N 3.49Å; R860-W864 WeakPolarHBondContact O-CB 3.49Å; R860-W864 PolarHBondContact O-N 3Å
861	Q	87.2	Confident	88.4	Confident	114 Å²	114	106.1 Å²	106.1	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-66.4	-40.2	175.9	-67.9	-179.2	13.9	0	0	112.1	E857 A858 W864 S865	E857-Q861 WeakPolarHBondContact O-CG 3.32Å; E857-Q861 PolarHBondContact O-N 3.24Å; E857-Q861 PolarHBondContact OE1-NE2 2.85Å; A858-Q861 PolarHBondContact O-N 2.94Å; Q861-W864 PolarHBondContact O-N 3.47Å; Q861-S865 VanDerWaalsContact O-CB 3.31Å; Q861-S865 WeakPolarHBondContact O-CB 3.32Å; Q861-S865 PolarHBondContact O-N 3.45Å
862	S	87.8	Confident	88.7	Confident	74 Å²	74	109.6 Å²	109.6	52%	0.517	53%	0.532	S	S	.	.	H	α-helix	trans	-61	-44.8	173	174.6	0	0	0	0	112.1	A858 R859 S865 S866	A858-S862 VanDerWaalsContact O-CB 3.29Å; A858-S862 WeakPolarHBondContact O-CB 3.45Å; A858-S862 PolarHBondContact O-N 2.92Å; R859-S862 PolarHBondContact O-N 2.77Å; S862-S865 PolarHBondContact O-N 3.22Å; S862-S866 WeakPolarHBondContact O-CB 3.45Å; S862-S866 PolarHBondContact O-N 3.16Å
863	Q	90.5	Very high	88.7	Confident	107 Å²	107	108.2 Å²	108.2	50%	0.5	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-39.5	175.8	-75.1	179.3	-33	0	0	112.9	R859 R860 R867	R859-Q863 WeakPolarHBondContact O-CG 3.5Å; R859-Q863 PolarHBondContact O-N 3.31Å; R860-Q863 PolarHBondContact O-N 3.49Å; Q863-R867 WeakPolarHBondContact O-CG 3.27Å; Q863-R867 PolarHBondContact O-N 3.14Å; Q863-R867 VanDerWaalsContact O-N 3.1Å
864	W	88.5	Confident	88.8	Confident	159 Å²	159	105.7 Å²	105.7	60%	0.602	52%	0.523	S	S	*	.	H	α-helix	trans	-65.7	-47.1	176.3	-176.9	84.1	0	0	0	111.6	R860 Q861 S866 R867 A868	R860-W864 WeakPolarHBondContact O-CB 3.49Å; R860-W864 PolarHBondContact O-N 3Å; Q861-W864 PolarHBondContact O-N 3.47Å; W864-S866 PolarHBondContact O-N 3.05Å; W864-R867 PolarHBondContact O-N 2.8Å; W864-A868 PolarHBondContact O-N 3.34Å
865	S	87.3	Confident	89.1	Confident	73 Å²	73	105.7 Å²	105.7	51%	0.51	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-42.4	175.9	-179	0	0	0	0	112.2	Q861 S862 R867 A868 A869	Q861-S865 VanDerWaalsContact O-CB 3.31Å; Q861-S865 WeakPolarHBondContact O-CB 3.32Å; Q861-S865 PolarHBondContact O-N 3.45Å; S862-S865 PolarHBondContact O-N 3.22Å; S865-R867 PolarHBondContact O-N 3.37Å; S865-A868 PolarHBondContact O-N 2.91Å; S865-A869 WeakPolarHBondContact O-CB 3.43Å; S865-A869 PolarHBondContact O-N 3.44Å
866	S	86.9	Confident	89.3	Confident	76 Å²	76	105.8 Å²	105.8	53%	0.531	52%	0.515	S	S	.	.	H	α-helix	trans	-60.5	-42.5	175.2	-168.7	0	0	0	0	112.4	S862 W864 A869 E870	S862-S866 WeakPolarHBondContact O-CB 3.45Å; S862-S866 PolarHBondContact O-N 3.16Å; W864-S866 PolarHBondContact O-N 3.05Å; S866-A869 PolarHBondContact O-N 3.34Å; S866-E870 WeakPolarHBondContact O-CB 3.38Å; S866-E870 PolarHBondContact O-N 3.17Å
867	R	90.7	Very high	89.4	Confident	186 Å²	186	106 Å²	106	70%	0.702	52%	0.516	S	S	*	.	H	α-helix	trans	-69	-41.1	177	-76.6	-179.3	172.7	-178	-2.3	112.4	Q863 W864 S865 A869 E870 E871	Q863-R867 WeakPolarHBondContact O-CG 3.27Å; Q863-R867 PolarHBondContact O-N 3.14Å; Q863-R867 VanDerWaalsContact O-N 3.1Å; W864-R867 PolarHBondContact O-N 2.8Å; S865-R867 PolarHBondContact O-N 3.37Å; R867-A869 VanDerWaalsContact C-N 3.29Å; R867-A869 PolarHBondContact O-N 3.15Å; R867-E870 PolarHBondContact O-N 3.26Å; R867-E871 WeakPolarHBondContact O-CB 3.4Å; R867-E871 PolarHBondContact O-N 3.41Å
868	A	89.5	Confident	89.6	Confident	40 Å²	40	108.3 Å²	108.3	33%	0.331	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-36.6	176.1	0	0	0	0	0	112	W864 S865 K872	W864-A868 PolarHBondContact O-N 3.34Å; S865-A868 PolarHBondContact O-N 2.91Å; A868-K872 VanDerWaalsContact O-CB 3.27Å; A868-K872 WeakPolarHBondContact O-CB 3.36Å; A868-K872 PolarHBondContact O-N 2.79Å
869	A	88.4	Confident	89.7	Confident	60 Å²	60	109.5 Å²	109.5	50%	0.496	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-42	173.5	0	0	0	0	0	112.7	S865 S866 R867 K872 A873	S865-A869 WeakPolarHBondContact O-CB 3.43Å; S865-A869 PolarHBondContact O-N 3.44Å; S866-A869 PolarHBondContact O-N 3.34Å; R867-A869 VanDerWaalsContact C-N 3.29Å; R867-A869 PolarHBondContact O-N 3.15Å; A869-K872 PolarHBondContact O-N 3.46Å; A869-A873 WeakPolarHBondContact O-CB 3.31Å; A869-A873 PolarHBondContact O-N 2.91Å
870	E	90.2	Very high	89.8	Confident	122 Å²	122	103.4 Å²	103.4	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-47.8	176.6	-175	172.3	-155.7	0	0	111.8	S866 R867 K872 A873 I874	S866-E870 WeakPolarHBondContact O-CB 3.38Å; S866-E870 PolarHBondContact O-N 3.17Å; R867-E870 PolarHBondContact O-N 3.26Å; E870-K872 VanDerWaalsContact C-N 3.32Å; E870-K872 PolarHBondContact O-N 2.9Å; E870-A873 PolarHBondContact O-N 2.72Å; E870-A873 VanDerWaalsContact O-N 3.14Å; E870-I874 HydrophobicContact CG-CD1 4.4Å; E870-I874 WeakPolarHBondContact O-CG1 3.42Å; E870-I874 PolarHBondContact O-N 2.84Å
871	E	89.5	Confident	89.8	Confident	106 Å²	106	99.5 Å²	99.5	50%	0.495	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-36.9	176.5	-162	-155.2	117.7	0	0	111.9	R867 I874 R875	R867-E871 WeakPolarHBondContact O-CB 3.4Å; R867-E871 PolarHBondContact O-N 3.41Å; E871-I874 PolarHBondContact O-N 3.11Å; E871-R875 PolarHBondContact O-N 3.33Å; E871-R875 IonicContact OE1-CZ 3.84Å; E871-R875 IonicContact OE1-NE 3.53Å; E871-R875 PolarHBondContact OE1-NE 3.18Å; E871-R875 IonicContact OE1-NH2 2.69Å; E871-R875 PolarHBondContact OE1-NH2 2.72Å
872	K	90.9	Very high	90.1	Very high	119 Å²	119	100 Å²	100	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-46.1	171.7	-173.5	-166.9	170.1	-161.3	0	111.3	A868 A869 E870 I874 R875 E876	A868-K872 VanDerWaalsContact O-CB 3.27Å; A868-K872 WeakPolarHBondContact O-CB 3.36Å; A868-K872 PolarHBondContact O-N 2.79Å; A869-K872 PolarHBondContact O-N 3.46Å; E870-K872 VanDerWaalsContact C-N 3.32Å; E870-K872 PolarHBondContact O-N 2.9Å; K872-I874 VanDerWaalsContact C-N 3.29Å; K872-I874 PolarHBondContact O-N 3.04Å; K872-R875 PolarHBondContact O-N 3.37Å; K872-E876 WeakPolarHBondContact O-CB 3.46Å; K872-E876 PolarHBondContact O-N 2.69Å
873	A	90.1	Very high	90.3	Very high	58 Å²	58	103 Å²	103	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-64.6	-33	179.6	0	0	0	0	0	112.7	A869 E870 R877	A869-A873 WeakPolarHBondContact O-CB 3.31Å; A869-A873 PolarHBondContact O-N 2.91Å; E870-A873 PolarHBondContact O-N 2.72Å; E870-A873 VanDerWaalsContact O-N 3.14Å; A873-R877 WeakPolarHBondContact O-CB 3.18Å; A873-R877 PolarHBondContact O-N 3.34Å; A873-R877 VanDerWaalsContact O-N 3.07Å
874	I	91.1	Very high	90.4	Very high	85 Å²	85	105.2 Å²	105.2	44%	0.436	50%	0.5	S	S	.	.	H	α-helix	trans	-64	-52.6	171.4	-68.2	165.1	0	0	0	110.2	E870 E871 K872 E876 R877 E878	E870-I874 HydrophobicContact CG-CD1 4.4Å; E870-I874 WeakPolarHBondContact O-CG1 3.42Å; E870-I874 PolarHBondContact O-N 2.84Å; E871-I874 PolarHBondContact O-N 3.11Å; K872-I874 VanDerWaalsContact C-N 3.29Å; K872-I874 PolarHBondContact O-N 3.04Å; I874-E876 VanDerWaalsContact C-N 3.31Å; I874-E876 PolarHBondContact O-N 3.29Å; I874-R877 WeakPolarHBondContact O-CB 3.48Å; I874-R877 PolarHBondContact O-N 3.15Å; I874-R877 VanDerWaalsContact O-N 3.11Å; I874-E878 HydrophobicContact CG2-CG 4.46Å; I874-E878 WeakPolarHBondContact O-CG 3.17Å; I874-E878 PolarHBondContact O-N 3.06Å
875	R	92.1	Very high	90.7	Very high	119 Å²	119	103.6 Å²	103.6	45%	0.449	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-36.5	179	-73.3	-173.1	-91.8	95.4	-7.7	113.2	E871 K872 R877 E878 E879	E871-R875 PolarHBondContact O-N 3.33Å; E871-R875 IonicContact OE1-CZ 3.84Å; E871-R875 IonicContact OE1-NE 3.53Å; E871-R875 PolarHBondContact OE1-NE 3.18Å; E871-R875 IonicContact OE1-NH2 2.69Å; E871-R875 PolarHBondContact OE1-NH2 2.72Å; K872-R875 PolarHBondContact O-N 3.37Å; R875-R877 VanDerWaalsContact C-N 3.35Å; R875-E878 PolarHBondContact O-N 3.02Å; R875-E879 WeakPolarHBondContact O-CB 3.43Å; R875-E879 PolarHBondContact O-N 3.13Å
876	E	89.4	Confident	90.9	Very high	120 Å²	120	105.4 Å²	105.4	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-66.9	-35.6	175.8	-169.4	166.2	165.7	0	0	111.8	K872 I874 A880	K872-E876 WeakPolarHBondContact O-CB 3.46Å; K872-E876 PolarHBondContact O-N 2.69Å; I874-E876 VanDerWaalsContact C-N 3.31Å; I874-E876 PolarHBondContact O-N 3.29Å; E876-A880 WeakPolarHBondContact O-CB 3.45Å; E876-A880 PolarHBondContact O-N 3Å; E876-A880 VanDerWaalsContact O-N 3.09Å
877	R	91	Very high	91.1	Very high	177 Å²	177	108 Å²	108	67%	0.668	50%	0.503	S	S	*	.	H	α-helix	trans	-70.2	-45.9	172.4	179.6	178.7	175.3	171.2	0.2	112.6	A873 I874 R875 E879 A880 D881	A873-R877 WeakPolarHBondContact O-CB 3.18Å; A873-R877 PolarHBondContact O-N 3.34Å; A873-R877 VanDerWaalsContact O-N 3.07Å; I874-R877 WeakPolarHBondContact O-CB 3.48Å; I874-R877 PolarHBondContact O-N 3.15Å; I874-R877 VanDerWaalsContact O-N 3.11Å; R875-R877 VanDerWaalsContact C-N 3.35Å; R877-E879 VanDerWaalsContact C-N 3.26Å; R877-E879 PolarHBondContact O-N 2.62Å; R877-A880 PolarHBondContact O-N 3.19Å; R877-A880 VanDerWaalsContact O-N 3.13Å; R877-D881 IonicContact NE-OD2 3.51Å; R877-D881 PolarHBondContact O-N 2.78Å
878	E	92.2	Very high	91.2	Very high	114 Å²	114	106.1 Å²	106.1	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-37.5	176.5	-70.6	172.3	167.3	0	0	111.8	I874 R875 D881 R882	I874-E878 HydrophobicContact CG2-CG 4.46Å; I874-E878 WeakPolarHBondContact O-CG 3.17Å; I874-E878 PolarHBondContact O-N 3.06Å; R875-E878 PolarHBondContact O-N 3.02Å; E878-D881 PolarHBondContact O-N 2.69Å; E878-R882 WeakPolarHBondContact O-CB 3.44Å; E878-R882 PolarHBondContact O-N 3.25Å
879	E	90.6	Very high	91.5	Very high	78 Å²	78	110.1 Å²	110.1	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-68.6	-38.7	173.6	-171.7	175.5	162.1	0	0	112.5	R875 R877 R882 R883	R875-E879 WeakPolarHBondContact O-CB 3.43Å; R875-E879 PolarHBondContact O-N 3.13Å; R877-E879 VanDerWaalsContact C-N 3.26Å; R877-E879 PolarHBondContact O-N 2.62Å; E879-R882 PolarHBondContact O-N 3.08Å; E879-R883 WeakPolarHBondContact O-CG 3.18Å; E879-R883 PolarHBondContact O-N 3.28Å; E879-R883 IonicContact OE1-CZ 2.69Å; E879-R883 VanDerWaalsContact OE1-CZ 3.3Å; E879-R883 IonicContact OE1-NE 2.72Å; E879-R883 PolarHBondContact OE1-NE 3.28Å; E879-R883 IonicContact OE1-NH2 2.91Å; E879-R883 PolarHBondContact OE1-NH2 3.31Å
880	A	90.4	Very high	91.6	Very high	46 Å²	46	110.1 Å²	110.1	38%	0.38	52%	0.517	S	S	.	.	H	α-helix	trans	-67.7	-34.2	174.3	0	0	0	0	0	113	E876 R877 R884	E876-A880 WeakPolarHBondContact O-CB 3.45Å; E876-A880 PolarHBondContact O-N 3Å; E876-A880 VanDerWaalsContact O-N 3.09Å; R877-A880 PolarHBondContact O-N 3.19Å; R877-A880 VanDerWaalsContact O-N 3.13Å; A880-R884 WeakPolarHBondContact O-CG 3.49Å; A880-R884 PolarHBondContact O-N 3.27Å
881	D	91.8	Very high	91.8	Very high	57 Å²	57	109.3 Å²	109.3	31%	0.305	52%	0.516	S	S	.	.	H	α-helix	trans	-69.1	-42.1	174	-72.8	-26.2	0	0	0	111	R877 E878 R884 Q885	R877-D881 IonicContact NE-OD2 3.51Å; R877-D881 PolarHBondContact O-N 2.78Å; E878-D881 PolarHBondContact O-N 2.69Å; D881-R884 PolarHBondContact O-N 3.11Å; D881-R884 IonicContact OD1-CZ 2.62Å; D881-R884 IonicContact OD1-NE 2.77Å; D881-R884 IonicContact OD1-NH2 3.9Å; D881-R884 PolarHBondContact OD1-NH2 3.2Å; D881-Q885 PolarHBondContact O-N 2.62Å
882	R	93.9	Very high	92	Very high	125 Å²	125	106.7 Å²	106.7	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-61.1	-46.6	172.2	171.5	170.9	56	-122.3	-6.7	112.7	E878 E879 R884 Q885 E886	E878-R882 WeakPolarHBondContact O-CB 3.44Å; E878-R882 PolarHBondContact O-N 3.25Å; E879-R882 PolarHBondContact O-N 3.08Å; R882-R884 VanDerWaalsContact C-N 3.28Å; R882-R884 PolarHBondContact O-N 3.12Å; R882-Q885 WeakPolarHBondContact O-CB 3.45Å; R882-Q885 PolarHBondContact O-N 2.81Å; R882-Q885 VanDerWaalsContact O-N 3.1Å; R882-E886 WeakPolarHBondContact CD-OE1 3.49Å; R882-E886 HydrophobicContact CG-CG 4.41Å; R882-E886 WeakPolarHBondContact CG-OE1 3.35Å; R882-E886 PolarHBondContact O-N 2.95Å
883	R	92	Very high	92.1	Very high	136 Å²	136	103.2 Å²	103.2	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-59.4	-38.6	179.2	-75.6	177.7	-172.1	178.8	1.1	112.3	E879 Q885 E886 E887	E879-R883 WeakPolarHBondContact O-CG 3.18Å; E879-R883 PolarHBondContact O-N 3.28Å; E879-R883 IonicContact OE1-CZ 2.69Å; E879-R883 VanDerWaalsContact OE1-CZ 3.3Å; E879-R883 IonicContact OE1-NE 2.72Å; E879-R883 PolarHBondContact OE1-NE 3.28Å; E879-R883 IonicContact OE1-NH2 2.91Å; E879-R883 PolarHBondContact OE1-NH2 3.31Å; R883-Q885 VanDerWaalsContact C-N 3.34Å; R883-Q885 PolarHBondContact O-N 3.45Å; R883-E886 PolarHBondContact O-N 3.37Å; R883-E887 WeakPolarHBondContact O-CB 3.17Å; R883-E887 WeakPolarHBondContact O-CG 3.33Å; R883-E887 PolarHBondContact O-N 3.4Å
884	R	92.4	Very high	92.2	Very high	154 Å²	154	106.8 Å²	106.8	58%	0.581	50%	0.504	S	S	*	.	H	α-helix	trans	-64.3	-36.1	175.5	-73.9	-170.9	-73.5	179.8	-4	113.1	A880 D881 R882 E888	A880-R884 WeakPolarHBondContact O-CG 3.49Å; A880-R884 PolarHBondContact O-N 3.27Å; D881-R884 PolarHBondContact O-N 3.11Å; D881-R884 IonicContact OD1-CZ 2.62Å; D881-R884 IonicContact OD1-NE 2.77Å; D881-R884 IonicContact OD1-NH2 3.9Å; D881-R884 PolarHBondContact OD1-NH2 3.2Å; R882-R884 VanDerWaalsContact C-N 3.28Å; R882-R884 PolarHBondContact O-N 3.12Å; R884-E888 WeakPolarHBondContact O-CB 3.26Å; R884-E888 PolarHBondContact O-N 3.1Å
885	Q	94.1	Very high	92.3	Very high	124 Å²	124	107.3 Å²	107.3	58%	0.579	50%	0.501	S	S	*	.	H	α-helix	trans	-68.7	-38.3	173	-67.1	176.6	-17.5	0	0	111.9	D881 R882 R883 L889	D881-Q885 PolarHBondContact O-N 2.62Å; R882-Q885 WeakPolarHBondContact O-CB 3.45Å; R882-Q885 PolarHBondContact O-N 2.81Å; R882-Q885 VanDerWaalsContact O-N 3.1Å; R883-Q885 VanDerWaalsContact C-N 3.34Å; R883-Q885 PolarHBondContact O-N 3.45Å; Q885-L889 WeakPolarHBondContact O-CB 3.44Å; Q885-L889 VanDerWaalsContact O-CG 3.26Å; Q885-L889 WeakPolarHBondContact O-CG 3.33Å; Q885-L889 PolarHBondContact O-N 3.36Å
886	E	90.9	Very high	92.3	Very high	112 Å²	112	108.8 Å²	108.8	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-39.4	174.9	-69.6	169	-174.6	0	0	111.8	R882 R883 A890	R882-E886 WeakPolarHBondContact CD-OE1 3.49Å; R882-E886 HydrophobicContact CG-CG 4.41Å; R882-E886 WeakPolarHBondContact CG-OE1 3.35Å; R882-E886 PolarHBondContact O-N 2.95Å; R883-E886 PolarHBondContact O-N 3.37Å; E886-A890 WeakPolarHBondContact O-CB 3.49Å; E886-A890 PolarHBondContact O-N 3.34Å
887	E	92.8	Very high	92.5	Very high	131 Å²	131	110 Å²	110	61%	0.612	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-44.3	173.6	-73.5	167.1	179.3	0	0	112.4	R883 A890 L891	R883-E887 WeakPolarHBondContact O-CB 3.17Å; R883-E887 WeakPolarHBondContact O-CG 3.33Å; R883-E887 PolarHBondContact O-N 3.4Å; E887-A890 PolarHBondContact O-N 3.35Å; E887-L891 PolarHBondContact O-N 3.19Å
888	E	92.9	Very high	92.5	Very high	146 Å²	146	105.7 Å²	105.7	68%	0.682	50%	0.497	S	S	*	.	H	α-helix	trans	-63.3	-43.2	177	-175	172.7	-165.2	0	0	111.9	R884 A890 L891 E892	R884-E888 WeakPolarHBondContact O-CB 3.26Å; R884-E888 PolarHBondContact O-N 3.1Å; E888-A890 VanDerWaalsContact C-N 3.35Å; E888-L891 PolarHBondContact O-N 3.05Å; E888-E892 WeakPolarHBondContact O-CB 3.46Å; E888-E892 PolarHBondContact O-N 2.82Å
889	L	94.1	Very high	92.5	Very high	123 Å²	123	105.8 Å²	105.8	64%	0.644	50%	0.497	S	S	*	.	H	α-helix	trans	-66.6	-33.7	175	-72.4	170.9	0	0	0	112.8	Q885 A893	Q885-L889 WeakPolarHBondContact O-CB 3.44Å; Q885-L889 VanDerWaalsContact O-CG 3.26Å; Q885-L889 WeakPolarHBondContact O-CG 3.33Å; Q885-L889 PolarHBondContact O-N 3.36Å; L889-A893 WeakPolarHBondContact O-CB 3.34Å; L889-A893 PolarHBondContact O-N 3.24Å
890	A	92.1	Very high	92.6	Very high	60 Å²	60	106 Å²	106	50%	0.496	50%	0.499	S	S	.	.	H	α-helix	trans	-66.4	-44.6	174.8	0	0	0	0	0	111.6	E886 E887 E888 A893 E894	E886-A890 WeakPolarHBondContact O-CB 3.49Å; E886-A890 PolarHBondContact O-N 3.34Å; E887-A890 PolarHBondContact O-N 3.35Å; E888-A890 VanDerWaalsContact C-N 3.35Å; A890-A893 PolarHBondContact O-N 2.89Å; A890-E894 PolarHBondContact O-N 3.37Å
891	L	93.5	Very high	92.7	Very high	105 Å²	105	109.4 Å²	109.4	55%	0.55	51%	0.51	S	S	.	.	H	α-helix	trans	-67.9	-36	178.6	-171	149.3	0	0	0	112.2	E887 E888 E894 R895	E887-L891 PolarHBondContact O-N 3.19Å; E888-L891 PolarHBondContact O-N 3.05Å; L891-E894 PolarHBondContact O-N 3.5Å; L891-R895 PolarHBondContact O-N 3.45Å
892	E	93.5	Very high	92.8	Very high	52 Å²	52	112.7 Å²	112.7	24%	0.243	52%	0.518	C	S	.	.	H	α-helix	trans	-61.5	-41.9	169.2	179.1	64.2	-144.2	0	0	112	E888 R895 R896	E888-E892 WeakPolarHBondContact O-CB 3.46Å; E888-E892 PolarHBondContact O-N 2.82Å; E892-R895 IonicContact OE1-NH1 3.58Å; E892-R895 PolarHBondContact OE1-NH1 3.45Å; E892-R895 VanDerWaalsContact OE1-NH1 3.13Å; E892-R895 IonicContact OE2-CZ 3.02Å; E892-R895 IonicContact OE2-NH1 2.6Å; E892-R895 PolarHBondContact OE2-NH1 2.72Å; E892-R895 IonicContact OE2-NH2 3.51Å; E892-R895 PolarHBondContact OE2-NH2 3.34Å; E892-R896 VanDerWaalsContact CD-NH2 3.3Å; E892-R896 VanDerWaalsContact CG-NH2 3.34Å; E892-R896 WeakPolarHBondContact O-CG 3.33Å; E892-R896 PolarHBondContact O-N 3.2Å; E892-R896 IonicContact OE1-CZ 3.16Å; E892-R896 IonicContact OE1-NE 2.77Å; E892-R896 PolarHBondContact OE1-NE 2.92Å; E892-R896 IonicContact OE1-NH2 3.87Å; E892-R896 PolarHBondContact OE1-NH2 3.33Å
893	A	92.6	Very high	92.8	Very high	45 Å²	45	112.1 Å²	112.1	37%	0.372	52%	0.516	S	S	.	.	H	α-helix	trans	-71.4	-31	178	0	0	0	0	0	113.1	L889 A890 K897	L889-A893 WeakPolarHBondContact O-CB 3.34Å; L889-A893 PolarHBondContact O-N 3.24Å; A890-A893 PolarHBondContact O-N 2.89Å; A893-K897 WeakPolarHBondContact O-CG 3.43Å; A893-K897 PolarHBondContact O-N 2.94Å
894	E	92.6	Very high	92.7	Very high	134 Å²	134	108.7 Å²	108.7	63%	0.626	51%	0.507	S	S	*	.	H	α-helix	trans	-67	-49.9	173.3	-173.8	158.3	-128.3	0	0	111.2	A890 L891 R896 K897 E898	A890-E894 PolarHBondContact O-N 3.37Å; L891-E894 PolarHBondContact O-N 3.5Å; E894-R896 PolarHBondContact O-N 2.91Å; E894-K897 WeakPolarHBondContact O-CB 3.47Å; E894-K897 PolarHBondContact O-N 2.67Å; E894-E898 PolarHBondContact O-N 3.01Å
895	R	93.6	Very high	92.7	Very high	96 Å²	96	105.6 Å²	105.6	36%	0.362	50%	0.499	S	S	.	.	H	α-helix	trans	-56.1	-36.6	177	-154.3	-163.3	-41.2	111.8	6.6	113	L891 E892 E898 Q899	L891-R895 PolarHBondContact O-N 3.45Å; E892-R895 IonicContact OE1-NH1 3.58Å; E892-R895 PolarHBondContact OE1-NH1 3.45Å; E892-R895 VanDerWaalsContact OE1-NH1 3.13Å; E892-R895 IonicContact OE2-CZ 3.02Å; E892-R895 IonicContact OE2-NH1 2.6Å; E892-R895 PolarHBondContact OE2-NH1 2.72Å; E892-R895 IonicContact OE2-NH2 3.51Å; E892-R895 PolarHBondContact OE2-NH2 3.34Å; R895-E898 PolarHBondContact O-N 3.02Å; R895-Q899 WeakPolarHBondContact O-CG 3.34Å; R895-Q899 PolarHBondContact O-N 2.71Å
896	R	92	Very high	92.7	Very high	149 Å²	149	106 Å²	106	56%	0.562	50%	0.501	S	S	*	.	H	α-helix	trans	-69	-35.9	176.3	-71.4	176	-167.7	166.5	1.9	113.1	E892 E894 E900	E892-R896 VanDerWaalsContact CD-NH2 3.3Å; E892-R896 VanDerWaalsContact CG-NH2 3.34Å; E892-R896 WeakPolarHBondContact O-CG 3.33Å; E892-R896 PolarHBondContact O-N 3.2Å; E892-R896 IonicContact OE1-CZ 3.16Å; E892-R896 IonicContact OE1-NE 2.77Å; E892-R896 PolarHBondContact OE1-NE 2.92Å; E892-R896 IonicContact OE1-NH2 3.87Å; E892-R896 PolarHBondContact OE1-NH2 3.33Å; E894-R896 PolarHBondContact O-N 2.91Å; R896-E900 PolarHBondContact O-N 3.31Å; R896-E900 VanDerWaalsContact O-N 3.15Å
897	K	93.5	Very high	92.7	Very high	147 Å²	147	106 Å²	106	64%	0.639	50%	0.501	S	S	*	.	H	α-helix	trans	-67.1	-41.2	173.7	-69.6	169.6	-178	173.8	0	111	A893 E894 E900 L901	A893-K897 WeakPolarHBondContact O-CG 3.43Å; A893-K897 PolarHBondContact O-N 2.94Å; E894-K897 WeakPolarHBondContact O-CB 3.47Å; E894-K897 PolarHBondContact O-N 2.67Å; K897-E900 PolarHBondContact O-N 2.92Å; K897-L901 WeakPolarHBondContact O-CB 3.39Å; K897-L901 WeakPolarHBondContact O-CG 3.35Å; K897-L901 PolarHBondContact O-N 3.49Å
898	E	91.4	Very high	92.8	Very high	85 Å²	85	104.9 Å²	104.9	40%	0.397	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-43.9	176.7	-160.3	-151	136.1	0	0	111.6	E894 R895 E900 L901 R902	E894-E898 PolarHBondContact O-N 3.01Å; R895-E898 PolarHBondContact O-N 3.02Å; E898-E900 PolarHBondContact O-N 3.43Å; E898-L901 PolarHBondContact O-N 2.96Å; E898-R902 WeakPolarHBondContact O-CG 3.28Å; E898-R902 PolarHBondContact O-N 2.79Å; E898-R902 IonicContact OE1-CZ 2.74Å; E898-R902 IonicContact OE1-NE 2.64Å; E898-R902 PolarHBondContact OE1-NE 3.23Å; E898-R902 IonicContact OE1-NH2 3.32Å; E898-R902 PolarHBondContact OE1-NH2 2.67Å
899	Q	92.2	Very high	92.8	Very high	116 Å²	116	106 Å²	106	54%	0.542	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-43.3	175.4	-75.3	175	-17.8	0	0	112.9	R895 R902 R903	R895-Q899 WeakPolarHBondContact O-CG 3.34Å; R895-Q899 PolarHBondContact O-N 2.71Å; Q899-R902 PolarHBondContact O-N 3.15Å; Q899-R903 PolarHBondContact O-N 3.09Å
900	E	91.8	Very high	92.8	Very high	83 Å²	83	105.5 Å²	105.5	39%	0.388	49%	0.489	S	S	.	.	H	α-helix	trans	-70.7	-33.8	176.8	-176	57.7	-160	0	0	112.3	R896 K897 E898 R903 I904	R896-E900 PolarHBondContact O-N 3.31Å; R896-E900 VanDerWaalsContact O-N 3.15Å; K897-E900 PolarHBondContact O-N 2.92Å; E898-E900 PolarHBondContact O-N 3.43Å; E900-R903 VanDerWaalsContact CD-NE 3.3Å; E900-R903 PolarHBondContact O-N 3.46Å; E900-R903 IonicContact OE1-CZ 2.63Å; E900-R903 VanDerWaalsContact OE1-CZ 3.27Å; E900-R903 IonicContact OE1-NE 3.14Å; E900-R903 PolarHBondContact OE1-NE 3.45Å; E900-R903 IonicContact OE1-NH2 3.46Å; E900-R903 PolarHBondContact OE1-NH2 3.34Å; E900-R903 WeakPolarHBondContact OE2-CD 3.47Å; E900-R903 IonicContact OE2-CZ 3.49Å; E900-R903 IonicContact OE2-NE 3.85Å; E900-R903 PolarHBondContact OE2-NE 3.17Å; E900-I904 HydrophobicContact CG-CD1 3.99Å; E900-I904 WeakPolarHBondContact O-CB 3.45Å; E900-I904 VanDerWaalsContact O-CG1 3.28Å; E900-I904 WeakPolarHBondContact O-CG1 3.47Å; E900-I904 PolarHBondContact O-N 2.94Å
901	L	93.1	Very high	92.9	Very high	117 Å²	117	108.4 Å²	108.4	61%	0.613	50%	0.496	S	S	*	.	H	α-helix	trans	-62.4	-46.3	171.8	-78.2	167.7	0	0	0	111.8	K897 E898 R903 I904 E905	K897-L901 WeakPolarHBondContact O-CB 3.39Å; K897-L901 WeakPolarHBondContact O-CG 3.35Å; K897-L901 PolarHBondContact O-N 3.49Å; E898-L901 PolarHBondContact O-N 2.96Å; L901-R903 VanDerWaalsContact C-N 3.33Å; L901-R903 PolarHBondContact O-N 3.3Å; L901-I904 PolarHBondContact O-N 3.28Å; L901-E905 PolarHBondContact O-N 2.71Å
902	R	93.2	Very high	92.7	Very high	127 Å²	127	107 Å²	107	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-57.7	-45.3	173.5	-70.4	175.5	-175.2	-106.6	2.9	110.8	E898 Q899 I904 E905 E906	E898-R902 WeakPolarHBondContact O-CG 3.28Å; E898-R902 PolarHBondContact O-N 2.79Å; E898-R902 IonicContact OE1-CZ 2.74Å; E898-R902 IonicContact OE1-NE 2.64Å; E898-R902 PolarHBondContact OE1-NE 3.23Å; E898-R902 IonicContact OE1-NH2 3.32Å; E898-R902 PolarHBondContact OE1-NH2 2.67Å; Q899-R902 PolarHBondContact O-N 3.15Å; R902-I904 PolarHBondContact O-N 3.02Å; R902-E905 PolarHBondContact O-N 3.02Å; R902-E906 WeakPolarHBondContact O-CG 3.49Å; R902-E906 PolarHBondContact O-N 3.47Å
903	R	93.8	Very high	92.6	Very high	112 Å²	112	107.2 Å²	107.2	42%	0.423	49%	0.493	S	S	.	.	H	α-helix	trans	-59.9	-44.1	177.2	-162.1	-162.4	69	66.6	5.4	112.8	Q899 E900 L901 E907	Q899-R903 PolarHBondContact O-N 3.09Å; E900-R903 VanDerWaalsContact CD-NE 3.3Å; E900-R903 PolarHBondContact O-N 3.46Å; E900-R903 IonicContact OE1-CZ 2.63Å; E900-R903 VanDerWaalsContact OE1-CZ 3.27Å; E900-R903 IonicContact OE1-NE 3.14Å; E900-R903 PolarHBondContact OE1-NE 3.45Å; E900-R903 IonicContact OE1-NH2 3.46Å; E900-R903 PolarHBondContact OE1-NH2 3.34Å; E900-R903 WeakPolarHBondContact OE2-CD 3.47Å; E900-R903 IonicContact OE2-CZ 3.49Å; E900-R903 IonicContact OE2-NE 3.85Å; E900-R903 PolarHBondContact OE2-NE 3.17Å; L901-R903 VanDerWaalsContact C-N 3.33Å; L901-R903 PolarHBondContact O-N 3.3Å; R903-E907 IonicContact CZ-OE2 3.94Å; R903-E907 IonicContact NH1-OE2 2.74Å; R903-E907 PolarHBondContact NH1-OE2 3.02Å; R903-E907 IonicContact NH2-OE2 3.47Å; R903-E907 PolarHBondContact O-N 3.08Å; R903-E907 VanDerWaalsContact O-N 3.08Å
904	I	91.7	Very high	92.6	Very high	64 Å²	64	107.4 Å²	107.4	33%	0.328	49%	0.494	S	S	.	.	H	α-helix	trans	-65.7	-38.1	178.5	-72.8	166.6	0	0	0	111.3	E900 L901 R902 E907 K908	E900-I904 HydrophobicContact CG-CD1 3.99Å; E900-I904 WeakPolarHBondContact O-CB 3.45Å; E900-I904 VanDerWaalsContact O-CG1 3.28Å; E900-I904 WeakPolarHBondContact O-CG1 3.47Å; E900-I904 PolarHBondContact O-N 2.94Å; L901-I904 PolarHBondContact O-N 3.28Å; R902-I904 PolarHBondContact O-N 3.02Å; I904-E907 PolarHBondContact O-N 3.14Å; I904-K908 WeakPolarHBondContact O-CG 3.46Å; I904-K908 PolarHBondContact O-N 2.99Å
905	E	91.6	Very high	92.6	Very high	90 Å²	90	109.3 Å²	109.3	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-73.8	-35.9	179.6	-159.7	55.2	-122.2	0	0	112.6	L901 R902 E907 K908 R909	L901-E905 PolarHBondContact O-N 2.71Å; R902-E905 PolarHBondContact O-N 3.02Å; E905-E907 VanDerWaalsContact C-N 3.31Å; E905-E907 PolarHBondContact O-N 3.1Å; E905-K908 PolarHBondContact O-N 3.44Å; E905-K908 IonicContact OE1-NZ 3.3Å; E905-K908 WeakPolarHBondContact OE2-CE 3.44Å; E905-K908 IonicContact OE2-NZ 2.69Å; E905-K908 PolarHBondContact OE2-NZ 3.34Å; E905-R909 WeakPolarHBondContact O-CB 3.29Å; E905-R909 PolarHBondContact O-N 2.97Å
906	E	93	Very high	92.5	Very high	132 Å²	132	110.9 Å²	110.9	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-59.9	-41.3	168.5	-72.4	-177.6	168.7	0	0	111.8	R902 R909 L910	R902-E906 WeakPolarHBondContact O-CG 3.49Å; R902-E906 PolarHBondContact O-N 3.47Å; E906-R909 PolarHBondContact O-N 2.65Å; E906-L910 WeakPolarHBondContact O-CG 3.46Å; E906-L910 PolarHBondContact O-N 3.29Å
907	E	92.7	Very high	92.4	Very high	113 Å²	113	111 Å²	111	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-44.8	176.7	-163.9	178.1	150	0	0	112	R903 I904 E905 L910 L911	R903-E907 IonicContact CZ-OE2 3.94Å; R903-E907 IonicContact NH1-OE2 2.74Å; R903-E907 PolarHBondContact NH1-OE2 3.02Å; R903-E907 IonicContact NH2-OE2 3.47Å; R903-E907 PolarHBondContact O-N 3.08Å; R903-E907 VanDerWaalsContact O-N 3.08Å; I904-E907 PolarHBondContact O-N 3.14Å; E905-E907 VanDerWaalsContact C-N 3.31Å; E905-E907 PolarHBondContact O-N 3.1Å; E907-L910 PolarHBondContact O-N 3.14Å; E907-L911 PolarHBondContact O-N 3.43Å; E907-L911 VanDerWaalsContact O-N 3.07Å
908	K	94.2	Very high	92.2	Very high	107 Å²	107	107.4 Å²	107.4	47%	0.465	49%	0.493	S	S	.	.	H	α-helix	trans	-60	-45.7	172.3	-71	-176	-149.3	153.7	0	112	I904 E905 L910 L911 V912	I904-K908 WeakPolarHBondContact O-CG 3.46Å; I904-K908 PolarHBondContact O-N 2.99Å; E905-K908 PolarHBondContact O-N 3.44Å; E905-K908 IonicContact OE1-NZ 3.3Å; E905-K908 WeakPolarHBondContact OE2-CE 3.44Å; E905-K908 IonicContact OE2-NZ 2.69Å; E905-K908 PolarHBondContact OE2-NZ 3.34Å; K908-L910 VanDerWaalsContact C-N 3.35Å; K908-L910 PolarHBondContact O-N 2.87Å; K908-L911 WeakPolarHBondContact O-CB 3.37Å; K908-L911 PolarHBondContact O-N 3.36Å; K908-V912 WeakPolarHBondContact O-CG2 3.26Å; K908-V912 PolarHBondContact O-N 3.46Å
909	R	93	Very high	92	Very high	170 Å²	170	106.6 Å²	106.6	64%	0.642	49%	0.491	S	S	*	.	H	α-helix	trans	-59.4	-45.8	179.7	177.3	179.8	167.4	174	-2.7	111.3	E905 E906 L911 V912 E913	E905-R909 WeakPolarHBondContact O-CB 3.29Å; E905-R909 PolarHBondContact O-N 2.97Å; E906-R909 PolarHBondContact O-N 2.65Å; R909-L911 VanDerWaalsContact C-N 3.33Å; R909-L911 PolarHBondContact O-N 3.46Å; R909-V912 PolarHBondContact O-N 3.43Å; R909-E913 IonicContact NE-OE1 2.64Å; R909-E913 PolarHBondContact NE-OE1 2.92Å; R909-E913 IonicContact NH2-OE1 3.41Å; R909-E913 PolarHBondContact O-N 3.16Å
910	L	94.2	Very high	91.7	Very high	112 Å²	112	105.3 Å²	105.3	59%	0.586	49%	0.488	S	S	*	.	H	α-helix	trans	-60.9	-41	175.8	-72.9	171.8	0	0	0	111.9	E906 E907 K908 E913 A914	E906-L910 WeakPolarHBondContact O-CG 3.46Å; E906-L910 PolarHBondContact O-N 3.29Å; E907-L910 PolarHBondContact O-N 3.14Å; K908-L910 VanDerWaalsContact C-N 3.35Å; K908-L910 PolarHBondContact O-N 2.87Å; L910-E913 PolarHBondContact O-N 3.12Å; L910-A914 WeakPolarHBondContact O-CB 3.35Å; L910-A914 PolarHBondContact O-N 3.18Å
911	L	92.9	Very high	91.5	Very high	120 Å²	120	104 Å²	104	63%	0.628	49%	0.49	S	S	*	.	H	α-helix	trans	-64.4	-40.1	176.1	-174.8	64.3	0	0	0	112.5	E907 K908 R909 A914 R915	E907-L911 PolarHBondContact O-N 3.43Å; E907-L911 VanDerWaalsContact O-N 3.07Å; K908-L911 WeakPolarHBondContact O-CB 3.37Å; K908-L911 PolarHBondContact O-N 3.36Å; R909-L911 VanDerWaalsContact C-N 3.33Å; R909-L911 PolarHBondContact O-N 3.46Å; L911-A914 PolarHBondContact O-N 3.39Å; L911-R915 PolarHBondContact O-N 3.07Å
912	V	91	Very high	91.1	Very high	77 Å²	77	103.8 Å²	103.8	47%	0.467	49%	0.485	S	S	.	.	H	α-helix	trans	-66.1	-41.4	175	170.1	0	0	0	0	111.4	K908 R909 K916	K908-V912 WeakPolarHBondContact O-CG2 3.26Å; K908-V912 PolarHBondContact O-N 3.46Å; R909-V912 PolarHBondContact O-N 3.43Å; V912-K916 HydrophobicContact CG1-CD 4.25Å; V912-K916 WeakPolarHBondContact O-CG 3.47Å; V912-K916 PolarHBondContact O-N 2.89Å
913	E	91.2	Very high	90.4	Very high	56 Å²	56	106.6 Å²	106.6	26%	0.262	50%	0.495	S	S	.	.	H	α-helix	trans	-66.6	-36.7	173.5	-68.6	-171.5	-162.8	0	0	112.4	R909 L910 K916 R917	R909-E913 IonicContact NE-OE1 2.64Å; R909-E913 PolarHBondContact NE-OE1 2.92Å; R909-E913 IonicContact NH2-OE1 3.41Å; R909-E913 PolarHBondContact O-N 3.16Å; L910-E913 PolarHBondContact O-N 3.12Å; E913-K916 PolarHBondContact O-N 3.44Å; E913-R917 VanDerWaalsContact CB-NH1 3.28Å; E913-R917 WeakPolarHBondContact O-CG 3.44Å; E913-R917 PolarHBondContact O-N 3.08Å; E913-R917 IonicContact OE2-CZ 2.65Å; E913-R917 IonicContact OE2-NH1 2.66Å; E913-R917 PolarHBondContact OE2-NH1 3.04Å; E913-R917 IonicContact OE2-NH2 3.96Å; E913-R917 PolarHBondContact OE2-NH2 3.36Å
914	A	91.7	Very high	89.8	Confident	48 Å²	48	109.5 Å²	109.5	40%	0.397	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-46.6	175.2	0	0	0	0	0	111.7	L910 L911 K916 R917 D918	L910-A914 WeakPolarHBondContact O-CB 3.35Å; L910-A914 PolarHBondContact O-N 3.18Å; L911-A914 PolarHBondContact O-N 3.39Å; A914-K916 PolarHBondContact O-N 3.08Å; A914-R917 PolarHBondContact O-N 3.39Å; A914-R917 VanDerWaalsContact O-N 3.15Å; A914-D918 PolarHBondContact O-N 3.23Å
915	R	91.8	Very high	89.3	Confident	175 Å²	175	110 Å²	110	66%	0.66	53%	0.525	S	S	*	.	H	α-helix	trans	-59.7	-43.7	174.1	-172.9	179	-68.9	-175.3	-1.1	111.8	L911 R917 D918 D919	L911-R915 PolarHBondContact O-N 3.07Å; R915-R917 VanDerWaalsContact C-N 3.29Å; R915-R917 PolarHBondContact O-N 3.27Å; R915-D918 PolarHBondContact O-N 2.94Å; R915-D919 PolarHBondContact O-N 3.28Å
916	K	92.4	Very high	88.2	Confident	128 Å²	128	112.9 Å²	112.9	56%	0.557	54%	0.54	S	S	*	.	H	α-helix	trans	-59.7	-36.9	175.3	-73.6	170	-179.6	174	0	112.6	V912 E913 A914 I920	V912-K916 HydrophobicContact CG1-CD 4.25Å; V912-K916 WeakPolarHBondContact O-CG 3.47Å; V912-K916 PolarHBondContact O-N 2.89Å; E913-K916 PolarHBondContact O-N 3.44Å; A914-K916 PolarHBondContact O-N 3.08Å; K916-I920 WeakPolarHBondContact O-CD1 3.49Å; K916-I920 WeakPolarHBondContact O-CG1 3.45Å; K916-I920 PolarHBondContact O-N 2.99Å
917	R	89.6	Confident	86.4	Confident	151 Å²	151	114.7 Å²	114.7	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-68	-42.1	175.7	-71.4	172.8	-175.1	106.9	10.9	111.9	E913 A914 R915 I920 A921	E913-R917 VanDerWaalsContact CB-NH1 3.28Å; E913-R917 WeakPolarHBondContact O-CG 3.44Å; E913-R917 PolarHBondContact O-N 3.08Å; E913-R917 IonicContact OE2-CZ 2.65Å; E913-R917 IonicContact OE2-NH1 2.66Å; E913-R917 PolarHBondContact OE2-NH1 3.04Å; E913-R917 IonicContact OE2-NH2 3.96Å; E913-R917 PolarHBondContact OE2-NH2 3.36Å; A914-R917 PolarHBondContact O-N 3.39Å; A914-R917 VanDerWaalsContact O-N 3.15Å; R915-R917 VanDerWaalsContact C-N 3.29Å; R915-R917 PolarHBondContact O-N 3.27Å; R917-I920 PolarHBondContact O-N 3.46Å; R917-A921 PolarHBondContact O-N 3.07Å
918	D	90.2	Very high	84.6	Confident	72 Å²	72	112 Å²	112	39%	0.385	56%	0.555	S	S	.	*	H	α-helix	trans	-65.2	-45.2	176.4	178.3	42.6	0	0	0	112.5	A914 R915 I920 A921 K922	A914-D918 PolarHBondContact O-N 3.23Å; R915-D918 PolarHBondContact O-N 2.94Å; D918-I920 VanDerWaalsContact C-N 3.28Å; D918-I920 PolarHBondContact O-N 2.86Å; D918-A921 WeakPolarHBondContact O-CB 3.38Å; D918-A921 PolarHBondContact O-N 3.08Å; D918-A921 VanDerWaalsContact O-N 3.09Å; D918-K922 WeakPolarHBondContact O-CG 3.46Å; D918-K922 PolarHBondContact O-N 2.86Å; D918-K922 WeakPolarHBondContact OD1-CE 3.33Å; D918-K922 IonicContact OD1-NZ 3.99Å; D918-K922 PolarHBondContact OD1-NZ 3.15Å; D918-K922 WeakPolarHBondContact OD2-CE 3.36Å; D918-K922 IonicContact OD2-NZ 2.69Å; D918-K922 PolarHBondContact OD2-NZ 3.45Å
919	D	86.9	Confident	82.5	Confident	68 Å²	68	111.6 Å²	111.6	36%	0.364	57%	0.572	S	S	.	*	H	α-helix	trans	-59.8	-37.6	174.8	-72.4	-28.9	0	0	0	112.5	R915 R923	R915-D919 PolarHBondContact O-N 3.28Å; D919-R923 WeakPolarHBondContact O-CG 3.42Å; D919-R923 PolarHBondContact O-N 3.35Å
920	I	85.8	Confident	80.7	Confident	90 Å²	90	109 Å²	109	46%	0.462	58%	0.577	S	S	.	*	H	α-helix	trans	-69.3	-39.1	175	-70.4	167.1	0	0	0	111.1	K916 R917 D918 K924	K916-I920 WeakPolarHBondContact O-CD1 3.49Å; K916-I920 WeakPolarHBondContact O-CG1 3.45Å; K916-I920 PolarHBondContact O-N 2.99Å; R917-I920 PolarHBondContact O-N 3.46Å; D918-I920 VanDerWaalsContact C-N 3.28Å; D918-I920 PolarHBondContact O-N 2.86Å; I920-K924 HydrophobicContact CG2-CD 4.47Å; I920-K924 WeakPolarHBondContact O-CG 3.27Å; I920-K924 PolarHBondContact O-N 3.49Å; I920-K924 VanDerWaalsContact O-N 3.09Å
921	A	87.6	Confident	78.8	Confident	54 Å²	54	112.2 Å²	112.2	45%	0.446	59%	0.589	S	S	.	*	H	α-helix	trans	-64.2	-45.6	175.2	0	0	0	0	0	111.4	R917 D918 R923 K924 A925	R917-A921 PolarHBondContact O-N 3.07Å; D918-A921 WeakPolarHBondContact O-CB 3.38Å; D918-A921 PolarHBondContact O-N 3.08Å; D918-A921 VanDerWaalsContact O-N 3.09Å; A921-R923 PolarHBondContact O-N 3.46Å; A921-K924 PolarHBondContact O-N 2.61Å; A921-K924 VanDerWaalsContact O-N 3.12Å; A921-A925 PolarHBondContact O-N 3.31Å
922	K	85.1	Confident	76.8	Confident	114 Å²	114	118.2 Å²	118.2	50%	0.496	60%	0.603	S	S	.	*	H	α-helix	trans	-58.5	-47.3	175.6	-75	165.9	174.9	166.6	0	112.2	D918 K924 A925 M926	D918-K922 WeakPolarHBondContact O-CG 3.46Å; D918-K922 PolarHBondContact O-N 2.86Å; D918-K922 WeakPolarHBondContact OD1-CE 3.33Å; D918-K922 IonicContact OD1-NZ 3.99Å; D918-K922 PolarHBondContact OD1-NZ 3.15Å; D918-K922 WeakPolarHBondContact OD2-CE 3.36Å; D918-K922 IonicContact OD2-NZ 2.69Å; D918-K922 PolarHBondContact OD2-NZ 3.45Å; K922-K924 VanDerWaalsContact C-N 3.29Å; K922-K924 PolarHBondContact O-N 3.05Å; K922-A925 PolarHBondContact O-N 2.74Å; K922-A925 VanDerWaalsContact O-N 3.12Å; K922-M926 PolarHBondContact O-N 2.99Å
923	R	78.6	Confident	75.2	Confident	186 Å²	186	120.4 Å²	120.4	70%	0.702	61%	0.611	S	S	*	*	H	α-helix	trans	-61.1	-35	174.3	-72.9	-176.6	-163.1	148.2	8.9	113.3	D919 A921	D919-R923 WeakPolarHBondContact O-CG 3.42Å; D919-R923 PolarHBondContact O-N 3.35Å; A921-R923 PolarHBondContact O-N 3.46Å
924	K	81.4	Confident	73.8	Confident	173 Å²	173	122.1 Å²	122.1	75%	0.752	62%	0.622	S	S	*	*	H	α-helix	trans	-72.8	-25.9	175.2	-75.8	-178.7	176	-174.1	0	113.4	I920 A921 K922	I920-K924 HydrophobicContact CG2-CD 4.47Å; I920-K924 WeakPolarHBondContact O-CG 3.27Å; I920-K924 PolarHBondContact O-N 3.49Å; I920-K924 VanDerWaalsContact O-N 3.09Å; A921-K924 PolarHBondContact O-N 2.61Å; A921-K924 VanDerWaalsContact O-N 3.12Å; K922-K924 VanDerWaalsContact C-N 3.29Å; K922-K924 PolarHBondContact O-N 3.05Å
925	A	81.1	Confident	72.7	Confident	75 Å²	75	123.2 Å²	123.2	62%	0.62	63%	0.631	S	S	*	*	H	α-helix	trans	-80.4	-19.1	176.9	0	0	0	0	0	113.5	A921 K922 I927	A921-A925 PolarHBondContact O-N 3.31Å; K922-A925 PolarHBondContact O-N 2.74Å; K922-A925 VanDerWaalsContact O-N 3.12Å; A925-I927 PolarHBondContact O-N 3.32Å
926	M	68	Low	71.5	Confident	149 Å²	149	121.1 Å²	121.1	73%	0.734	63%	0.628	S	S	*	*			trans	-75	86	175.6	-68.9	-169.2	76.4	0	0	111.6	K922 G928	K922-M926 PolarHBondContact O-N 2.99Å; M926-G928 PolarHBondContact O-N 3.35Å
927	I	54.4	Low	70.3	Confident	170 Å²	170	120.9 Å²	120.9	87%	0.872	63%	0.629	S	S	*	*			trans	-74.1	115.9	169	-61.3	175.1	0	0	0	108.6	A925	A925-I927 PolarHBondContact O-N 3.32Å
928	G	56.2	Low	69.1	Low	57 Å²	57	118.3 Å²	118.3	59%	0.588	63%	0.626	S	S	*	*	S	Bend	trans	119.2	102.5	-177.9	0	0	0	0	0	111	M926	M926-G928 PolarHBondContact O-N 3.35Å
929	A	49.2	Very low	68.2	Low	99 Å²	99	119.5 Å²	119.5	82%	0.818	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-72.8	124.3	168.8	0	0	0	0	0	108.4	E931	A929-E931 PolarHBondContact O-N 2.64Å
930	P	55.4	Low	67.5	Low	116 Å²	116	118.9 Å²	118.9	75%	0.753	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-62.4	137.5	169	27.3	-32.9	0	0	0	108.9
931	E	53.6	Low	66.9	Low	179 Å²	179	121 Å²	121	84%	0.836	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.1	150	176.1	-168.9	157.2	-148.7	0	0	110.3	A929 I933	A929-E931 PolarHBondContact O-N 2.64Å; E931-I933 PolarHBondContact O-N 3.47Å; E931-I933 VanDerWaalsContact C-N 3.27Å
932	R	52	Low	66.2	Low	245 Å²	245	124.7 Å²	124.7	93%	0.925	65%	0.645	S	S	*	*			trans	-73.8	82.3	-177.7	-76.2	-170.3	177.2	-167.9	0.9	110.4	N934	R932-N934 VanDerWaalsContact O-N 3.11Å; R932-N934 PolarHBondContact O-N 3.21Å
933	I	57.4	Low	65.6	Low	124 Å²	124	126 Å²	126	64%	0.636	65%	0.653	S	S	*	*			trans	-52.6	119.1	172.6	-56.2	170.4	0	0	0	108.3	E931 A935 L938	E931-I933 PolarHBondContact O-N 3.47Å; E931-I933 VanDerWaalsContact C-N 3.27Å; I933-A935 PolarHBondContact O-N 2.92Å; I933-L938 HydrophobicContact CG2-CD1 3.63Å; I933-L938 HydrophobicContact CG2-CD2 4.46Å; I933-L938 HydrophobicContact CG2-CG 3.73Å
934	N	61	Low	65.3	Low	92 Å²	92	123.7 Å²	123.7	49%	0.492	65%	0.654	S	S	.	*			trans	-75.1	120.9	179.4	-178.4	0.8	0	0	0	108.8	R932 H936 E937	R932-N934 VanDerWaalsContact O-N 3.11Å; R932-N934 PolarHBondContact O-N 3.21Å; N934-H936 PolarHBondContact O-N 3.35Å; N934-H936 VanDerWaalsContact O-N 3.08Å; N934-H936 PolarHBondContact OD1-N 3.37Å; N934-E937 HydrophobicContact CB-CB 4.3Å; N934-E937 VanDerWaalsContact O-CB 3.32Å; N934-E937 WeakPolarHBondContact O-CB 3.36Å; N934-E937 PolarHBondContact O-N 2.99Å
935	A	68.8	Low	64.9	Low	70 Å²	70	119.3 Å²	119.3	58%	0.579	65%	0.646	S	S	*	*	H	α-helix	trans	-58.6	-26.2	-177.5	0	0	0	0	0	113.1	I933 E937 L939	I933-A935 PolarHBondContact O-N 2.92Å; A935-E937 VanDerWaalsContact C-N 3.31Å; A935-L939 PolarHBondContact O-N 3.09Å
936	H	66.7	Low	64.4	Low	131 Å²	131	118.5 Å²	118.5	61%	0.606	63%	0.633	S	S	*	*	H	α-helix	trans	-66.5	-32	174.4	-165	-54.6	0	0	0	112.6	N934 T940	N934-H936 PolarHBondContact O-N 3.35Å; N934-H936 VanDerWaalsContact O-N 3.08Å; N934-H936 PolarHBondContact OD1-N 3.37Å; H936-T940 PolarHBondContact ND1-OG1 2.94Å; H936-T940 WeakPolarHBondContact O-CB 3.43Å; H936-T940 PolarHBondContact O-N 3.31Å; H936-T940 PolarHBondContact O-OG1 3.04Å
937	E	66.5	Low	64.4	Low	124 Å²	124	116 Å²	116	58%	0.579	62%	0.623	S	S	*	*	H	α-helix	trans	-73.8	-49.7	-175.7	-135.1	153.7	-160.2	0	0	110.1	N934 A935 L939 T940 E941	N934-E937 HydrophobicContact CB-CB 4.3Å; N934-E937 VanDerWaalsContact O-CB 3.32Å; N934-E937 WeakPolarHBondContact O-CB 3.36Å; N934-E937 PolarHBondContact O-N 2.99Å; A935-E937 VanDerWaalsContact C-N 3.31Å; E937-L939 VanDerWaalsContact C-N 3.3Å; E937-L939 PolarHBondContact O-N 2.98Å; E937-T940 WeakPolarHBondContact O-CB 3.35Å; E937-T940 PolarHBondContact O-N 3.18Å; E937-E941 PolarHBondContact O-N 3.17Å
938	L	64.7	Low	65.1	Low	96 Å²	96	113.8 Å²	113.8	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-58.7	-37.4	172.6	-75.2	176.3	0	0	0	113.2	I933 F942	I933-L938 HydrophobicContact CG2-CD1 3.63Å; I933-L938 HydrophobicContact CG2-CD2 4.46Å; I933-L938 HydrophobicContact CG2-CG 3.73Å; L938-F942 VanDerWaalsContact O-CB 3.26Å; L938-F942 PolarHBondContact O-N 2.85Å; L938-F942 WeakPolarHBondContact O-CB 3.21Å
939	L	70.9	Confident	65.6	Low	97 Å²	97	114.3 Å²	114.3	51%	0.508	61%	0.606	S	S	.	*	H	α-helix	trans	-64.7	-40.7	173.7	-91.3	161.6	0	0	0	111.7	A935 E937 F942 E943	A935-L939 PolarHBondContact O-N 3.09Å; E937-L939 VanDerWaalsContact C-N 3.3Å; E937-L939 PolarHBondContact O-N 2.98Å; L939-F942 PolarHBondContact O-N 3.33Å; L939-E943 WeakPolarHBondContact O-CB 3.46Å; L939-E943 WeakPolarHBondContact O-CG 3.35Å; L939-E943 PolarHBondContact O-N 3.1Å
940	T	72.6	Confident	66.3	Low	56 Å²	56	113.2 Å²	113.2	34%	0.344	59%	0.591	S	S	.	*	H	α-helix	trans	-69.2	-40.1	179.2	-50.1	0	0	0	0	111.3	H936 E937 N944	H936-T940 PolarHBondContact ND1-OG1 2.94Å; H936-T940 WeakPolarHBondContact O-CB 3.43Å; H936-T940 PolarHBondContact O-N 3.31Å; H936-T940 PolarHBondContact O-OG1 3.04Å; E937-T940 WeakPolarHBondContact O-CB 3.35Å; E937-T940 PolarHBondContact O-N 3.18Å; T940-N944 PolarHBondContact O-N 3.4Å; T940-N944 PolarHBondContact O-ND2 3.22Å
941	E	74.4	Confident	66.8	Low	134 Å²	134	111.4 Å²	111.4	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-65.1	-42	172.9	-69.4	-172.1	145.4	0	0	111.7	E937 N944 S945	E937-E941 PolarHBondContact O-N 3.17Å; E941-N944 PolarHBondContact O-N 3.25Å; E941-S945 WeakPolarHBondContact O-CB 3.22Å; E941-S945 PolarHBondContact O-N 2.91Å; E941-S945 VanDerWaalsContact O-N 3.1Å
942	F	72.3	Confident	67.4	Low	131 Å²	131	108.1 Å²	108.1	58%	0.575	56%	0.563	S	S	*	*	H	α-helix	trans	-62.8	-49.8	177.6	-176.3	-103.4	0	0	0	111.9	L938 L939 N944 S945 V946	L938-F942 VanDerWaalsContact O-CB 3.26Å; L938-F942 PolarHBondContact O-N 2.85Å; L938-F942 WeakPolarHBondContact O-CB 3.21Å; L939-F942 PolarHBondContact O-N 3.33Å; F942-N944 VanDerWaalsContact C-N 3.28Å; F942-N944 PolarHBondContact O-N 2.7Å; F942-S945 WeakPolarHBondContact O-CB 3.42Å; F942-S945 PolarHBondContact O-N 3.31Å; F942-S945 PolarHBondContact O-OG 3.38Å; F942-V946 HydrophobicContact CE1-CG2 4.16Å; F942-V946 HydrophobicContact CE2-CG2 4.41Å; F942-V946 HydrophobicContact CZ-CG2 4.08Å; F942-V946 PolarHBondContact O-N 2.96Å
943	E	71.7	Confident	68.1	Low	141 Å²	141	99 Å²	99	66%	0.659	54%	0.54	S	S	*	.	H	α-helix	trans	-60.3	-35.5	179	-74.4	-179.4	169.1	0	0	112.7	L939 S945	L939-E943 WeakPolarHBondContact O-CB 3.46Å; L939-E943 WeakPolarHBondContact O-CG 3.35Å; L939-E943 PolarHBondContact O-N 3.1Å; E943-S945 VanDerWaalsContact C-N 3.32Å
944	N	73	Confident	68.5	Low	138 Å²	138	97.4 Å²	97.4	74%	0.738	54%	0.538	S	S	*	.	H	α-helix	trans	-77.2	-13.4	174.4	-74.1	-68.1	0	0	0	114.1	T940 E941 F942	T940-N944 PolarHBondContact O-N 3.4Å; T940-N944 PolarHBondContact O-ND2 3.22Å; E941-N944 PolarHBondContact O-N 3.25Å; F942-N944 VanDerWaalsContact C-N 3.28Å; F942-N944 PolarHBondContact O-N 2.7Å
945	S	74	Confident	68.6	Low	82 Å²	82	99.1 Å²	99.1	57%	0.573	54%	0.542	S	S	*	.	H	α-helix	trans	-90.3	-16.3	179.9	76	0	0	0	0	114.4	E941 F942 E943 D947	E941-S945 WeakPolarHBondContact O-CB 3.22Å; E941-S945 PolarHBondContact O-N 2.91Å; E941-S945 VanDerWaalsContact O-N 3.1Å; F942-S945 WeakPolarHBondContact O-CB 3.42Å; F942-S945 PolarHBondContact O-N 3.31Å; F942-S945 PolarHBondContact O-OG 3.38Å; E943-S945 VanDerWaalsContact C-N 3.32Å; S945-D947 PolarHBondContact O-N 3.4Å
946	V	70.3	Confident	68.4	Low	57 Å²	57	98.7 Å²	98.7	35%	0.345	54%	0.538	S	S	.	.			trans	-87.6	103.5	-176.2	179.3	0	0	0	0	110.5	F942 I948 I951	F942-V946 HydrophobicContact CE1-CG2 4.16Å; F942-V946 HydrophobicContact CE2-CG2 4.41Å; F942-V946 HydrophobicContact CZ-CG2 4.08Å; F942-V946 PolarHBondContact O-N 2.96Å; V946-I948 PolarHBondContact O-N 3.43Å; V946-I948 VanDerWaalsContact O-N 3.17Å; V946-I951 HydrophobicContact CG1-CD1 3.83Å; V946-I951 HydrophobicContact CG1-CG1 4.07Å
947	D	68.2	Low	68.3	Low	97 Å²	97	100 Å²	100	52%	0.519	55%	0.547	S	S	.	.			trans	-63.2	115.3	171.2	-170.5	-33.1	0	0	0	110.4	S945 S949 C950	S945-D947 PolarHBondContact O-N 3.4Å; D947-S949 PolarHBondContact O-N 3.12Å; D947-S949 VanDerWaalsContact OD1-CB 3.27Å; D947-S949 WeakPolarHBondContact OD1-CB 3.26Å; D947-S949 PolarHBondContact OD1-N 2.96Å; D947-S949 PolarHBondContact OD1-OG 3.09Å; D947-S949 PolarHBondContact OD2-OG 3.22Å; D947-C950 WeakPolarHBondContact O-CB 3.49Å; D947-C950 PolarHBondContact O-N 3.49Å
948	I	67.5	Low	67.9	Low	124 Å²	124	103.9 Å²	103.9	64%	0.636	56%	0.556	S	S	*	*	H	α-helix	trans	-57.6	-31.1	-178.1	-63.8	170.1	0	0	0	111.5	V946 C950 I951 D952	V946-I948 PolarHBondContact O-N 3.43Å; V946-I948 VanDerWaalsContact O-N 3.17Å; I948-C950 PolarHBondContact O-N 2.96Å; I948-I951 PolarHBondContact O-N 3.12Å; I948-I951 VanDerWaalsContact O-N 3.08Å; I948-I951 WeakPolarHBondContact O-CB 3.41Å; I948-D952 PolarHBondContact O-N 3.35Å
949	S	67.6	Low	67.4	Low	68 Å²	68	107.6 Å²	107.6	48%	0.476	57%	0.57	S	S	.	*	H	α-helix	trans	-64.8	-28	177.5	70.6	0	0	0	0	113.1	D947 A953	D947-S949 PolarHBondContact O-N 3.12Å; D947-S949 VanDerWaalsContact OD1-CB 3.27Å; D947-S949 WeakPolarHBondContact OD1-CB 3.26Å; D947-S949 PolarHBondContact OD1-N 2.96Å; D947-S949 PolarHBondContact OD1-OG 3.09Å; D947-S949 PolarHBondContact OD2-OG 3.22Å; S949-A953 WeakPolarHBondContact O-CB 3.39Å; S949-A953 PolarHBondContact O-N 3.41Å; S949-A953 VanDerWaalsContact O-N 3.08Å
950	C	64.7	Low	66.2	Low	76 Å²	76	115.3 Å²	115.3	51%	0.514	60%	0.6	S	S	.	*	H	α-helix	trans	-71.8	-30.3	174.4	-68.5	0	0	0	0	112	D947 I948 C954	D947-C950 WeakPolarHBondContact O-CB 3.49Å; D947-C950 PolarHBondContact O-N 3.49Å; I948-C950 PolarHBondContact O-N 2.96Å; C950-C954 PolarHBondContact O-N 2.9Å; C950-C954 VanDerWaalsContact O-N 3.12Å; C950-C954 PolarHBondContact O-SG 3.26Å
951	I	65.8	Low	65.9	Low	77 Å²	77	118.3 Å²	118.3	40%	0.395	61%	0.613	S	S	.	*	H	α-helix	trans	-67.2	-49.7	174.9	-57.1	178.3	0	0	0	109.8	V946 I948 A953 C954 F955	V946-I951 HydrophobicContact CG1-CD1 3.83Å; V946-I951 HydrophobicContact CG1-CG1 4.07Å; I948-I951 PolarHBondContact O-N 3.12Å; I948-I951 VanDerWaalsContact O-N 3.08Å; I948-I951 WeakPolarHBondContact O-CB 3.41Å; I951-A953 VanDerWaalsContact C-N 3.31Å; I951-A953 PolarHBondContact O-N 3.02Å; I951-C954 WeakPolarHBondContact O-CB 3.47Å; I951-C954 VanDerWaalsContact O-N 3.08Å; I951-C954 PolarHBondContact O-N 2.9Å; I951-F955 HydrophobicContact CG2-CD2 3.98Å; I951-F955 HydrophobicContact CG2-CE2 4.05Å; I951-F955 WeakPolarHBondContact O-CD2 3.41Å; I951-F955 PolarHBondContact O-N 2.76Å
952	D	65.5	Low	65.4	Low	111 Å²	111	117.5 Å²	117.5	59%	0.594	61%	0.613	S	S	*	*	H	α-helix	trans	-61.7	-38.6	178.5	-80.2	-21.4	0	0	0	112	I948 C954 F955 A956	I948-D952 PolarHBondContact O-N 3.35Å; D952-C954 VanDerWaalsContact C-N 3.33Å; D952-C954 PolarHBondContact O-N 3.08Å; D952-F955 PolarHBondContact O-N 3.11Å; D952-A956 WeakPolarHBondContact O-CB 3.48Å; D952-A956 PolarHBondContact O-N 3.21Å
953	A	67.6	Low	65.1	Low	54 Å²	54	116.7 Å²	116.7	45%	0.446	62%	0.615	S	S	.	*	H	α-helix	trans	-60.1	-40.8	172.8	0	0	0	0	0	112.5	S949 I951 A956 M957	S949-A953 WeakPolarHBondContact O-CB 3.39Å; S949-A953 PolarHBondContact O-N 3.41Å; S949-A953 VanDerWaalsContact O-N 3.08Å; I951-A953 VanDerWaalsContact C-N 3.31Å; I951-A953 PolarHBondContact O-N 3.02Å; A953-A956 PolarHBondContact O-N 2.68Å; A953-M957 VanDerWaalsContact O-CG 3.26Å; A953-M957 VanDerWaalsContact O-N 3.14Å; A953-M957 PolarHBondContact O-N 3.34Å; A953-M957 WeakPolarHBondContact O-CG 3.32Å
954	C	64.2	Low	64.7	Low	89 Å²	89	115.3 Å²	115.3	60%	0.601	61%	0.612	S	S	*	*	H	α-helix	trans	-68.6	-31	176.8	-68.7	0	0	0	0	113.1	C950 I951 D952	C950-C954 PolarHBondContact O-N 2.9Å; C950-C954 VanDerWaalsContact O-N 3.12Å; C950-C954 PolarHBondContact O-SG 3.26Å; I951-C954 WeakPolarHBondContact O-CB 3.47Å; I951-C954 VanDerWaalsContact O-N 3.08Å; I951-C954 PolarHBondContact O-N 2.9Å; D952-C954 VanDerWaalsContact C-N 3.33Å; D952-C954 PolarHBondContact O-N 3.08Å
955	F	63.7	Low	64.2	Low	129 Å²	129	113.9 Å²	113.9	57%	0.566	60%	0.604	S	S	*	*	H	α-helix	trans	-77.2	-37.4	173.1	-87.6	-82	0	0	0	112.9	I951 D952 M957 R958	I951-F955 HydrophobicContact CG2-CD2 3.98Å; I951-F955 HydrophobicContact CG2-CE2 4.05Å; I951-F955 WeakPolarHBondContact O-CD2 3.41Å; I951-F955 PolarHBondContact O-N 2.76Å; D952-F955 PolarHBondContact O-N 3.11Å; F955-M957 VanDerWaalsContact C-N 3.32Å; F955-M957 PolarHBondContact O-N 3.05Å; F955-R958 WeakPolarHBondContact O-CB 3.5Å; F955-R958 PolarHBondContact O-N 3.41Å; F955-R958 VanDerWaalsContact O-N 3.1Å
956	A	64.4	Low	63.5	Low	61 Å²	61	116 Å²	116	50%	0.504	61%	0.606	S	S	.	*	H	α-helix	trans	-61.2	-40	175.2	0	0	0	0	0	112.2	D952 A953 R958 H959	D952-A956 WeakPolarHBondContact O-CB 3.48Å; D952-A956 PolarHBondContact O-N 3.21Å; A953-A956 PolarHBondContact O-N 2.68Å; A956-R958 PolarHBondContact O-N 3.46Å; A956-R958 VanDerWaalsContact O-N 3.14Å; A956-H959 PolarHBondContact O-N 2.81Å
957	M	64.8	Low	63	Low	158 Å²	158	120.2 Å²	120.2	78%	0.778	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-11.7	175	-72.3	-101.6	-72	0	0	114.5	A953 F955	A953-M957 VanDerWaalsContact O-CG 3.26Å; A953-M957 VanDerWaalsContact O-N 3.14Å; A953-M957 PolarHBondContact O-N 3.34Å; A953-M957 WeakPolarHBondContact O-CG 3.32Å; F955-M957 VanDerWaalsContact C-N 3.32Å; F955-M957 PolarHBondContact O-N 3.05Å
958	R	57.7	Low	62.6	Low	205 Å²	205	122 Å²	122	77%	0.774	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	1.7	176.4	-101.9	-179.8	175.5	168	0.3	114.2	F955 A956	F955-R958 WeakPolarHBondContact O-CB 3.5Å; F955-R958 PolarHBondContact O-N 3.41Å; F955-R958 VanDerWaalsContact O-N 3.1Å; A956-R958 PolarHBondContact O-N 3.46Å; A956-R958 VanDerWaalsContact O-N 3.14Å
959	H	54.8	Low	62.2	Low	174 Å²	174	121.8 Å²	121.8	81%	0.806	63%	0.633	S	S	*	*			trans	-112	9.1	-174.6	-117.6	-65.7	0	0	0	114.7	A956	A956-H959 PolarHBondContact O-N 2.81Å
960	F	45.7	Very low	61.7	Low	260 Å²	260	126.7 Å²	126.7	100%	1.14	65%	0.647	S	S	*	*			trans	-117.9	0	168.8	-77.3	-86.9	0	0	0	110.1

Retrieved 960 of 960 residues in 940.9 ms (Link to these results)

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