A0A087Y3G5_POEFO Loading...

Glutathione S-transferase C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y3G5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	25.7	Very low	238 Å²	238	168.9 Å²	168.9	100%	1.172	84%	0.837	S	S	*	*				0	117.3	0	-94	-178.6	169.7	0	0	108.7
2	L	26.2	Very low	25.8	Very low	161 Å²	161	167.3 Å²	167.3	84%	0.843	84%	0.843	S	S	*	*			trans	47.1	100.4	150.8	-64.4	154.4	0	0	0	117.3
3	A	23.8	Very low	25.9	Very low	81 Å²	81	164.2 Å²	164.2	67%	0.669	84%	0.837	S	S	*	*				63.9	118.6	63.8	0	0	0	0	0	116.1
4	L	25.5	Very low	25.8	Very low	161 Å²	161	163.6 Å²	163.6	84%	0.843	84%	0.837	S	S	*	*			trans	78.7	114.4	139.9	-72.4	152.9	0	0	0	120.8
5	C	24.5	Very low	26	Very low	132 Å²	132	160.9 Å²	160.9	89%	0.892	83%	0.831	S	S	*	*			trans	-152.5	92.8	143.2	-138.5	0	0	0	0	108
6	R	26.4	Very low	26	Very low	202 Å²	202	162.1 Å²	162.1	76%	0.762	83%	0.828	S	S	*	*				59.8	132.6	81.9	-110	-175.7	-173.7	-174.7	3.1	116.1
7	R	27.2	Very low	26	Very low	196 Å²	196	160.8 Å²	160.8	74%	0.74	82%	0.823	S	S	*	*			trans	81.3	149.3	152.8	-67.2	174.4	174.8	-173.6	-0.5	117.5
8	R	26.1	Very low	26.5	Very low	227 Å²	227	158.2 Å²	158.2	86%	0.857	82%	0.819	S	S	*	*			cis	-164.9	150.5	-20.7	-117.4	176.8	178.7	-173.3	-2.1	104.9
9	R	24.3	Very low	26.4	Very low	245 Å²	245	155.6 Å²	155.6	93%	0.925	81%	0.814	S	S	*	*			trans	-80.6	148.3	174.3	-72.5	175.7	170.2	175.2	-4.4	112.3
10	S	23.6	Very low	26.4	Very low	107 Å²	107	155.1 Å²	155.1	75%	0.748	82%	0.818	S	S	*	*			trans	-161.6	98.3	144.9	48.5	0	0	0	0	106.5
11	S	24.4	Very low	26.3	Very low	108 Å²	108	153.5 Å²	153.5	76%	0.755	81%	0.814	S	S	*	*				69.6	98.8	96.3	66	0	0	0	0	114.5
12	V	26.5	Very low	26	Very low	150 Å²	150	147.4 Å²	147.4	91%	0.909	80%	0.795	S	S	*	*			trans	-143.9	133.6	149.1	-176.9	0	0	0	0	109
13	V	27.3	Very low	26	Very low	126 Å²	126	146.2 Å²	146.2	76%	0.764	79%	0.794	S	S	*	*			trans	-67.7	142.8	-178.7	171.4	0	0	0	0	111.5
14	N	25	Very low	26	Very low	156 Å²	156	147 Å²	147	83%	0.834	80%	0.795	S	S	*	*			trans	-152.5	109.4	151.5	-123	-13.9	0	0	0	114.1
15	V	28	Very low	26	Very low	124 Å²	124	147.4 Å²	147.4	75%	0.752	80%	0.797	S	S	*	*			trans	16	117.4	138.7	-172.7	0	0	0	0	119
16	K	26.4	Very low	26	Very low	180 Å²	180	146.6 Å²	146.6	78%	0.783	79%	0.788	S	S	*	*			trans	-58.6	151.4	157.5	-74.4	177.8	172.6	-176.2	0	111.5
17	D	25.4	Very low	26	Very low	139 Å²	139	142.7 Å²	142.7	74%	0.743	79%	0.789	S	S	*	*			cis	-167	-175.2	25.9	-96.7	-32.9	0	0	0	106
18	P	34.8	Very low	25.9	Very low	115 Å²	115	143.5 Å²	143.5	75%	0.747	80%	0.798	S	S	*	*			cis	-135.7	156.5	4.2	26	-1.1	0	0	0	117.3
19	C	24.4	Very low	25.9	Very low	109 Å²	109	142.1 Å²	142.1	74%	0.736	80%	0.798	S	S	*	*			trans	45.4	101.5	131.2	-138.4	0	0	0	0	120.9
20	V	26.8	Very low	26.1	Very low	145 Å²	145	138.9 Å²	138.9	88%	0.879	80%	0.796	S	S	*	*			trans	-130.5	114.7	139.4	178.5	0	0	0	0	107.5	S22	V20-S22 PolarHBondContact O-N 3.48Å
21	T	25.7	Very low	26.3	Very low	121 Å²	121	143.5 Å²	143.5	74%	0.742	80%	0.802	S	S	*	*			trans	-74.1	113.3	179.3	38.1	0	0	0	0	111.6
22	S	24.7	Very low	26.7	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	81%	0.81	S	S	*	*			trans	-113.7	111.4	157.6	62.5	0	0	0	0	108.8	V20 S24	V20-S22 PolarHBondContact O-N 3.48Å; S22-S24 PolarHBondContact O-N 3.23Å
23	V	25.3	Very low	26.7	Very low	137 Å²	137	145.4 Å²	145.4	83%	0.83	80%	0.8	S	S	*	*			trans	-72.4	106.6	177.2	176.8	0	0	0	0	108.7
24	S	23.5	Very low	26.8	Very low	97 Å²	97	148.4 Å²	148.4	68%	0.678	81%	0.806	S	S	*	*			trans	-88.8	111.4	166.3	57.5	0	0	0	0	109.4	S22 T26	S22-S24 PolarHBondContact O-N 3.23Å; S24-T26 PolarHBondContact O-N 3.18Å
25	L	25.8	Very low	27.2	Very low	169 Å²	169	146 Å²	146	89%	0.885	81%	0.807	S	S	*	*			trans	-70.9	101.7	168.1	-82	156.3	0	0	0	109.3
26	T	23.9	Very low	27.8	Very low	115 Å²	115	148.2 Å²	148.2	71%	0.706	81%	0.809	S	S	*	*			trans	-78.4	138.1	167.4	41.1	0	0	0	0	110.8	S24	S24-T26 PolarHBondContact O-N 3.18Å
27	P	27.3	Very low	28.7	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	81%	0.807	S	S	*	*			trans	-69.8	132.7	176.6	27.4	-31.3	0	0	0	110.9	K29	P27-K29 PolarHBondContact O-N 3.28Å; P27-K29 VanDerWaalsContact O-N 3.08Å
28	F	25.6	Very low	30.6	Very low	213 Å²	213	146.7 Å²	146.7	93%	0.934	80%	0.804	S	S	*	*			trans	-60.6	106	177.8	-127.1	-100.6	0	0	0	110
29	K	26.2	Very low	32.8	Very low	199 Å²	199	145.3 Å²	145.3	87%	0.865	79%	0.787	S	S	*	*			trans	-83.5	111.9	166.9	-91	-178.2	173	178.8	0	108.5	P27	P27-K29 PolarHBondContact O-N 3.28Å; P27-K29 VanDerWaalsContact O-N 3.08Å
30	M	27.8	Very low	36	Very low	176 Å²	176	140.3 Å²	140.3	87%	0.867	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-63.9	132.3	164.9	-73.3	-172.7	-145.7	0	0	109.6
31	K	27.2	Very low	39.2	Very low	204 Å²	204	134.9 Å²	134.9	89%	0.887	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-74.8	125.3	170.8	-83	176.5	173	176.7	0	108.5	S33	K31-S33 PolarHBondContact O-N 2.89Å
32	H	32.3	Very low	42.6	Very low	200 Å²	200	129.1 Å²	129.1	93%	0.926	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69	117	169.1	-75.3	-71.4	0	0	0	110.4
33	S	27.1	Very low	45.9	Very low	98 Å²	98	124.7 Å²	124.7	69%	0.685	65%	0.653	S	S	*	*			trans	-142.8	127.3	157.3	56.1	0	0	0	0	108.3	K31	K31-S33 PolarHBondContact O-N 2.89Å
34	E	30.1	Very low	49.2	Very low	190 Å²	190	118.2 Å²	118.2	89%	0.888	61%	0.613	S	S	*	*	S	Bend	trans	69.9	135.2	179.9	-60.7	-179.8	172	0	0	115.4	E36	E34-E36 PolarHBondContact O-N 3.16Å
35	A	32.9	Very low	52.5	Low	105 Å²	105	115.4 Å²	115.4	87%	0.868	59%	0.59	S	S	*	*			trans	-70.4	81.7	-179.7	0	0	0	0	0	109.4	Q37	A35-Q37 PolarHBondContact O-N 3.06Å; A35-Q37 VanDerWaalsContact O-N 3.1Å
36	E	39.8	Very low	55.4	Low	170 Å²	170	107.4 Å²	107.4	79%	0.794	55%	0.548	S	S	*	.			trans	-55.4	115.8	166.3	-77.1	-176.8	159.4	0	0	107.7	E34 L38	E34-E36 PolarHBondContact O-N 3.16Å; E36-L38 PolarHBondContact O-N 3.49Å
37	Q	46.9	Very low	58.3	Low	158 Å²	158	103.7 Å²	103.7	74%	0.738	53%	0.526	S	S	*	.			trans	-54.2	108.1	164.6	-73.2	171.5	-12.3	0	0	106.4	A35 H39	A35-Q37 PolarHBondContact O-N 3.06Å; A35-Q37 VanDerWaalsContact O-N 3.1Å; Q37-H39 PolarHBondContact O-CE1 3.14Å; Q37-H39 PolarHBondContact O-N 3.08Å; Q37-H39 PolarHBondContact O-ND1 3.34Å
38	L	65.3	Low	60.5	Low	130 Å²	130	99.4 Å²	99.4	68%	0.681	50%	0.499	S	S	*	.			trans	-62.6	111.2	177.7	-77.3	151.7	0	0	0	106.8	E36 E127	E36-L38 PolarHBondContact O-N 3.49Å; L38-E127 HydrophobicContact CB-CB 3.87Å; L38-E127 HydrophobicContact CB-CG 3.65Å; L38-E127 WeakPolarHBondContact O-CG 3.37Å
39	H	80.9	Confident	62.6	Low	86 Å²	86	93.9 Å²	93.9	40%	0.398	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-91.2	143	174.9	-68.5	89.6	0	0	0	109.2	Q37	Q37-H39 PolarHBondContact O-CE1 3.14Å; Q37-H39 PolarHBondContact O-N 3.08Å; Q37-H39 PolarHBondContact O-ND1 3.34Å
40	P	91.3	Very high	64.3	Low	4 Å²	4	90.8 Å²	90.8	3%	0.026	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-57.9	145.9	168	26.5	-36.5	0	0	0	110.9	S73 F74 K75 V125	P40-S73 WeakPolarHBondContact CD-O 3.2Å; P40-S73 WeakPolarHBondContact CG-O 3.32Å; P40-F74 HydrophobicContact CB-CD1 3.96Å; P40-F74 HydrophobicContact CB-CE1 4.02Å; P40-F74 HydrophobicContact CG-CD1 3.62Å; P40-F74 HydrophobicContact CG-CE1 3.69Å; P40-F74 HydrophobicContact CG-CG 4.3Å; P40-F74 HydrophobicContact CG-CZ 4.42Å; P40-F74 WeakPolarHBondContact O-CA 3.5Å; P40-K75 PolarHBondContact O-N 2.8Å; P40-V125 CarbonylContact C-O 3.57Å; P40-V125 VanDerWaalsContact CA-O 3.29Å; P40-V125 WeakPolarHBondContact CA-O 3.41Å; P40-V125 VanDerWaalsContact CB-O 3.3Å; P40-V125 WeakPolarHBondContact CB-O 3.42Å
41	C	93.9	Very high	66.1	Low	30 Å²	30	89.4 Å²	89.4	20%	0.203	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.9	-179.3	-63.8	0	0	0	0	109.8	Y43 K75 F77 A124 V125	C41-Y43 HydrophobicContact CB-CE2 3.62Å; C41-K75 CarbonylContact C-O 3.56Å; C41-K75 WeakPolarHBondContact CA-O 3.44Å; C41-F77 HydrophobicContact CB-CD2 4.15Å; C41-F77 HydrophobicContact CB-CE2 3.82Å; C41-A124 CarbonylContact O-C 3.58Å; C41-A124 VanDerWaalsContact O-CA 3.31Å; C41-A124 WeakPolarHBondContact O-CA 3.22Å; C41-V125 PolarHBondContact N-O 3.38Å; C41-V125 PolarHBondContact O-N 3.02Å
42	L	95.7	Very high	68.1	Low	0 Å²	0	85.5 Å²	85.5	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.9	176.9	179.1	67.1	0	0	0	109.8	L44 V62 L66 F74 K75 V76 F77 A124 V139 I143	L42-L44 HydrophobicContact CD1-CD2 4.1Å; L42-L44 HydrophobicContact CD2-CD1 4.35Å; L42-L44 HydrophobicContact CD2-CD2 4.11Å; L42-L44 HydrophobicContact CD2-CG 4.38Å; L42-L44 HydrophobicContact CG-CD2 3.88Å; L42-L44 HydrophobicContact CG-CG 4.17Å; L42-V62 HydrophobicContact CD2-CG1 3.72Å; L42-L66 HydrophobicContact CD2-CD1 3.71Å; L42-F74 HydrophobicContact CB-CB 4.22Å; L42-F74 HydrophobicContact CB-CD1 4.21Å; L42-K75 PolarHBondContact N-O 3.31Å; L42-V76 HydrophobicContact CB-CG2 4.49Å; L42-V76 HydrophobicContact CD2-CG2 4.22Å; L42-V76 CarbonylContact O-C 3.53Å; L42-V76 WeakPolarHBondContact O-CA 3.2Å; L42-F77 PolarHBondContact O-N 2.67Å; L42-A124 HydrophobicContact CD1-CB 3.9Å; L42-V139 HydrophobicContact CD1-CG1 3.58Å; L42-I143 HydrophobicContact CD2-CD1 4.31Å
43	Y	95.1	Very high	70.1	Confident	18 Å²	18	77 Å²	77	7%	0.071	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.1	-177.2	-59.7	-90.4	0	0	0	109.5	C41 F77 V79 L107 L112 P113 V116 P122 A123 V125	C41-Y43 HydrophobicContact CB-CE2 3.62Å; Y43-F77 WeakPolarHBondContact CA-O 3.5Å; Y43-F77 HydrophobicContact CD1-CB 3.81Å; Y43-F77 HydrophobicContact CD1-CD2 4.36Å; Y43-F77 HydrophobicContact CD1-CG 4.31Å; Y43-F77 HydrophobicContact CE1-CB 4.07Å; Y43-F77 AromaticContact CE1-CD2 3.95Å; Y43-F77 HydrophobicContact CE1-CD2 3.95Å; Y43-F77 HydrophobicContact CE1-CG 4.06Å; Y43-V79 HydrophobicContact CD1-CG2 4.16Å; Y43-L107 HydrophobicContact CD1-CD1 4.18Å; Y43-L107 HydrophobicContact CE1-CD1 3.83Å; Y43-L112 HydrophobicContact CD1-CD2 3.57Å; Y43-L112 HydrophobicContact CE1-CD2 3.98Å; Y43-L112 HydrophobicContact CG-CD2 4.35Å; Y43-P113 HydrophobicContact CE1-CG 4.47Å; Y43-P113 HydrophobicContact CE2-CG 4.18Å; Y43-P113 VanDerWaalsContact OH-CG 3.26Å; Y43-P113 WeakPolarHBondContact OH-CG 3.33Å; Y43-V116 HydrophobicContact CD1-CG1 4.5Å; Y43-V116 HydrophobicContact CD2-CG1 4.01Å; Y43-V116 HydrophobicContact CD2-CG2 3.77Å; Y43-V116 HydrophobicContact CE2-CG2 3.86Å; Y43-V116 HydrophobicContact CG-CG1 3.91Å; Y43-V116 HydrophobicContact CG-CG2 4.46Å; Y43-P122 WeakPolarHBondContact O-CA 3.48Å; Y43-A123 PolarHBondContact N-O 2.95Å; Y43-A123 PolarHBondContact O-N 3.08Å; Y43-A123 VanDerWaalsContact O-N 3.11Å; Y43-V125 HydrophobicContact CD2-CG2 4.26Å; Y43-V125 HydrophobicContact CE2-CB 4.34Å; Y43-V125 HydrophobicContact CE2-CG2 3.82Å
44	L	94.5	Very high	72.7	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.7	-176.8	-53.8	179.8	0	0	0	110.3	L42 T59 V62 L63 V76 F77 L78 V79 P122	L42-L44 HydrophobicContact CD1-CD2 4.1Å; L42-L44 HydrophobicContact CD2-CD1 4.35Å; L42-L44 HydrophobicContact CD2-CD2 4.11Å; L42-L44 HydrophobicContact CD2-CG 4.38Å; L42-L44 HydrophobicContact CG-CD2 3.88Å; L42-L44 HydrophobicContact CG-CG 4.17Å; L44-T59 HydrophobicContact CB-CG2 3.82Å; L44-T59 HydrophobicContact CD1-CG2 4.15Å; L44-V62 HydrophobicContact CD1-CB 4.41Å; L44-V62 HydrophobicContact CD1-CG1 4.11Å; L44-V62 HydrophobicContact CD2-CB 3.94Å; L44-V62 HydrophobicContact CD2-CG1 3.67Å; L44-V62 HydrophobicContact CD2-CG2 4.21Å; L44-L63 HydrophobicContact CD1-CD2 3.81Å; L44-L63 HydrophobicContact CD1-CG 4.01Å; L44-V76 HydrophobicContact CD1-CG1 3.67Å; L44-V76 HydrophobicContact CG-CG1 4.17Å; L44-F77 PolarHBondContact N-O 2.91Å; L44-L78 HydrophobicContact CB-CD2 4.12Å; L44-V79 PolarHBondContact O-N 3.42Å; L44-P122 HydrophobicContact CD2-CB 3.69Å
45	E	91.9	Very high	75.4	Confident	39 Å²	39	69.7 Å²	69.7	18%	0.182	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144.6	-178.3	-173.2	171.8	-157.9	0	0	111.5	P56 T59 V79 R81 L121	E45-P56 HydrophobicContact CB-CG 4.3Å; E45-P56 HydrophobicContact CG-CG 4.2Å; E45-P56 VanDerWaalsContact O-CD 3.27Å; E45-P56 WeakPolarHBondContact O-CD 3.42Å; E45-T59 PolarHBondContact N-OG1 2.86Å; E45-T59 WeakPolarHBondContact O-CB 3.5Å; E45-T59 PolarHBondContact O-OG1 2.75Å; E45-V79 CarbonylContact C-O 3.51Å; E45-R81 WeakPolarHBondContact OE1-CD 3.43Å; E45-R81 WeakPolarHBondContact OE1-CG 3.48Å; E45-R81 IonicContact OE1-CZ 3.54Å; E45-R81 IonicContact OE1-NE 3.01Å; E45-R81 IonicContact OE1-NH1 3.35Å; E45-R81 PolarHBondContact OE1-NH1 3.25Å; E45-R81 IonicContact OE2-NH1 2.69Å; E45-L121 HydrophobicContact CB-CB 4.12Å; E45-L121 HydrophobicContact CB-CD1 4.08Å
46	V	88.6	Confident	78.3	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.7	168.7	176.7	0	0	0	0	109.2	L55 L78 V79 R81 F94 F106	V46-L55 HydrophobicContact CG2-CD2 3.96Å; V46-L78 HydrophobicContact CG2-CB 3.79Å; V46-L78 HydrophobicContact CG2-CD1 4.21Å; V46-L78 HydrophobicContact CG2-CD2 3.99Å; V46-L78 HydrophobicContact CG2-CG 4.21Å; V46-V79 PolarHBondContact N-O 2.9Å; V46-R81 PolarHBondContact O-N 3.19Å; V46-F94 HydrophobicContact CG1-CE2 3.68Å; V46-F94 HydrophobicContact CG1-CZ 3.44Å; V46-F94 VanDerWaalsContact CG1-CZ 3.44Å; V46-F94 HydrophobicContact CG2-CE2 4.15Å; V46-F94 HydrophobicContact CG2-CZ 4.42Å; V46-F106 HydrophobicContact CB-CE1 4.46Å; V46-F106 HydrophobicContact CG1-CE1 4.22Å; V46-F106 HydrophobicContact CG2-CE1 4.27Å
47	C	83	Confident	80.9	Confident	37 Å²	37	57.4 Å²	57.4	25%	0.25	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	155.1	177.9	-64.6	0	0	0	0	110.4	R54	C47-R54 PolarHBondContact N-O 2.9Å; C47-R54 PolarHBondContact O-N 3.08Å
48	S	74.4	Confident	83.2	Confident	30 Å²	30	51.4 Å²	51.4	21%	0.21	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138	159.4	10.8	0	0	0	0	111.2	E52 R80 D82	S48-E52 CarbonylContact C-O 3.5Å; S48-E52 VanDerWaalsContact CA-O 3.28Å; S48-E52 WeakPolarHBondContact CA-O 3.28Å; S48-R80 PolarHBondContact OG-NH2 3.48Å; S48-D82 WeakPolarHBondContact CB-OD2 3.36Å; S48-D82 PolarHBondContact N-OD2 3.45Å; S48-D82 PolarHBondContact OG-OD2 2.85Å
49	H	68.6	Low	84.6	Confident	97 Å²	97	45.3 Å²	45.3	45%	0.449	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.5	170.4	-178.4	-87.1	0	0	0	108.4	E51 E52	H49-E51 PolarHBondContact O-N 3.2Å; H49-E52 PolarHBondContact N-O 3.35Å; H49-E52 PolarHBondContact O-N 2.87Å
50	N	63.9	Low	85.2	Confident	134 Å²	134	42 Å²	42	72%	0.717	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.4	-173.3	-62.4	-16.6	0	0	0	113.7	E52	N50-E52 PolarHBondContact O-N 3.01Å; N50-E52 VanDerWaalsContact O-N 3.17Å
51	E	65.6	Low	85.5	Confident	147 Å²	147	41.8 Å²	41.8	69%	0.687	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	2.3	-174.3	-51.3	-165.1	141.5	0	0	115.7	H49	H49-E51 PolarHBondContact O-N 3.2Å
52	E	69.3	Low	85.6	Confident	122 Å²	122	40.3 Å²	40.3	57%	0.57	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.2	173.2	-65	-171.4	159.1	0	0	111.8	S48 H49 N50	S48-E52 CarbonylContact C-O 3.5Å; S48-E52 VanDerWaalsContact CA-O 3.28Å; S48-E52 WeakPolarHBondContact CA-O 3.28Å; H49-E52 PolarHBondContact N-O 3.35Å; H49-E52 PolarHBondContact O-N 2.87Å; N50-E52 PolarHBondContact O-N 3.01Å; N50-E52 VanDerWaalsContact O-N 3.17Å
53	P	73.2	Confident	85.6	Confident	22 Å²	22	40.5 Å²	40.5	14%	0.143	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.9	177.7	30.2	-33.5	0	0	0	110.5	F88 Q92 F94	P53-F88 HydrophobicContact CB-CD1 3.77Å; P53-F88 HydrophobicContact CB-CD2 4.4Å; P53-F88 HydrophobicContact CB-CE1 3.51Å; P53-F88 HydrophobicContact CB-CE2 4.16Å; P53-F88 HydrophobicContact CB-CG 4.22Å; P53-F88 HydrophobicContact CB-CZ 3.72Å; P53-F88 HydrophobicContact CG-CD1 3.8Å; P53-F88 HydrophobicContact CG-CE1 3.99Å; P53-F88 HydrophobicContact CG-CG 4.3Å; P53-Q92 HydrophobicContact CG-CB 3.85Å; P53-Q92 VanDerWaalsContact CG-O 3.27Å; P53-Q92 WeakPolarHBondContact CG-O 3.32Å; P53-F94 VanDerWaalsContact C-CE1 3.45Å; P53-F94 HydrophobicContact CB-CE1 3.9Å; P53-F94 HydrophobicContact CB-CE2 3.97Å; P53-F94 HydrophobicContact CB-CZ 3.39Å; P53-F94 HydrophobicContact CG-CE1 4.46Å; P53-F94 HydrophobicContact CG-CZ 4.29Å; P53-F94 VanDerWaalsContact O-CE1 3.31Å; P53-F94 WeakPolarHBondContact O-CE1 3.43Å
54	R	81.5	Confident	85.6	Confident	101 Å²	101	39.7 Å²	39.7	38%	0.381	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.5	178.2	-173.8	172.1	175.3	163	-0.5	110.9	C47 P56 L193	C47-R54 PolarHBondContact N-O 2.9Å; C47-R54 PolarHBondContact O-N 3.08Å; R54-P56 WeakPolarHBondContact O-CD 3.46Å; R54-L193 VanDerWaalsContact NH2-CD1 3.29Å
55	L	88	Confident	85.7	Confident	33 Å²	33	39.7 Å²	39.7	17%	0.173	20%	0.198	C	C	.	.			trans	-82.9	122.6	172.7	-58.7	179.6	0	0	0	109.7	V46 T59 L63 F94	V46-L55 HydrophobicContact CG2-CD2 3.96Å; L55-T59 HydrophobicContact CB-CG2 4.44Å; L55-T59 HydrophobicContact CD2-CG2 3.92Å; L55-L63 HydrophobicContact CD1-CD1 3.83Å; L55-F94 HydrophobicContact CD1-CB 4.38Å; L55-F94 HydrophobicContact CD1-CD1 4.02Å; L55-F94 HydrophobicContact CD1-CG 4.24Å; L55-F94 HydrophobicContact CD2-CD1 3.77Å; L55-F94 HydrophobicContact CD2-CD2 3.92Å; L55-F94 HydrophobicContact CD2-CE1 3.62Å; L55-F94 HydrophobicContact CD2-CE2 3.78Å; L55-F94 HydrophobicContact CD2-CG 3.89Å; L55-F94 HydrophobicContact CD2-CZ 3.57Å; L55-F94 HydrophobicContact CG-CD1 3.54Å; L55-F94 HydrophobicContact CG-CE1 3.57Å; L55-F94 HydrophobicContact CG-CG 4.04Å; L55-F94 HydrophobicContact CG-CZ 4.07Å
56	P	92.1	Very high	85.9	Confident	13 Å²	13	37.8 Å²	37.8	8%	0.084	19%	0.189	C	C	.	.			trans	-58.4	153.5	164.3	-22	34.4	0	0	0	110.9	E45 R54 H58 T59 S60	E45-P56 HydrophobicContact CB-CG 4.3Å; E45-P56 HydrophobicContact CG-CG 4.2Å; E45-P56 VanDerWaalsContact O-CD 3.27Å; E45-P56 WeakPolarHBondContact O-CD 3.42Å; R54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-H58 VanDerWaalsContact C-N 3.26Å; P56-H58 PolarHBondContact O-N 2.82Å; P56-T59 WeakPolarHBondContact O-CB 3.27Å; P56-T59 PolarHBondContact O-N 3.43Å; P56-S60 PolarHBondContact O-N 2.72Å; P56-S60 PolarHBondContact O-OG 3.02Å
57	L	94.4	Very high	86.1	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-38.1	-178.7	-71.4	179.8	0	0	0	111.8	T59 S60 I61 P186 V189 E190 C310	L57-T59 VanDerWaalsContact C-N 3.27Å; L57-T59 PolarHBondContact O-N 3.4Å; L57-S60 PolarHBondContact O-N 3.45Å; L57-I61 WeakPolarHBondContact O-CB 3.18Å; L57-I61 WeakPolarHBondContact O-CD1 3.35Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 3.42Å; L57-P186 HydrophobicContact CB-CB 4.29Å; L57-P186 HydrophobicContact CD1-CB 4.33Å; L57-P186 WeakPolarHBondContact CD1-O 3.35Å; L57-V189 HydrophobicContact CD1-CB 3.76Å; L57-V189 HydrophobicContact CD1-CG1 3.73Å; L57-E190 HydrophobicContact CB-CG 4.4Å; L57-E190 HydrophobicContact CD1-CG 3.71Å; L57-E190 HydrophobicContact CG-CG 3.8Å; L57-E190 PolarHBondContact N-OE1 3.07Å; L57-C310 HydrophobicContact CD1-CB 4.23Å
58	H	95.6	Very high	86.6	Confident	31 Å²	31	36.3 Å²	36.3	14%	0.144	18%	0.179	C	C	.	.	H	α-helix	trans	-55.9	-41.5	174.1	-69.6	76.2	0	0	0	112.5	P56 V62 L136 E182	P56-H58 VanDerWaalsContact C-N 3.26Å; P56-H58 PolarHBondContact O-N 2.82Å; H58-V62 VanDerWaalsContact O-CG2 3.29Å; H58-V62 WeakPolarHBondContact O-CG2 3.41Å; H58-V62 PolarHBondContact O-N 2.88Å; H58-L136 HydrophobicContact CB-CD1 4.44Å; H58-E182 PolarHBondContact NE2-O 3.04Å
59	T	94.5	Very high	87.5	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-46	176.3	-66.5	0	0	0	0	111.1	L44 E45 L55 P56 L57 I61 V62 L63	L44-T59 HydrophobicContact CB-CG2 3.82Å; L44-T59 HydrophobicContact CD1-CG2 4.15Å; E45-T59 PolarHBondContact N-OG1 2.86Å; E45-T59 WeakPolarHBondContact O-CB 3.5Å; E45-T59 PolarHBondContact O-OG1 2.75Å; L55-T59 HydrophobicContact CB-CG2 4.44Å; L55-T59 HydrophobicContact CD2-CG2 3.92Å; P56-T59 WeakPolarHBondContact O-CB 3.27Å; P56-T59 PolarHBondContact O-N 3.43Å; L57-T59 VanDerWaalsContact C-N 3.27Å; L57-T59 PolarHBondContact O-N 3.4Å; T59-I61 VanDerWaalsContact C-N 3.3Å; T59-I61 PolarHBondContact O-N 3.08Å; T59-V62 PolarHBondContact O-N 2.67Å; T59-V62 VanDerWaalsContact O-N 3.15Å; T59-L63 HydrophobicContact CG2-CD1 3.88Å; T59-L63 HydrophobicContact CG2-CG 4.35Å; T59-L63 WeakPolarHBondContact O-CG 3.45Å; T59-L63 PolarHBondContact O-N 3.03Å
60	S	94.1	Very high	88.6	Confident	16 Å²	16	34.9 Å²	34.9	11%	0.112	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-39.9	177.6	-58	0	0	0	0	112.4	P56 L57 L63 F64	P56-S60 PolarHBondContact O-N 2.72Å; P56-S60 PolarHBondContact O-OG 3.02Å; L57-S60 PolarHBondContact O-N 3.45Å; S60-L63 PolarHBondContact O-N 3.16Å; S60-F64 VanDerWaalsContact O-CB 3.26Å; S60-F64 WeakPolarHBondContact O-CB 3.17Å; S60-F64 PolarHBondContact O-N 3.41Å
61	I	97.1	Very high	89.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-44.2	175.9	-67.4	160	0	0	0	111.4	L57 T59 F64 L65 L136 L140 V306 P309	L57-I61 WeakPolarHBondContact O-CB 3.18Å; L57-I61 WeakPolarHBondContact O-CD1 3.35Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 3.42Å; T59-I61 VanDerWaalsContact C-N 3.3Å; T59-I61 PolarHBondContact O-N 3.08Å; I61-F64 PolarHBondContact O-N 3.26Å; I61-L65 PolarHBondContact O-N 3.4Å; I61-L136 HydrophobicContact CB-CD1 4.31Å; I61-L136 HydrophobicContact CD1-CD2 3.96Å; I61-L136 HydrophobicContact CG2-CD1 4.06Å; I61-L140 HydrophobicContact CG2-CD1 3.74Å; I61-L140 HydrophobicContact CG2-CD2 4.12Å; I61-V306 HydrophobicContact CD1-CG1 4.28Å; I61-V306 WeakPolarHBondContact CD1-O 3.44Å; I61-V306 WeakPolarHBondContact CG1-O 3.32Å; I61-V306 HydrophobicContact CG2-CB 4.4Å; I61-V306 HydrophobicContact CG2-CG2 4.09Å; I61-P309 HydrophobicContact CG1-CB 4.22Å; I61-P309 HydrophobicContact CG1-CG 4.04Å
62	V	97.1	Very high	90.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-43.6	-179.7	176.6	0	0	0	0	111.2	L42 L44 H58 T59 F64 L65 L66 P122 L136 L140 I143	L42-V62 HydrophobicContact CD2-CG1 3.72Å; L44-V62 HydrophobicContact CD1-CB 4.41Å; L44-V62 HydrophobicContact CD1-CG1 4.11Å; L44-V62 HydrophobicContact CD2-CB 3.94Å; L44-V62 HydrophobicContact CD2-CG1 3.67Å; L44-V62 HydrophobicContact CD2-CG2 4.21Å; H58-V62 VanDerWaalsContact O-CG2 3.29Å; H58-V62 WeakPolarHBondContact O-CG2 3.41Å; H58-V62 PolarHBondContact O-N 2.88Å; T59-V62 PolarHBondContact O-N 2.67Å; T59-V62 VanDerWaalsContact O-N 3.15Å; V62-F64 VanDerWaalsContact C-N 3.35Å; V62-L65 PolarHBondContact O-N 2.82Å; V62-L66 HydrophobicContact CG1-CD1 4.15Å; V62-L66 WeakPolarHBondContact O-CB 3.44Å; V62-L66 WeakPolarHBondContact O-CG 3.19Å; V62-L66 PolarHBondContact O-N 3.06Å; V62-P122 HydrophobicContact CG2-CB 4.05Å; V62-P122 HydrophobicContact CG2-CG 4.01Å; V62-L136 HydrophobicContact CG2-CD1 3.78Å; V62-L140 HydrophobicContact CB-CD2 4.26Å; V62-L140 HydrophobicContact CG2-CD2 3.77Å; V62-I143 HydrophobicContact CG1-CD1 3.74Å
63	L	94.6	Very high	91.8	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-42.4	175.7	-68.3	171.9	0	0	0	111.7	L44 L55 T59 S60 L65 L66 S67 L96 L100	L44-L63 HydrophobicContact CD1-CD2 3.81Å; L44-L63 HydrophobicContact CD1-CG 4.01Å; L55-L63 HydrophobicContact CD1-CD1 3.83Å; T59-L63 HydrophobicContact CG2-CD1 3.88Å; T59-L63 HydrophobicContact CG2-CG 4.35Å; T59-L63 WeakPolarHBondContact O-CG 3.45Å; T59-L63 PolarHBondContact O-N 3.03Å; S60-L63 PolarHBondContact O-N 3.16Å; L63-L65 PolarHBondContact O-N 3.32Å; L63-L66 PolarHBondContact O-N 3.05Å; L63-S67 PolarHBondContact O-N 3.36Å; L63-L96 HydrophobicContact CD1-CD2 3.79Å; L63-L96 HydrophobicContact CD2-CD2 4.28Å; L63-L100 HydrophobicContact CD2-CD1 4.15Å
64	F	95.5	Very high	92.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-45.4	175.9	180	-94.8	0	0	0	111.9	S60 I61 V62 L66 S67 Y68 V305 L308 P309 V345 A348 A349 L354	S60-F64 VanDerWaalsContact O-CB 3.26Å; S60-F64 WeakPolarHBondContact O-CB 3.17Å; S60-F64 PolarHBondContact O-N 3.41Å; I61-F64 PolarHBondContact O-N 3.26Å; V62-F64 VanDerWaalsContact C-N 3.35Å; F64-L66 PolarHBondContact O-N 2.84Å; F64-S67 PolarHBondContact O-N 3.14Å; F64-Y68 VanDerWaalsContact O-CB 3.31Å; F64-Y68 WeakPolarHBondContact O-CB 3.45Å; F64-Y68 PolarHBondContact O-N 2.88Å; F64-V305 HydrophobicContact CD1-CG1 3.67Å; F64-V305 HydrophobicContact CE1-CG1 3.89Å; F64-L308 HydrophobicContact CE1-CD2 3.98Å; F64-L308 HydrophobicContact CE2-CD2 3.97Å; F64-L308 HydrophobicContact CZ-CD2 3.48Å; F64-L308 VanDerWaalsContact CZ-CD2 3.48Å; F64-P309 HydrophobicContact CB-CG 4.1Å; F64-P309 HydrophobicContact CD1-CG 4.42Å; F64-P309 HydrophobicContact CG-CG 4.17Å; F64-V345 HydrophobicContact CZ-CG1 4.21Å; F64-V345 HydrophobicContact CZ-CG2 4.49Å; F64-A348 HydrophobicContact CD2-CB 4.1Å; F64-A348 HydrophobicContact CE2-CB 3.66Å; F64-A348 HydrophobicContact CZ-CB 4.03Å; F64-A349 HydrophobicContact CE2-CB 4.12Å; F64-L354 HydrophobicContact CD2-CD1 4.16Å
65	L	96.7	Very high	93.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-41.7	175.9	177.7	65.8	0	0	0	111.9	I61 V62 L63 S67 Y68 C69 L140 I143 I144 L160 L302 V305	I61-L65 PolarHBondContact O-N 3.4Å; V62-L65 PolarHBondContact O-N 2.82Å; L63-L65 PolarHBondContact O-N 3.32Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.37Å; L65-Y68 PolarHBondContact O-N 3.41Å; L65-C69 VanDerWaalsContact CD1-SG 3.54Å; L65-C69 VanDerWaalsContact O-CB 3.3Å; L65-C69 WeakPolarHBondContact O-CB 3.33Å; L65-C69 PolarHBondContact O-N 3.32Å; L65-C69 PolarHBondContact O-SG 2.87Å; L65-L140 HydrophobicContact CB-CD2 3.91Å; L65-L140 HydrophobicContact CD2-CB 3.65Å; L65-L140 HydrophobicContact CD2-CD2 3.4Å; L65-L140 HydrophobicContact CD2-CG 4.06Å; L65-L140 WeakPolarHBondContact CD2-O 3.45Å; L65-L140 HydrophobicContact CG-CD2 4.3Å; L65-I143 HydrophobicContact CD2-CB 4.15Å; L65-I143 HydrophobicContact CD2-CD1 4.49Å; L65-I143 HydrophobicContact CD2-CG2 4.11Å; L65-I143 HydrophobicContact CG-CG2 4.23Å; L65-I144 HydrophobicContact CD1-CD1 4.33Å; L65-I144 HydrophobicContact CD1-CG1 4.16Å; L65-I144 HydrophobicContact CD2-CD1 4.33Å; L65-I144 HydrophobicContact CD2-CG1 4.18Å; L65-L160 HydrophobicContact CD1-CD1 3.93Å; L65-L302 HydrophobicContact CD1-CD1 4.42Å; L65-L302 HydrophobicContact CD2-CD1 4.06Å; L65-V305 HydrophobicContact CB-CG1 3.93Å; L65-V305 HydrophobicContact CD1-CG1 3.95Å; L65-V305 HydrophobicContact CG-CG1 4.48Å
66	L	95.3	Very high	93.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-44.4	177.9	-78.1	169.9	0	0	0	111.6	L42 V62 L63 F64 E70 S71 F74 V76 L100 I143	L42-L66 HydrophobicContact CD2-CD1 3.71Å; V62-L66 HydrophobicContact CG1-CD1 4.15Å; V62-L66 WeakPolarHBondContact O-CB 3.44Å; V62-L66 WeakPolarHBondContact O-CG 3.19Å; V62-L66 PolarHBondContact O-N 3.06Å; L63-L66 PolarHBondContact O-N 3.05Å; F64-L66 PolarHBondContact O-N 2.84Å; L66-E70 PolarHBondContact O-N 3.37Å; L66-S71 PolarHBondContact O-N 3.08Å; L66-F74 HydrophobicContact CD2-CD2 4.12Å; L66-V76 HydrophobicContact CD1-CG2 4.02Å; L66-L100 HydrophobicContact CB-CD1 3.82Å; L66-L100 HydrophobicContact CB-CD2 3.77Å; L66-L100 HydrophobicContact CB-CG 4.46Å; L66-L100 HydrophobicContact CD1-CD1 4.18Å; L66-L100 HydrophobicContact CD1-CD2 4.43Å; L66-L100 HydrophobicContact CG-CD2 4.49Å; L66-I143 HydrophobicContact CD2-CD1 4.01Å; L66-I143 HydrophobicContact CD2-CG1 4.15Å; L66-I143 HydrophobicContact CD2-CG2 3.77Å; L66-I143 HydrophobicContact CG-CD1 4.1Å; L66-I143 HydrophobicContact CG-CG2 4.47Å
67	S	93.9	Very high	93.3	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.2	-44.2	174.5	167.7	0	0	0	0	112.1	L63 F64 L65 C69 E70 A348 D351	L63-S67 PolarHBondContact O-N 3.36Å; F64-S67 PolarHBondContact O-N 3.14Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.37Å; S67-C69 VanDerWaalsContact C-N 3.29Å; S67-C69 PolarHBondContact O-N 3.16Å; S67-E70 PolarHBondContact O-N 3.47Å; S67-A348 VanDerWaalsContact OG-CA 3.26Å; S67-A348 WeakPolarHBondContact OG-CA 3.48Å; S67-D351 VanDerWaalsContact OG-CB 3.29Å; S67-D351 WeakPolarHBondContact OG-CB 3.44Å; S67-D351 PolarHBondContact OG-OD2 2.59Å
68	Y	94.1	Very high	93.1	Very high	6 Å²	6	22 Å²	22	2%	0.024	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-44.5	176.4	-178.9	-92.4	0	0	0	112.2	F64 L65 E70 L160 F300 V345 R347 A348	F64-Y68 VanDerWaalsContact O-CB 3.31Å; F64-Y68 WeakPolarHBondContact O-CB 3.45Å; F64-Y68 PolarHBondContact O-N 2.88Å; L65-Y68 PolarHBondContact O-N 3.41Å; Y68-E70 VanDerWaalsContact C-N 3.29Å; Y68-E70 PolarHBondContact O-N 2.98Å; Y68-L160 HydrophobicContact CD1-CD1 4.01Å; Y68-L160 HydrophobicContact CE1-CD1 3.79Å; Y68-L160 HydrophobicContact CE1-CD2 4.19Å; Y68-L160 HydrophobicContact CE1-CG 4.37Å; Y68-F300 HydrophobicContact CE1-CE1 4.45Å; Y68-F300 HydrophobicContact CE2-CE1 4.21Å; Y68-F300 AromaticContact CZ-CE1 3.88Å; Y68-V345 HydrophobicContact CD2-CG2 4.27Å; Y68-V345 HydrophobicContact CE2-CG2 3.91Å; Y68-R347 PolarHBondContact O-NH2 2.97Å; Y68-A348 HydrophobicContact CD2-CB 4.39Å
69	C	93.3	Very high	92.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-76.4	-14.3	177.2	-72.3	0	0	0	0	113.7	L65 S67 S71 T147 R154	L65-C69 VanDerWaalsContact CD1-SG 3.54Å; L65-C69 VanDerWaalsContact O-CB 3.3Å; L65-C69 WeakPolarHBondContact O-CB 3.33Å; L65-C69 PolarHBondContact O-N 3.32Å; L65-C69 PolarHBondContact O-SG 2.87Å; S67-C69 VanDerWaalsContact C-N 3.29Å; S67-C69 PolarHBondContact O-N 3.16Å; C69-S71 PolarHBondContact O-N 2.91Å; C69-T147 HydrophobicContact CB-CG2 4.14Å; C69-R154 PolarHBondContact O-NH1 2.8Å
70	E	91.1	Very high	92.2	Very high	96 Å²	96	22.2 Å²	22.2	45%	0.449	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	38.3	-169.2	-59.1	172.5	-115.1	0	0	111.5	L66 S67 Y68 K72 R347	L66-E70 PolarHBondContact O-N 3.37Å; S67-E70 PolarHBondContact O-N 3.47Å; Y68-E70 VanDerWaalsContact C-N 3.29Å; Y68-E70 PolarHBondContact O-N 2.98Å; E70-K72 PolarHBondContact O-N 3.33Å; E70-R347 IonicContact OE1-CZ 2.81Å; E70-R347 IonicContact OE1-NH1 3.39Å; E70-R347 PolarHBondContact OE1-NH1 3.47Å; E70-R347 IonicContact OE1-NH2 3.86Å; E70-R347 PolarHBondContact OE1-NH2 3.13Å
71	S	89.6	Confident	91.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.021	13%	0.128	C	C	.	.			trans	-80.9	119.5	-170.1	-162.8	0	0	0	0	111.9	L66 C69 L100 T147	L66-S71 PolarHBondContact O-N 3.08Å; C69-S71 PolarHBondContact O-N 2.91Å; S71-L100 WeakPolarHBondContact O-CD2 3.43Å; S71-T147 WeakPolarHBondContact CB-OG1 3.39Å; S71-T147 PolarHBondContact OG-OG1 3.28Å
72	K	87.5	Confident	89.6	Confident	154 Å²	154	32.5 Å²	32.5	67%	0.67	14%	0.144	S	C	*	.			trans	-100	8.8	174.5	-59.9	-179.2	-177.7	178.4	0	113.2	E70 F74	E70-K72 PolarHBondContact O-N 3.33Å; K72-F74 PolarHBondContact O-N 2.79Å
73	S	89.3	Confident	87.5	Confident	22 Å²	22	38.2 Å²	38.2	15%	0.154	19%	0.185	C	C	.	.	S	Bend	trans	-76.3	-8.4	-170.6	-56.9	0	0	0	0	113.8	P40	P40-S73 WeakPolarHBondContact CD-O 3.2Å; P40-S73 WeakPolarHBondContact CG-O 3.32Å
74	F	91.6	Very high	85.6	Confident	5 Å²	5	43.2 Å²	43.2	2%	0.022	21%	0.211	C	C	.	.			trans	-125.9	141.4	-172.2	-64	-91	0	0	0	111.5	P40 L42 L66 K72 A124 H142 I143 R146	P40-F74 HydrophobicContact CB-CD1 3.96Å; P40-F74 HydrophobicContact CB-CE1 4.02Å; P40-F74 HydrophobicContact CG-CD1 3.62Å; P40-F74 HydrophobicContact CG-CE1 3.69Å; P40-F74 HydrophobicContact CG-CG 4.3Å; P40-F74 HydrophobicContact CG-CZ 4.42Å; P40-F74 WeakPolarHBondContact O-CA 3.5Å; L42-F74 HydrophobicContact CB-CB 4.22Å; L42-F74 HydrophobicContact CB-CD1 4.21Å; L66-F74 HydrophobicContact CD2-CD2 4.12Å; K72-F74 PolarHBondContact O-N 2.79Å; F74-A124 HydrophobicContact CE1-CB 4.41Å; F74-H142 AromaticContact CE1-CD2 3.67Å; F74-H142 AromaticContact CE1-NE2 3.82Å; F74-H142 AromaticContact CZ-CD2 3.64Å; F74-H142 AromaticContact CZ-NE2 3.9Å; F74-I143 HydrophobicContact CD2-CG1 4.32Å; F74-I143 HydrophobicContact CE2-CB 4.19Å; F74-I143 HydrophobicContact CE2-CG1 3.78Å; F74-I143 HydrophobicContact CE2-CG2 4.4Å; F74-I143 HydrophobicContact CZ-CG1 3.98Å; F74-R146 HydrophobicContact CE2-CB 3.99Å; F74-R146 HydrophobicContact CE2-CG 4.39Å; F74-R146 HydrophobicContact CZ-CB 3.95Å; F74-R146 HydrophobicContact CZ-CG 3.85Å
75	K	91.2	Very high	83.4	Confident	89 Å²	89	50.9 Å²	50.9	39%	0.387	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117.4	162.1	-173.9	173	-178.3	171.3	0	108.6	P40 C41 L42 F77 C103	P40-K75 PolarHBondContact O-N 2.8Å; C41-K75 CarbonylContact C-O 3.56Å; C41-K75 WeakPolarHBondContact CA-O 3.44Å; L42-K75 PolarHBondContact N-O 3.31Å; K75-F77 HydrophobicContact CB-CE2 4.23Å; K75-F77 HydrophobicContact CD-CE2 3.88Å; K75-F77 HydrophobicContact CD-CZ 3.67Å; K75-F77 VanDerWaalsContact CE-CZ 3.49Å; K75-F77 HydrophobicContact CG-CD2 4.48Å; K75-F77 HydrophobicContact CG-CE2 3.71Å; K75-F77 HydrophobicContact CG-CZ 3.91Å; K75-C103 WeakPolarHBondContact CE-SG 3.28Å
76	V	91.9	Very high	81.5	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.4	-173.2	-174.5	0	0	0	0	110.4	L42 L44 L66 S101 V102 C103	L42-V76 HydrophobicContact CB-CG2 4.49Å; L42-V76 HydrophobicContact CD2-CG2 4.22Å; L42-V76 CarbonylContact O-C 3.53Å; L42-V76 WeakPolarHBondContact O-CA 3.2Å; L44-V76 HydrophobicContact CD1-CG1 3.67Å; L44-V76 HydrophobicContact CG-CG1 4.17Å; L66-V76 HydrophobicContact CD1-CG2 4.02Å; V76-S101 PolarHBondContact N-O 3.19Å; V76-V102 HydrophobicContact CB-CG2 4.2Å; V76-V102 HydrophobicContact CG1-CG1 4.5Å; V76-V102 HydrophobicContact CG1-CG2 4.49Å; V76-C103 PolarHBondContact O-N 3.33Å
77	F	90.8	Very high	79.5	Confident	29 Å²	29	67.9 Å²	67.9	13%	0.127	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.6	176.3	-65	-88.5	0	0	0	109.9	C41 L42 Y43 L44 K75 C103 L107	C41-F77 HydrophobicContact CB-CD2 4.15Å; C41-F77 HydrophobicContact CB-CE2 3.82Å; L42-F77 PolarHBondContact O-N 2.67Å; Y43-F77 WeakPolarHBondContact CA-O 3.5Å; Y43-F77 HydrophobicContact CD1-CB 3.81Å; Y43-F77 HydrophobicContact CD1-CD2 4.36Å; Y43-F77 HydrophobicContact CD1-CG 4.31Å; Y43-F77 HydrophobicContact CE1-CB 4.07Å; Y43-F77 AromaticContact CE1-CD2 3.95Å; Y43-F77 HydrophobicContact CE1-CD2 3.95Å; Y43-F77 HydrophobicContact CE1-CG 4.06Å; L44-F77 PolarHBondContact N-O 2.91Å; K75-F77 HydrophobicContact CB-CE2 4.23Å; K75-F77 HydrophobicContact CD-CE2 3.88Å; K75-F77 HydrophobicContact CD-CZ 3.67Å; K75-F77 VanDerWaalsContact CE-CZ 3.49Å; K75-F77 HydrophobicContact CG-CD2 4.48Å; K75-F77 HydrophobicContact CG-CE2 3.71Å; K75-F77 HydrophobicContact CG-CZ 3.91Å; F77-C103 HydrophobicContact CD1-CB 3.88Å; F77-C103 HydrophobicContact CE1-CB 4.07Å; F77-C103 WeakPolarHBondContact CE1-SG 3.48Å; F77-L107 HydrophobicContact CB-CD1 3.76Å; F77-L107 HydrophobicContact CB-CG 4.4Å; F77-L107 HydrophobicContact CD1-CD1 3.52Å; F77-L107 HydrophobicContact CD1-CG 4.02Å; F77-L107 HydrophobicContact CE1-CD1 4.29Å; F77-L107 HydrophobicContact CG-CD1 3.81Å
78	L	89.9	Confident	77.6	Confident	5 Å²	5	69 Å²	69	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.2	173.4	-61.5	-177	0	0	0	109.5	L44 V46 F94 L96 V102 F106 L107	L44-L78 HydrophobicContact CB-CD2 4.12Å; V46-L78 HydrophobicContact CG2-CB 3.79Å; V46-L78 HydrophobicContact CG2-CD1 4.21Å; V46-L78 HydrophobicContact CG2-CD2 3.99Å; V46-L78 HydrophobicContact CG2-CG 4.21Å; L78-F94 HydrophobicContact CD1-CD2 4.26Å; L78-F94 HydrophobicContact CD1-CE2 4.5Å; L78-L96 HydrophobicContact CD1-CD1 4.16Å; L78-L96 HydrophobicContact CD1-CD2 4.44Å; L78-V102 HydrophobicContact CD1-CG1 4.18Å; L78-V102 HydrophobicContact CG-CG1 4.08Å; L78-F106 HydrophobicContact CB-CD1 3.84Å; L78-F106 HydrophobicContact CB-CE1 3.94Å; L78-F106 HydrophobicContact CD1-CE1 3.99Å; L78-F106 WeakPolarHBondContact O-CA 3.41Å; L78-L107 PolarHBondContact O-N 2.93Å
79	V	88.8	Confident	75.6	Confident	6 Å²	6	72.1 Å²	72.1	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120	-172.9	-174.5	0	0	0	0	109.1	Y43 L44 E45 V46 L107 L112 L121	Y43-V79 HydrophobicContact CD1-CG2 4.16Å; L44-V79 PolarHBondContact O-N 3.42Å; E45-V79 CarbonylContact C-O 3.51Å; V46-V79 PolarHBondContact N-O 2.9Å; V79-L107 WeakPolarHBondContact CA-O 3.3Å; V79-L112 HydrophobicContact CG1-CD1 3.96Å; V79-L112 HydrophobicContact CG1-CD2 4.07Å; V79-L112 HydrophobicContact CG1-CG 4.33Å; V79-L112 HydrophobicContact CG2-CD2 3.68Å; V79-L121 HydrophobicContact CB-CD1 3.65Å; V79-L121 HydrophobicContact CG1-CD1 4.07Å; V79-L121 HydrophobicContact CG2-CD1 3.76Å
80	R	83.9	Confident	73.6	Confident	31 Å²	31	79.6 Å²	79.6	12%	0.117	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.3	178.9	-166.8	-178.8	-173.5	158.2	3.9	110.3	S48 D82 N84 K86 L107 P109	S48-R80 PolarHBondContact OG-NH2 3.48Å; R80-D82 HydrophobicContact CG-CB 4.38Å; R80-N84 PolarHBondContact NH1-O 3.09Å; R80-K86 PolarHBondContact NH1-O 3.36Å; R80-L107 PolarHBondContact N-O 3.44Å; R80-P109 WeakPolarHBondContact O-CD 3.41Å; R80-P109 WeakPolarHBondContact O-CG 3.35Å
81	R	69.5	Low	71.5	Confident	167 Å²	167	80.3 Å²	80.3	63%	0.63	40%	0.397	S	S	*	.			trans	-74.5	-30.1	175.3	-155.8	-171.3	-170.4	133.3	-10.5	113.3	E45 V46	E45-R81 WeakPolarHBondContact OE1-CD 3.43Å; E45-R81 WeakPolarHBondContact OE1-CG 3.48Å; E45-R81 IonicContact OE1-CZ 3.54Å; E45-R81 IonicContact OE1-NE 3.01Å; E45-R81 IonicContact OE1-NH1 3.35Å; E45-R81 PolarHBondContact OE1-NH1 3.25Å; E45-R81 IonicContact OE2-NH1 2.69Å; V46-R81 PolarHBondContact O-N 3.19Å
82	D	65.3	Low	69.8	Low	64 Å²	64	83.1 Å²	83.1	34%	0.342	41%	0.409	S	S	.	.	S	Bend	trans	-86.7	136.5	-171.5	-55.8	-37.2	0	0	0	112.7	S48 R80 N84	S48-D82 WeakPolarHBondContact CB-OD2 3.36Å; S48-D82 PolarHBondContact N-OD2 3.45Å; S48-D82 PolarHBondContact OG-OD2 2.85Å; R80-D82 HydrophobicContact CG-CB 4.38Å; D82-N84 PolarHBondContact O-N 3.02Å; D82-N84 VanDerWaalsContact O-N 3.16Å
83	S	54	Low	68.4	Low	121 Å²	121	83.2 Å²	83.2	85%	0.846	41%	0.406	S	S	*	.			trans	-70.9	-5.4	-178.7	-24.5	0	0	0	0	114.2	N85	S83-N85 PolarHBondContact O-N 2.94Å
84	N	54.7	Low	67.3	Low	109 Å²	109	83.7 Å²	83.7	58%	0.583	41%	0.405	S	S	*	.			trans	-78.6	105.1	-178.4	-93.1	-12.2	0	0	0	110.4	R80 D82 K86	R80-N84 PolarHBondContact NH1-O 3.09Å; D82-N84 PolarHBondContact O-N 3.02Å; D82-N84 VanDerWaalsContact O-N 3.16Å; N84-K86 PolarHBondContact O-N 2.88Å
85	N	50.2	Low	66	Low	161 Å²	161	90.7 Å²	90.7	86%	0.861	44%	0.438	S	S	*	.			trans	-65.4	17	177.5	-102	-4.4	0	0	0	115.4	S83 R87	S83-N85 PolarHBondContact O-N 2.94Å; N85-R87 PolarHBondContact O-N 3.33Å
86	K	55	Low	65.1	Low	144 Å²	144	88.7 Å²	88.7	63%	0.626	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-75.4	117.7	175.4	-70.4	-173.5	-177.6	176.7	0	109	R80 N84 F88	R80-K86 PolarHBondContact NH1-O 3.36Å; N84-K86 PolarHBondContact O-N 2.88Å; K86-F88 PolarHBondContact O-N 3.09Å
87	R	53.9	Low	64.1	Low	212 Å²	212	88.8 Å²	88.8	80%	0.8	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-55.5	132.2	173.1	-131.4	174.8	-174.7	178.7	-0.3	108.9	N85 D105	N85-R87 PolarHBondContact O-N 3.33Å; R87-D105 IonicContact NH2-OD1 3.87Å
88	F	55.1	Low	62.8	Low	25 Å²	25	97 Å²	97	11%	0.11	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-61.8	135.6	168.9	-70.6	-70.8	0	0	0	108.4	P53 K86 F106	P53-F88 HydrophobicContact CB-CD1 3.77Å; P53-F88 HydrophobicContact CB-CD2 4.4Å; P53-F88 HydrophobicContact CB-CE1 3.51Å; P53-F88 HydrophobicContact CB-CE2 4.16Å; P53-F88 HydrophobicContact CB-CG 4.22Å; P53-F88 HydrophobicContact CB-CZ 3.72Å; P53-F88 HydrophobicContact CG-CD1 3.8Å; P53-F88 HydrophobicContact CG-CE1 3.99Å; P53-F88 HydrophobicContact CG-CG 4.3Å; K86-F88 PolarHBondContact O-N 3.09Å; F88-F106 HydrophobicContact CB-CE2 4.4Å; F88-F106 AromaticContact CD2-CD2 3.93Å; F88-F106 HydrophobicContact CD2-CD2 3.93Å; F88-F106 HydrophobicContact CD2-CE1 4.3Å; F88-F106 AromaticContact CD2-CE2 3.61Å; F88-F106 HydrophobicContact CD2-CE2 3.61Å; F88-F106 HydrophobicContact CD2-CG 4.4Å; F88-F106 AromaticContact CD2-CZ 3.81Å; F88-F106 HydrophobicContact CD2-CZ 3.81Å; F88-F106 HydrophobicContact CE2-CE1 4.35Å; F88-F106 HydrophobicContact CE2-CE2 4.41Å; F88-F106 HydrophobicContact CE2-CZ 4.29Å; F88-F106 HydrophobicContact CG-CE2 4.44Å
89	P	51.7	Low	61.6	Low	70 Å²	70	99.3 Å²	99.3	46%	0.455	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-54.2	141.5	171.6	-21.3	30.5	0	0	0	110.8	S91 Q92	P89-S91 PolarHBondContact O-N 2.96Å; P89-Q92 PolarHBondContact O-N 3.47Å
90	E	50.3	Low	60.9	Low	157 Å²	157	99.9 Å²	99.9	73%	0.734	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-56.6	-20.3	178.7	-70.4	-178.2	156.5	0	0	113.4
91	S	47.5	Very low	60.3	Low	111 Å²	111	101.8 Å²	101.8	78%	0.776	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-80.5	-5.2	177.4	58.5	0	0	0	0	115.2	P89	P89-S91 PolarHBondContact O-N 2.96Å
92	Q	53.6	Low	60.6	Low	62 Å²	62	95.1 Å²	95.1	29%	0.29	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-111.4	27.3	179.7	-70.4	-179.2	-19.6	0	0	112.4	P53 P89	P53-Q92 HydrophobicContact CG-CB 3.85Å; P53-Q92 VanDerWaalsContact CG-O 3.27Å; P53-Q92 WeakPolarHBondContact CG-O 3.32Å; P89-Q92 PolarHBondContact O-N 3.47Å
93	R	59.3	Low	60.8	Low	156 Å²	156	93.4 Å²	93.4	59%	0.589	48%	0.478	S	S	*	.			trans	-68.5	133.8	176.8	-77.4	-179.2	164.1	145.5	-3.4	110.3
94	F	65.6	Low	61.2	Low	33 Å²	33	93.4 Å²	93.4	15%	0.145	47%	0.468	C	S	.	.			trans	-58.2	148.5	171.2	-59.5	-70.9	0	0	0	110.8	V46 P53 L55 L78 L96 F106	V46-F94 HydrophobicContact CG1-CE2 3.68Å; V46-F94 HydrophobicContact CG1-CZ 3.44Å; V46-F94 VanDerWaalsContact CG1-CZ 3.44Å; V46-F94 HydrophobicContact CG2-CE2 4.15Å; V46-F94 HydrophobicContact CG2-CZ 4.42Å; P53-F94 VanDerWaalsContact C-CE1 3.45Å; P53-F94 HydrophobicContact CB-CE1 3.9Å; P53-F94 HydrophobicContact CB-CE2 3.97Å; P53-F94 HydrophobicContact CB-CZ 3.39Å; P53-F94 HydrophobicContact CG-CE1 4.46Å; P53-F94 HydrophobicContact CG-CZ 4.29Å; P53-F94 VanDerWaalsContact O-CE1 3.31Å; P53-F94 WeakPolarHBondContact O-CE1 3.43Å; L55-F94 HydrophobicContact CD1-CB 4.38Å; L55-F94 HydrophobicContact CD1-CD1 4.02Å; L55-F94 HydrophobicContact CD1-CG 4.24Å; L55-F94 HydrophobicContact CD2-CD1 3.77Å; L55-F94 HydrophobicContact CD2-CD2 3.92Å; L55-F94 HydrophobicContact CD2-CE1 3.62Å; L55-F94 HydrophobicContact CD2-CE2 3.78Å; L55-F94 HydrophobicContact CD2-CG 3.89Å; L55-F94 HydrophobicContact CD2-CZ 3.57Å; L55-F94 HydrophobicContact CG-CD1 3.54Å; L55-F94 HydrophobicContact CG-CE1 3.57Å; L55-F94 HydrophobicContact CG-CG 4.04Å; L55-F94 HydrophobicContact CG-CZ 4.07Å; L78-F94 HydrophobicContact CD1-CD2 4.26Å; L78-F94 HydrophobicContact CD1-CE2 4.5Å; F94-L96 VanDerWaalsContact C-N 3.26Å; F94-L96 HydrophobicContact CB-CD1 4.44Å; F94-L96 HydrophobicContact CB-CD2 4.26Å; F94-L96 HydrophobicContact CB-CG 3.93Å; F94-L96 PolarHBondContact O-N 3.38Å; F94-F106 HydrophobicContact CE2-CE1 4.02Å; F94-F106 HydrophobicContact CE2-CZ 4.07Å
95	H	64.5	Low	61.8	Low	152 Å²	152	93.1 Å²	93.1	70%	0.704	47%	0.467	S	S	*	.			trans	-68.6	91.1	161.8	-72.6	-75.9	0	0	0	108.2
96	L	72.7	Confident	63	Low	47 Å²	47	89 Å²	89	25%	0.246	44%	0.442	C	S	.	.			trans	-95.8	141.7	174.8	-66	163	0	0	0	108.4	L63 L78 F94 E98 V102	L63-L96 HydrophobicContact CD1-CD2 3.79Å; L63-L96 HydrophobicContact CD2-CD2 4.28Å; L78-L96 HydrophobicContact CD1-CD1 4.16Å; L78-L96 HydrophobicContact CD1-CD2 4.44Å; F94-L96 VanDerWaalsContact C-N 3.26Å; F94-L96 HydrophobicContact CB-CD1 4.44Å; F94-L96 HydrophobicContact CB-CD2 4.26Å; F94-L96 HydrophobicContact CB-CG 3.93Å; F94-L96 PolarHBondContact O-N 3.38Å; L96-E98 PolarHBondContact O-N 3.33Å; L96-E98 VanDerWaalsContact O-N 3.16Å; L96-V102 HydrophobicContact CD1-CB 4.37Å; L96-V102 HydrophobicContact CD1-CG1 3.98Å; L96-V102 HydrophobicContact CD1-CG2 4.47Å
97	P	69.7	Low	64.2	Low	3 Å²	3	84.2 Å²	84.2	2%	0.019	42%	0.422	C	S	.	.			trans	-56.3	121.9	174.8	-26	34	0	0	0	111.1	S99 L100 D351	P97-S99 PolarHBondContact O-N 3.3Å; P97-S99 VanDerWaalsContact O-N 3.09Å; P97-L100 HydrophobicContact CB-CD1 3.77Å; P97-L100 HydrophobicContact CB-CG 3.93Å; P97-L100 HydrophobicContact CG-CD1 3.71Å; P97-L100 HydrophobicContact CG-CG 4.43Å; P97-L100 PolarHBondContact O-N 3.49Å; P97-D351 WeakPolarHBondContact CA-O 3.34Å; P97-D351 HydrophobicContact CB-CB 4.02Å; P97-D351 HydrophobicContact CG-CB 4.18Å
98	E	64.3	Low	65.5	Low	202 Å²	202	76.2 Å²	76.2	94%	0.944	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.1	-178.1	-64.3	-174.4	169.3	0	0	112.8	L96 L100	L96-E98 PolarHBondContact O-N 3.33Å; L96-E98 VanDerWaalsContact O-N 3.16Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 3.45Å
99	S	63.6	Low	66.6	Low	53 Å²	53	76.9 Å²	76.9	37%	0.371	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.4	179.2	60.7	0	0	0	0	114	P97	P97-S99 PolarHBondContact O-N 3.3Å; P97-S99 VanDerWaalsContact O-N 3.09Å
100	L	74.1	Confident	68	Low	17 Å²	17	80 Å²	80	9%	0.089	41%	0.414	C	S	.	.	S	Bend	trans	-95.2	136.6	-176.6	-65.1	175.9	0	0	0	112.7	L63 L66 S71 P97 E98 V102	L63-L100 HydrophobicContact CD2-CD1 4.15Å; L66-L100 HydrophobicContact CB-CD1 3.82Å; L66-L100 HydrophobicContact CB-CD2 3.77Å; L66-L100 HydrophobicContact CB-CG 4.46Å; L66-L100 HydrophobicContact CD1-CD1 4.18Å; L66-L100 HydrophobicContact CD1-CD2 4.43Å; L66-L100 HydrophobicContact CG-CD2 4.49Å; S71-L100 WeakPolarHBondContact O-CD2 3.43Å; P97-L100 HydrophobicContact CB-CD1 3.77Å; P97-L100 HydrophobicContact CB-CG 3.93Å; P97-L100 HydrophobicContact CG-CD1 3.71Å; P97-L100 HydrophobicContact CG-CG 4.43Å; P97-L100 PolarHBondContact O-N 3.49Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 3.45Å; L100-V102 HydrophobicContact CB-CG2 3.82Å; L100-V102 PolarHBondContact O-N 3.36Å
101	S	73	Confident	69.5	Low	72 Å²	72	75 Å²	75	50%	0.503	41%	0.405	S	S	.	.			trans	-74	73.9	169	176.2	0	0	0	0	109.9	V76	V76-S101 PolarHBondContact N-O 3.19Å
102	V	75.3	Confident	71.5	Confident	27 Å²	27	70.8 Å²	70.8	16%	0.164	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-91	128.3	173.7	-169.6	0	0	0	0	108.9	V76 L78 L96 L100 D104	V76-V102 HydrophobicContact CB-CG2 4.2Å; V76-V102 HydrophobicContact CG1-CG1 4.5Å; V76-V102 HydrophobicContact CG1-CG2 4.49Å; L78-V102 HydrophobicContact CD1-CG1 4.18Å; L78-V102 HydrophobicContact CG-CG1 4.08Å; L96-V102 HydrophobicContact CD1-CB 4.37Å; L96-V102 HydrophobicContact CD1-CG1 3.98Å; L96-V102 HydrophobicContact CD1-CG2 4.47Å; L100-V102 HydrophobicContact CB-CG2 3.82Å; L100-V102 PolarHBondContact O-N 3.36Å; V102-D104 PolarHBondContact O-N 2.65Å
103	C	69.8	Low	73.3	Confident	27 Å²	27	69.8 Å²	69.8	18%	0.182	37%	0.373	C	S	.	.			trans	-71.8	126	173.1	-62.8	0	0	0	0	109.8	K75 V76 F77 D105	K75-C103 WeakPolarHBondContact CE-SG 3.28Å; V76-C103 PolarHBondContact O-N 3.33Å; F77-C103 HydrophobicContact CD1-CB 3.88Å; F77-C103 HydrophobicContact CE1-CB 4.07Å; F77-C103 WeakPolarHBondContact CE1-SG 3.48Å; C103-D105 PolarHBondContact O-N 3.48Å
104	D	61.7	Low	74.7	Confident	121 Å²	121	69.1 Å²	69.1	65%	0.647	37%	0.37	S	S	*	.	S	Bend	trans	-64.4	-23.3	-179.6	-72.1	-51.1	0	0	0	113.5	V102	V102-D104 PolarHBondContact O-N 2.65Å
105	D	66.8	Low	76	Confident	104 Å²	104	68.5 Å²	68.5	56%	0.556	37%	0.368	S	S	*	.	S	Bend	trans	-88.5	120.8	179.2	-70.8	-43.5	0	0	0	111.2	R87 C103 L107	R87-D105 IonicContact NH2-OD1 3.87Å; C103-D105 PolarHBondContact O-N 3.48Å; D105-L107 PolarHBondContact O-N 2.81Å
106	F	74.9	Confident	77.4	Confident	74 Å²	74	61.3 Å²	61.3	33%	0.325	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-65.1	129.6	170.3	-66.2	-85.2	0	0	0	110.5	V46 L78 F88 F94	V46-F106 HydrophobicContact CB-CE1 4.46Å; V46-F106 HydrophobicContact CG1-CE1 4.22Å; V46-F106 HydrophobicContact CG2-CE1 4.27Å; L78-F106 HydrophobicContact CB-CD1 3.84Å; L78-F106 HydrophobicContact CB-CE1 3.94Å; L78-F106 HydrophobicContact CD1-CE1 3.99Å; L78-F106 WeakPolarHBondContact O-CA 3.41Å; F88-F106 HydrophobicContact CB-CE2 4.4Å; F88-F106 AromaticContact CD2-CD2 3.93Å; F88-F106 HydrophobicContact CD2-CD2 3.93Å; F88-F106 HydrophobicContact CD2-CE1 4.3Å; F88-F106 AromaticContact CD2-CE2 3.61Å; F88-F106 HydrophobicContact CD2-CE2 3.61Å; F88-F106 HydrophobicContact CD2-CG 4.4Å; F88-F106 AromaticContact CD2-CZ 3.81Å; F88-F106 HydrophobicContact CD2-CZ 3.81Å; F88-F106 HydrophobicContact CE2-CE1 4.35Å; F88-F106 HydrophobicContact CE2-CE2 4.41Å; F88-F106 HydrophobicContact CE2-CZ 4.29Å; F88-F106 HydrophobicContact CG-CE2 4.44Å; F94-F106 HydrophobicContact CE2-CE1 4.02Å; F94-F106 HydrophobicContact CE2-CZ 4.07Å
107	L	81	Confident	78.3	Confident	43 Å²	43	65 Å²	65	23%	0.225	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-84.8	138.8	173.8	-65.4	-176.6	0	0	0	110.9	Y43 F77 L78 V79 R80 D105 L112	Y43-L107 HydrophobicContact CD1-CD1 4.18Å; Y43-L107 HydrophobicContact CE1-CD1 3.83Å; F77-L107 HydrophobicContact CB-CD1 3.76Å; F77-L107 HydrophobicContact CB-CG 4.4Å; F77-L107 HydrophobicContact CD1-CD1 3.52Å; F77-L107 HydrophobicContact CD1-CG 4.02Å; F77-L107 HydrophobicContact CE1-CD1 4.29Å; F77-L107 HydrophobicContact CG-CD1 3.81Å; L78-L107 PolarHBondContact O-N 2.93Å; V79-L107 WeakPolarHBondContact CA-O 3.3Å; R80-L107 PolarHBondContact N-O 3.44Å; D105-L107 PolarHBondContact O-N 2.81Å; L107-L112 HydrophobicContact CD1-CD2 4.41Å
108	S	80.5	Confident	79.4	Confident	44 Å²	44	65.1 Å²	65.1	31%	0.308	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-79.1	156.4	165.1	86.3	0	0	0	0	110.5	E110 G111	S108-E110 WeakPolarHBondContact CB-OE2 3.14Å; S108-E110 PolarHBondContact O-N 2.78Å; S108-E110 VanDerWaalsContact O-N 3.09Å; S108-E110 PolarHBondContact OG-N 2.87Å; S108-E110 PolarHBondContact OG-OE2 3.21Å; S108-G111 PolarHBondContact O-N 3.29Å
109	P	79.9	Confident	80.8	Confident	40 Å²	40	56 Å²	56	26%	0.26	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-57.3	-23.6	177.5	-26.8	36.7	0	0	0	114.3	R80	R80-P109 WeakPolarHBondContact O-CD 3.41Å; R80-P109 WeakPolarHBondContact O-CG 3.35Å
110	E	80.9	Confident	82.2	Confident	134 Å²	134	60.8 Å²	60.8	63%	0.626	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-75.8	-27.2	177.7	-59	69.3	-146.7	0	0	112.9	S108 L112	S108-E110 WeakPolarHBondContact CB-OE2 3.14Å; S108-E110 PolarHBondContact O-N 2.78Å; S108-E110 VanDerWaalsContact O-N 3.09Å; S108-E110 PolarHBondContact OG-N 2.87Å; S108-E110 PolarHBondContact OG-OE2 3.21Å; E110-L112 PolarHBondContact O-N 3.16Å
111	G	81.9	Confident	83.2	Confident	52 Å²	52	61.2 Å²	61.2	54%	0.536	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-79.5	-3.1	177	0	0	0	0	0	114.1	S108	S108-G111 PolarHBondContact O-N 3.29Å
112	L	88.6	Confident	84.4	Confident	23 Å²	23	57.9 Å²	57.9	12%	0.12	30%	0.298	C	S	.	.	S	Bend	trans	-76.7	144.7	-177.8	-63.7	176.8	0	0	0	112.5	Y43 V79 L107 E110 V116 K117	Y43-L112 HydrophobicContact CD1-CD2 3.57Å; Y43-L112 HydrophobicContact CE1-CD2 3.98Å; Y43-L112 HydrophobicContact CG-CD2 4.35Å; V79-L112 HydrophobicContact CG1-CD1 3.96Å; V79-L112 HydrophobicContact CG1-CD2 4.07Å; V79-L112 HydrophobicContact CG1-CG 4.33Å; V79-L112 HydrophobicContact CG2-CD2 3.68Å; L107-L112 HydrophobicContact CD1-CD2 4.41Å; E110-L112 PolarHBondContact O-N 3.16Å; L112-V116 HydrophobicContact CB-CB 4.47Å; L112-V116 HydrophobicContact CB-CG1 4.47Å; L112-V116 HydrophobicContact CD1-CG1 4.27Å; L112-V116 HydrophobicContact CD2-CG1 4.24Å; L112-K117 HydrophobicContact CB-CB 4.25Å
113	P	91	Very high	85.4	Confident	42 Å²	42	56.6 Å²	56.6	27%	0.273	29%	0.29	S	S	.	.			trans	-54.5	144.1	167.3	-22.6	32.2	0	0	0	111.4	Y43 L115 V116 K117	Y43-P113 HydrophobicContact CE1-CG 4.47Å; Y43-P113 HydrophobicContact CE2-CG 4.18Å; Y43-P113 VanDerWaalsContact OH-CG 3.26Å; Y43-P113 WeakPolarHBondContact OH-CG 3.33Å; P113-L115 VanDerWaalsContact C-N 3.26Å; P113-L115 PolarHBondContact O-N 2.96Å; P113-L115 VanDerWaalsContact O-N 3.12Å; P113-V116 HydrophobicContact CB-CB 4.47Å; P113-V116 HydrophobicContact CB-CG2 4.1Å; P113-V116 HydrophobicContact CG-CG2 4.14Å; P113-V116 WeakPolarHBondContact O-CA 3.47Å; P113-V116 WeakPolarHBondContact O-CB 3.4Å; P113-V116 PolarHBondContact O-N 3.39Å; P113-K117 PolarHBondContact O-N 3.41Å
114	R	88.7	Confident	86.7	Confident	141 Å²	141	55.3 Å²	55.3	53%	0.532	28%	0.282	S	S	.	.	H	α-helix	trans	-51.5	-41.7	-175.2	-175	179	176.8	-177.7	1.5	113.4	G118 T466	R114-G118 PolarHBondContact O-N 3.11Å; R114-T466 PolarHBondContact NH2-OG1 3.43Å
115	L	92.3	Very high	88.2	Confident	20 Å²	20	49.9 Å²	49.9	11%	0.105	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-38.8	178.4	-68.6	176.9	0	0	0	112.5	P113 G118 C119 R130 C132 I491	P113-L115 VanDerWaalsContact C-N 3.26Å; P113-L115 PolarHBondContact O-N 2.96Å; P113-L115 VanDerWaalsContact O-N 3.12Å; L115-G118 PolarHBondContact O-N 2.95Å; L115-C119 PolarHBondContact O-SG 3.1Å; L115-R130 VanDerWaalsContact CD1-O 3.25Å; L115-R130 WeakPolarHBondContact CD1-O 3.11Å; L115-C132 HydrophobicContact CB-CB 3.77Å; L115-C132 HydrophobicContact CD1-CB 4.18Å; L115-I491 HydrophobicContact CD2-CD1 4.46Å; L115-I491 HydrophobicContact CD2-CG1 4.42Å; L115-I491 HydrophobicContact CD2-CG2 4.39Å
116	V	94.5	Very high	89.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-69.6	-41.9	177.8	-179.6	0	0	0	0	110.7	Y43 L112 P113 G118 C119 L121 A123 V125	Y43-V116 HydrophobicContact CD1-CG1 4.5Å; Y43-V116 HydrophobicContact CD2-CG1 4.01Å; Y43-V116 HydrophobicContact CD2-CG2 3.77Å; Y43-V116 HydrophobicContact CE2-CG2 3.86Å; Y43-V116 HydrophobicContact CG-CG1 3.91Å; Y43-V116 HydrophobicContact CG-CG2 4.46Å; L112-V116 HydrophobicContact CB-CB 4.47Å; L112-V116 HydrophobicContact CB-CG1 4.47Å; L112-V116 HydrophobicContact CD1-CG1 4.27Å; L112-V116 HydrophobicContact CD2-CG1 4.24Å; P113-V116 HydrophobicContact CB-CB 4.47Å; P113-V116 HydrophobicContact CB-CG2 4.1Å; P113-V116 HydrophobicContact CG-CG2 4.14Å; P113-V116 WeakPolarHBondContact O-CA 3.47Å; P113-V116 WeakPolarHBondContact O-CB 3.4Å; P113-V116 PolarHBondContact O-N 3.39Å; V116-G118 PolarHBondContact O-N 2.91Å; V116-C119 PolarHBondContact O-N 3.28Å; V116-L121 HydrophobicContact CG1-CD2 3.74Å; V116-A123 HydrophobicContact CG1-CB 4.08Å; V116-V125 HydrophobicContact CG2-CG2 3.1Å
117	K	92.3	Very high	90	Very high	124 Å²	124	46.3 Å²	46.3	54%	0.539	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-30.2	177.1	-169	175.2	-175.4	174.9	0	112.5	L112 P113 C119	L112-K117 HydrophobicContact CB-CB 4.25Å; P113-K117 PolarHBondContact O-N 3.41Å; K117-C119 VanDerWaalsContact C-N 3.26Å; K117-C119 PolarHBondContact O-N 3.37Å
118	G	91.9	Very high	90.3	Very high	6 Å²	6	47 Å²	47	6%	0.062	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.9	174.4	0	0	0	0	0	114.8	R114 L115 V116 F525 T526 G527	R114-G118 PolarHBondContact O-N 3.11Å; L115-G118 PolarHBondContact O-N 2.95Å; V116-G118 PolarHBondContact O-N 2.91Å; G118-F525 CarbonylContact O-C 3.56Å; G118-F525 WeakPolarHBondContact O-CA 3.44Å; G118-F525 WeakPolarHBondContact O-CD2 3.26Å; G118-T526 PolarHBondContact O-N 3.09Å; G118-G527 PolarHBondContact O-N 3.2Å
119	C	94.6	Very high	90.6	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.074	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-126.1	150.7	-176.5	-60.7	0	0	0	0	112.1	L115 V116 K117 A134 L518 Y524	L115-C119 PolarHBondContact O-SG 3.1Å; V116-C119 PolarHBondContact O-N 3.28Å; K117-C119 VanDerWaalsContact C-N 3.26Å; K117-C119 PolarHBondContact O-N 3.37Å; C119-A134 HydrophobicContact CB-CB 3.72Å; C119-L518 WeakPolarHBondContact SG-CD1 3.42Å; C119-L518 VanDerWaalsContact SG-CD2 3.59Å; C119-Y524 CarbonylContact C-O 3.57Å; C119-Y524 VanDerWaalsContact CA-O 3.22Å; C119-Y524 WeakPolarHBondContact CA-O 3.17Å
120	R	93.7	Very high	91.1	Very high	154 Å²	154	48.5 Å²	48.5	58%	0.581	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-72.1	139.5	161.4	-56.5	179.3	-175.8	-147.1	-0.8	109.2	Y524 T526	R120-Y524 HydrophobicContact CB-CD1 4.01Å; R120-Y524 PolarHBondContact N-O 3.06Å; R120-T526 HydrophobicContact CG-CG2 3.82Å
121	L	94.8	Very high	91.7	Very high	26 Å²	26	42.4 Å²	42.4	14%	0.136	22%	0.221	C	C	.	.	S	Bend	trans	-76.2	151.4	175.9	-59.6	-176.5	0	0	0	110.2	E45 V79 V116 A123	E45-L121 HydrophobicContact CB-CB 4.12Å; E45-L121 HydrophobicContact CB-CD1 4.08Å; V79-L121 HydrophobicContact CB-CD1 3.65Å; V79-L121 HydrophobicContact CG1-CD1 4.07Å; V79-L121 HydrophobicContact CG2-CD1 3.76Å; V116-L121 HydrophobicContact CG1-CD2 3.74Å; L121-A123 HydrophobicContact CD2-CB 3.83Å
122	P	96.6	Very high	92.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.195	C	C	.	.	S	Bend	cis	-76.4	149	7.4	33	-37.1	0	0	0	113.3	Y43 L44 V62 G135 L136 V139	Y43-P122 WeakPolarHBondContact O-CA 3.48Å; L44-P122 HydrophobicContact CD2-CB 3.69Å; V62-P122 HydrophobicContact CG2-CB 4.05Å; V62-P122 HydrophobicContact CG2-CG 4.01Å; P122-G135 PolarHBondContact O-N 3.12Å; P122-L136 HydrophobicContact CG-CB 4.5Å; P122-L136 HydrophobicContact CG-CD1 4.17Å; P122-V139 HydrophobicContact CB-CG1 4.31Å; P122-V139 HydrophobicContact CB-CG2 4.35Å; P122-V139 HydrophobicContact CG-CB 4.34Å; P122-V139 HydrophobicContact CG-CG2 4.35Å
123	A	97.2	Very high	92.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.6	175.6	0	0	0	0	0	111.6	Y43 V116 L121 R133 A134	Y43-A123 PolarHBondContact N-O 2.95Å; Y43-A123 PolarHBondContact O-N 3.08Å; Y43-A123 VanDerWaalsContact O-N 3.11Å; V116-A123 HydrophobicContact CG1-CB 4.08Å; L121-A123 HydrophobicContact CD2-CB 3.83Å; A123-R133 CarbonylContact C-O 3.44Å; A123-R133 VanDerWaalsContact CA-O 3.28Å; A123-R133 WeakPolarHBondContact CA-O 3.39Å; A123-A134 HydrophobicContact CB-CB 4.2Å
124	A	96.4	Very high	93	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.4	176.1	0	0	0	0	0	110.3	C41 L42 F74 C132 R133	C41-A124 CarbonylContact O-C 3.58Å; C41-A124 VanDerWaalsContact O-CA 3.31Å; C41-A124 WeakPolarHBondContact O-CA 3.22Å; L42-A124 HydrophobicContact CD1-CB 3.9Å; F74-A124 HydrophobicContact CE1-CB 4.41Å; A124-C132 CarbonylContact O-C 3.6Å; A124-C132 WeakPolarHBondContact O-CA 3.48Å; A124-R133 HydrophobicContact CB-CB 4.48Å; A124-R133 PolarHBondContact N-O 3.39Å; A124-R133 PolarHBondContact O-N 3.43Å
125	V	94.8	Very high	93.3	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.036	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.5	178.1	-170.6	0	0	0	0	109.6	P40 C41 Y43 V116 L131 C132	P40-V125 CarbonylContact C-O 3.57Å; P40-V125 VanDerWaalsContact CA-O 3.29Å; P40-V125 WeakPolarHBondContact CA-O 3.41Å; P40-V125 VanDerWaalsContact CB-O 3.3Å; P40-V125 WeakPolarHBondContact CB-O 3.42Å; C41-V125 PolarHBondContact N-O 3.38Å; C41-V125 PolarHBondContact O-N 3.02Å; Y43-V125 HydrophobicContact CD2-CG2 4.26Å; Y43-V125 HydrophobicContact CE2-CB 4.34Å; Y43-V125 HydrophobicContact CE2-CG2 3.82Å; V116-V125 HydrophobicContact CG2-CG2 3.1Å; V125-L131 WeakPolarHBondContact CA-O 3.25Å; V125-C132 HydrophobicContact CG2-CB 4.46Å
126	D	91.5	Very high	93.5	Very high	21 Å²	21	30.2 Å²	30.2	11%	0.112	15%	0.15	C	C	.	.			trans	-66.9	168.5	172.8	77.3	-22.7	0	0	0	112.5	S128 G129 R130 L131 Q504	D126-S128 PolarHBondContact O-N 2.96Å; D126-S128 VanDerWaalsContact O-N 3.14Å; D126-S128 PolarHBondContact OD1-N 3.14Å; D126-S128 PolarHBondContact OD1-OG 2.68Å; D126-S128 PolarHBondContact OD2-OG 3.32Å; D126-G129 PolarHBondContact O-N 3.44Å; D126-G129 PolarHBondContact OD1-N 3.28Å; D126-R130 PolarHBondContact OD1-N 3.4Å; D126-L131 HydrophobicContact CB-CB 4.21Å; D126-L131 PolarHBondContact N-O 3.15Å; D126-L131 PolarHBondContact OD1-N 2.86Å; D126-Q504 PolarHBondContact OD2-NE2 2.88Å
127	E	87.8	Confident	93.5	Very high	82 Å²	82	30.4 Å²	30.4	38%	0.383	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.9	178.7	-57.4	84.2	169.8	0	0	112	L38 G129 R146	L38-E127 HydrophobicContact CB-CB 3.87Å; L38-E127 HydrophobicContact CB-CG 3.65Å; L38-E127 WeakPolarHBondContact O-CG 3.37Å; E127-G129 VanDerWaalsContact C-N 3.33Å; E127-R146 IonicContact OE1-CZ 2.9Å; E127-R146 IonicContact OE1-NH2 3.5Å; E127-R146 PolarHBondContact OE1-NH2 3.1Å; E127-R146 IonicContact OE2-NH2 3.09Å
128	S	86	Confident	93.7	Very high	57 Å²	57	25.2 Å²	25.2	40%	0.399	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.1	179.7	86	0	0	0	0	113.6	D126 R130	D126-S128 PolarHBondContact O-N 2.96Å; D126-S128 VanDerWaalsContact O-N 3.14Å; D126-S128 PolarHBondContact OD1-N 3.14Å; D126-S128 PolarHBondContact OD1-OG 2.68Å; D126-S128 PolarHBondContact OD2-OG 3.32Å; S128-R130 PolarHBondContact O-N 3.46Å; S128-R130 WeakPolarHBondContact OG-CB 3.08Å; S128-R130 PolarHBondContact OG-N 2.99Å
129	G	87.1	Confident	93.9	Very high	40 Å²	40	24.9 Å²	24.9	41%	0.412	13%	0.128	S	C	.	.	S	Bend	trans	72.3	4	-174.7	0	0	0	0	0	114.2	D126 E127	D126-G129 PolarHBondContact O-N 3.44Å; D126-G129 PolarHBondContact OD1-N 3.28Å; E127-G129 VanDerWaalsContact C-N 3.33Å
130	R	89.6	Confident	94.1	Very high	76 Å²	76	24.4 Å²	24.4	29%	0.287	12%	0.124	S	C	.	.	S	Bend	trans	-107.7	-18.9	-171.9	-63.1	-172.2	-65.6	174.6	2.9	113.5	L115 D126 S128 T508 F517	L115-R130 VanDerWaalsContact CD1-O 3.25Å; L115-R130 WeakPolarHBondContact CD1-O 3.11Å; D126-R130 PolarHBondContact OD1-N 3.4Å; S128-R130 PolarHBondContact O-N 3.46Å; S128-R130 WeakPolarHBondContact OG-CB 3.08Å; S128-R130 PolarHBondContact OG-N 2.99Å; R130-T508 PolarHBondContact NH2-OG1 3.3Å; R130-F517 WeakPolarHBondContact O-CD2 3.35Å; R130-F517 PolarHBondContact O-N 3.27Å
131	L	94.3	Very high	94.2	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.031	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.1	175.4	174.8	62.3	0	0	0	109.7	V125 D126 R133 L500 F517	V125-L131 WeakPolarHBondContact CA-O 3.25Å; D126-L131 HydrophobicContact CB-CB 4.21Å; D126-L131 PolarHBondContact N-O 3.15Å; D126-L131 PolarHBondContact OD1-N 2.86Å; L131-R133 VanDerWaalsContact CD2-NH1 3.33Å; L131-L500 HydrophobicContact CD1-CD2 3.54Å; L131-L500 HydrophobicContact CD1-CG 4.18Å; L131-F517 WeakPolarHBondContact CA-O 3.23Å; L131-F517 HydrophobicContact CB-CB 4.41Å; L131-F517 HydrophobicContact CD1-CB 3.64Å
132	C	96.4	Very high	94.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.3	173.2	-174.6	0	0	0	0	109.5	L115 A124 V125 F517 L518 Q519	L115-C132 HydrophobicContact CB-CB 3.77Å; L115-C132 HydrophobicContact CD1-CB 4.18Å; A124-C132 CarbonylContact O-C 3.6Å; A124-C132 WeakPolarHBondContact O-CA 3.48Å; V125-C132 HydrophobicContact CG2-CB 4.46Å; C132-F517 PolarHBondContact N-O 2.96Å; C132-L518 HydrophobicContact CB-CD1 3.8Å; C132-L518 CarbonylContact O-C 3.53Å; C132-L518 VanDerWaalsContact O-CA 3.3Å; C132-L518 WeakPolarHBondContact O-CA 3.49Å; C132-Q519 PolarHBondContact O-N 3.1Å
133	R	96.8	Very high	94.3	Very high	21 Å²	21	17.8 Å²	17.8	8%	0.079	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.6	171.4	-65.1	-172.6	168.2	76.3	-5.6	107.3	A123 A124 L131 V138 V139 H142 E497 Q519	A123-R133 CarbonylContact C-O 3.44Å; A123-R133 VanDerWaalsContact CA-O 3.28Å; A123-R133 WeakPolarHBondContact CA-O 3.39Å; A124-R133 HydrophobicContact CB-CB 4.48Å; A124-R133 PolarHBondContact N-O 3.39Å; A124-R133 PolarHBondContact O-N 3.43Å; L131-R133 VanDerWaalsContact CD2-NH1 3.33Å; R133-V138 HydrophobicContact CB-CG1 4.03Å; R133-V139 WeakPolarHBondContact O-CG2 3.5Å; R133-H142 WeakPolarHBondContact CD-ND1 3.26Å; R133-H142 PolarHBondContact NE-ND1 3.26Å; R133-H142 PolarHBondContact NH1-CE1 3.43Å; R133-E497 IonicContact CZ-OE1 2.76Å; R133-E497 IonicContact NE-OE1 3.85Å; R133-E497 PolarHBondContact NE-OE1 3.44Å; R133-E497 IonicContact NH2-OE1 3.78Å; R133-E497 PolarHBondContact NH2-OE1 2.94Å; R133-Q519 CarbonylContact C-O 3.53Å; R133-Q519 WeakPolarHBondContact CA-O 3.5Å; R133-Q519 HydrophobicContact CG-CB 4.03Å
134	A	96	Very high	94.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146	-175.4	0	0	0	0	0	112	C119 A123 L518 Q519 A520	C119-A134 HydrophobicContact CB-CB 3.72Å; A123-A134 HydrophobicContact CB-CB 4.2Å; A134-L518 HydrophobicContact CB-CD1 3.91Å; A134-Q519 PolarHBondContact N-O 3.33Å; A134-A520 HydrophobicContact CB-CB 3.99Å; A134-A520 WeakPolarHBondContact O-CB 3.39Å
135	G	94.8	Very high	94.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	101.5	146.8	-179.1	0	0	0	0	0	113.8	P122 A137 V138 V139 Y524	P122-G135 PolarHBondContact O-N 3.12Å; G135-A137 PolarHBondContact O-N 2.98Å; G135-V138 PolarHBondContact O-N 2.97Å; G135-V139 WeakPolarHBondContact O-CB 3.39Å; G135-V139 VanDerWaalsContact O-CG2 3.32Å; G135-V139 WeakPolarHBondContact O-CG2 3.39Å; G135-V139 PolarHBondContact O-N 3.04Å; G135-Y524 VanDerWaalsContact CA-CD1 3.46Å; G135-Y524 VanDerWaalsContact CA-CE2 3.44Å
136	L	96	Very high	94.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-56.5	-56.8	-168.2	-172	63.7	0	0	0	111.7	H58 I61 V62 P122 V138 V139 L140 E182 V306 Y524	H58-L136 HydrophobicContact CB-CD1 4.44Å; I61-L136 HydrophobicContact CB-CD1 4.31Å; I61-L136 HydrophobicContact CD1-CD2 3.96Å; I61-L136 HydrophobicContact CG2-CD1 4.06Å; V62-L136 HydrophobicContact CG2-CD1 3.78Å; P122-L136 HydrophobicContact CG-CB 4.5Å; P122-L136 HydrophobicContact CG-CD1 4.17Å; L136-V138 VanDerWaalsContact C-N 3.28Å; L136-V138 PolarHBondContact O-N 3.07Å; L136-V139 PolarHBondContact O-N 2.84Å; L136-L140 HydrophobicContact CD1-CD1 3.8Å; L136-L140 HydrophobicContact CD1-CD2 4.41Å; L136-L140 HydrophobicContact CD1-CG 4.06Å; L136-L140 HydrophobicContact CD2-CD1 4.45Å; L136-L140 HydrophobicContact CG-CD1 3.69Å; L136-L140 HydrophobicContact CG-CG 4.28Å; L136-L140 WeakPolarHBondContact O-CB 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.46Å; L136-L140 PolarHBondContact O-N 2.9Å; L136-E182 HydrophobicContact CB-CG 3.94Å; L136-E182 HydrophobicContact CD2-CG 4.46Å; L136-E182 PolarHBondContact N-OE1 3.17Å; L136-E182 VanDerWaalsContact N-OE1 3.14Å; L136-V306 HydrophobicContact CD2-CG1 4.2Å; L136-Y524 PolarHBondContact N-OH 2.77Å
137	A	95.4	Very high	94.2	Very high	6 Å²	6	21.4 Å²	21.4	5%	0.05	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-38.1	-176.4	0	0	0	0	0	111.8	G135 R141 L168 T178 E182	G135-A137 PolarHBondContact O-N 2.98Å; A137-R141 VanDerWaalsContact O-CB 3.3Å; A137-R141 WeakPolarHBondContact O-CB 3.42Å; A137-R141 WeakPolarHBondContact O-CD 3.45Å; A137-R141 WeakPolarHBondContact O-CG 3.26Å; A137-R141 PolarHBondContact O-N 2.9Å; A137-R141 VanDerWaalsContact O-N 3.09Å; A137-L168 HydrophobicContact CB-CB 4.09Å; A137-T178 HydrophobicContact CB-CG2 4.5Å; A137-E182 PolarHBondContact N-OE1 3.03Å
138	V	95.7	Very high	94.5	Very high	14 Å²	14	18.6 Å²	18.6	9%	0.085	10%	0.1	C	C	.	.	H	α-helix	trans	-65.2	-48.9	178.5	176.7	0	0	0	0	111	R133 G135 L136 H142 Q519	R133-V138 HydrophobicContact CB-CG1 4.03Å; G135-V138 PolarHBondContact O-N 2.97Å; L136-V138 VanDerWaalsContact C-N 3.28Å; L136-V138 PolarHBondContact O-N 3.07Å; V138-H142 WeakPolarHBondContact O-CB 3.5Å; V138-H142 PolarHBondContact O-N 3.48Å; V138-Q519 HydrophobicContact CG1-CB 4.35Å; V138-Q519 HydrophobicContact CG1-CG 3.86Å
139	V	97.2	Very high	94.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.9	-46.3	-179.4	168.7	0	0	0	0	111.3	L42 P122 R133 G135 L136 R141 H142 I143	L42-V139 HydrophobicContact CD1-CG1 3.58Å; P122-V139 HydrophobicContact CB-CG1 4.31Å; P122-V139 HydrophobicContact CB-CG2 4.35Å; P122-V139 HydrophobicContact CG-CB 4.34Å; P122-V139 HydrophobicContact CG-CG2 4.35Å; R133-V139 WeakPolarHBondContact O-CG2 3.5Å; G135-V139 WeakPolarHBondContact O-CB 3.39Å; G135-V139 VanDerWaalsContact O-CG2 3.32Å; G135-V139 WeakPolarHBondContact O-CG2 3.39Å; G135-V139 PolarHBondContact O-N 3.04Å; L136-V139 PolarHBondContact O-N 2.84Å; V139-R141 VanDerWaalsContact C-N 3.35Å; V139-R141 PolarHBondContact O-N 3.26Å; V139-H142 WeakPolarHBondContact O-CA 3.47Å; V139-H142 WeakPolarHBondContact O-CB 3.32Å; V139-H142 PolarHBondContact O-N 3.19Å; V139-H142 VanDerWaalsContact O-N 3.09Å; V139-I143 HydrophobicContact CG1-CD1 3.97Å; V139-I143 WeakPolarHBondContact O-CG1 3.46Å; V139-I143 PolarHBondContact O-N 3.12Å
140	L	97.6	Very high	95	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-43.4	179.5	-66.5	175.5	0	0	0	111.8	I61 V62 L65 L136 H142 I143 I144 L302 V306	I61-L140 HydrophobicContact CG2-CD1 3.74Å; I61-L140 HydrophobicContact CG2-CD2 4.12Å; V62-L140 HydrophobicContact CB-CD2 4.26Å; V62-L140 HydrophobicContact CG2-CD2 3.77Å; L65-L140 HydrophobicContact CB-CD2 3.91Å; L65-L140 HydrophobicContact CD2-CB 3.65Å; L65-L140 HydrophobicContact CD2-CD2 3.4Å; L65-L140 HydrophobicContact CD2-CG 4.06Å; L65-L140 WeakPolarHBondContact CD2-O 3.45Å; L65-L140 HydrophobicContact CG-CD2 4.3Å; L136-L140 HydrophobicContact CD1-CD1 3.8Å; L136-L140 HydrophobicContact CD1-CD2 4.41Å; L136-L140 HydrophobicContact CD1-CG 4.06Å; L136-L140 HydrophobicContact CD2-CD1 4.45Å; L136-L140 HydrophobicContact CG-CD1 3.69Å; L136-L140 HydrophobicContact CG-CG 4.28Å; L136-L140 WeakPolarHBondContact O-CB 3.28Å; L136-L140 WeakPolarHBondContact O-CG 3.46Å; L136-L140 PolarHBondContact O-N 2.9Å; L140-H142 VanDerWaalsContact C-N 3.29Å; L140-H142 PolarHBondContact O-N 2.87Å; L140-I143 PolarHBondContact O-N 2.86Å; L140-I144 PolarHBondContact O-N 2.84Å; L140-I144 VanDerWaalsContact O-N 3.09Å; L140-L302 HydrophobicContact CB-CD1 3.84Å; L140-L302 HydrophobicContact CB-CD2 4.03Å; L140-L302 HydrophobicContact CB-CG 4.49Å; L140-L302 HydrophobicContact CD1-CD1 4.07Å; L140-L302 HydrophobicContact CG-CD1 4.48Å; L140-V306 HydrophobicContact CD1-CG2 3.38Å
141	R	96.5	Very high	95.1	Very high	32 Å²	32	22.8 Å²	22.8	12%	0.121	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-38	174.3	-70.7	171.3	61	79.3	8.9	111.6	A137 V139 I144 I145 L161 K165 C167 L302	A137-R141 VanDerWaalsContact O-CB 3.3Å; A137-R141 WeakPolarHBondContact O-CB 3.42Å; A137-R141 WeakPolarHBondContact O-CD 3.45Å; A137-R141 WeakPolarHBondContact O-CG 3.26Å; A137-R141 PolarHBondContact O-N 2.9Å; A137-R141 VanDerWaalsContact O-N 3.09Å; V139-R141 VanDerWaalsContact C-N 3.35Å; V139-R141 PolarHBondContact O-N 3.26Å; R141-I144 PolarHBondContact O-N 2.9Å; R141-I145 WeakPolarHBondContact O-CD1 3.47Å; R141-I145 VanDerWaalsContact O-CG1 3.25Å; R141-I145 WeakPolarHBondContact O-CG1 3.45Å; R141-I145 PolarHBondContact O-N 3.45Å; R141-L161 HydrophobicContact CB-CD2 4.32Å; R141-L161 HydrophobicContact CG-CD2 4.07Å; R141-K165 PolarHBondContact NH1-O 3.15Å; R141-K165 PolarHBondContact NH2-O 2.92Å; R141-C167 PolarHBondContact NH1-O 3.15Å; R141-L302 HydrophobicContact CG-CD2 3.63Å
142	H	95.8	Very high	95	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.046	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-41.2	175.7	-176.6	57.6	0	0	0	112.3	F74 R133 V138 V139 L140 I144 I145 R146	F74-H142 AromaticContact CE1-CD2 3.67Å; F74-H142 AromaticContact CE1-NE2 3.82Å; F74-H142 AromaticContact CZ-CD2 3.64Å; F74-H142 AromaticContact CZ-NE2 3.9Å; R133-H142 WeakPolarHBondContact CD-ND1 3.26Å; R133-H142 PolarHBondContact NE-ND1 3.26Å; R133-H142 PolarHBondContact NH1-CE1 3.43Å; V138-H142 WeakPolarHBondContact O-CB 3.5Å; V138-H142 PolarHBondContact O-N 3.48Å; V139-H142 WeakPolarHBondContact O-CA 3.47Å; V139-H142 WeakPolarHBondContact O-CB 3.32Å; V139-H142 PolarHBondContact O-N 3.19Å; V139-H142 VanDerWaalsContact O-N 3.09Å; L140-H142 VanDerWaalsContact C-N 3.29Å; L140-H142 PolarHBondContact O-N 2.87Å; H142-I144 VanDerWaalsContact C-N 3.33Å; H142-I144 PolarHBondContact O-N 2.85Å; H142-I145 PolarHBondContact O-N 2.88Å; H142-R146 VanDerWaalsContact CE1-CG 3.42Å; H142-R146 WeakPolarHBondContact CE1-CG 3.41Å; H142-R146 WeakPolarHBondContact O-CB 3.17Å; H142-R146 VanDerWaalsContact O-CG 3.32Å; H142-R146 WeakPolarHBondContact O-CG 3.49Å; H142-R146 PolarHBondContact O-N 3.46Å
143	I	96.5	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-46.7	174.4	-69.6	162.8	0	0	0	110.7	L42 V62 L65 L66 F74 V139 L140 R146 T147	L42-I143 HydrophobicContact CD2-CD1 4.31Å; V62-I143 HydrophobicContact CG1-CD1 3.74Å; L65-I143 HydrophobicContact CD2-CB 4.15Å; L65-I143 HydrophobicContact CD2-CD1 4.49Å; L65-I143 HydrophobicContact CD2-CG2 4.11Å; L65-I143 HydrophobicContact CG-CG2 4.23Å; L66-I143 HydrophobicContact CD2-CD1 4.01Å; L66-I143 HydrophobicContact CD2-CG1 4.15Å; L66-I143 HydrophobicContact CD2-CG2 3.77Å; L66-I143 HydrophobicContact CG-CD1 4.1Å; L66-I143 HydrophobicContact CG-CG2 4.47Å; F74-I143 HydrophobicContact CD2-CG1 4.32Å; F74-I143 HydrophobicContact CE2-CB 4.19Å; F74-I143 HydrophobicContact CE2-CG1 3.78Å; F74-I143 HydrophobicContact CE2-CG2 4.4Å; F74-I143 HydrophobicContact CZ-CG1 3.98Å; V139-I143 HydrophobicContact CG1-CD1 3.97Å; V139-I143 WeakPolarHBondContact O-CG1 3.46Å; V139-I143 PolarHBondContact O-N 3.12Å; L140-I143 PolarHBondContact O-N 2.86Å; I143-R146 PolarHBondContact O-N 3.3Å; I143-T147 WeakPolarHBondContact O-CB 3.27Å; I143-T147 PolarHBondContact O-N 3.46Å; I143-T147 PolarHBondContact O-OG1 3.31Å
144	I	96.6	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-49.1	176.6	-71.4	163.1	0	0	0	111	L65 L140 R141 H142 R146 T147 I148 V157 L160 L161 L302	L65-I144 HydrophobicContact CD1-CD1 4.33Å; L65-I144 HydrophobicContact CD1-CG1 4.16Å; L65-I144 HydrophobicContact CD2-CD1 4.33Å; L65-I144 HydrophobicContact CD2-CG1 4.18Å; L140-I144 PolarHBondContact O-N 2.84Å; L140-I144 VanDerWaalsContact O-N 3.09Å; R141-I144 PolarHBondContact O-N 2.9Å; H142-I144 VanDerWaalsContact C-N 3.33Å; H142-I144 PolarHBondContact O-N 2.85Å; I144-R146 PolarHBondContact O-N 3.46Å; I144-T147 PolarHBondContact O-N 2.78Å; I144-I148 HydrophobicContact CG2-CD1 3.59Å; I144-I148 HydrophobicContact CG2-CG1 4.48Å; I144-I148 WeakPolarHBondContact O-CD1 3.47Å; I144-I148 VanDerWaalsContact O-CG1 3.27Å; I144-I148 WeakPolarHBondContact O-CG1 3.3Å; I144-I148 PolarHBondContact O-N 3.46Å; I144-V157 HydrophobicContact CB-CG1 4.37Å; I144-V157 HydrophobicContact CG1-CG1 4.27Å; I144-V157 HydrophobicContact CG2-CG1 3.89Å; I144-V157 WeakPolarHBondContact CG2-O 3.4Å; I144-L160 HydrophobicContact CD1-CB 3.79Å; I144-L160 HydrophobicContact CD1-CD1 4.01Å; I144-L160 HydrophobicContact CG1-CD1 4.23Å; I144-L161 HydrophobicContact CB-CD2 4.14Å; I144-L161 HydrophobicContact CD1-CD2 3.99Å; I144-L161 HydrophobicContact CG2-CD1 3.9Å; I144-L161 HydrophobicContact CG2-CD2 3.78Å; I144-L161 HydrophobicContact CG2-CG 3.63Å; I144-L302 HydrophobicContact CD1-CB 4.3Å; I144-L302 HydrophobicContact CD1-CD1 3.84Å; I144-L302 HydrophobicContact CD1-CD2 4.12Å; I144-L302 HydrophobicContact CD1-CG 4.3Å
145	I	94.3	Very high	94	Very high	34 Å²	34	39 Å²	39	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-47.7	-180	-70.8	163.7	0	0	0	110.8	R141 H142 T147 I148 E149 L161	R141-I145 WeakPolarHBondContact O-CD1 3.47Å; R141-I145 VanDerWaalsContact O-CG1 3.25Å; R141-I145 WeakPolarHBondContact O-CG1 3.45Å; R141-I145 PolarHBondContact O-N 3.45Å; H142-I145 PolarHBondContact O-N 2.88Å; I145-T147 VanDerWaalsContact C-N 3.33Å; I145-T147 PolarHBondContact O-N 2.76Å; I145-I148 PolarHBondContact O-N 3.49Å; I145-E149 HydrophobicContact CG2-CG 4.4Å; I145-E149 WeakPolarHBondContact O-CG 3.29Å; I145-E149 PolarHBondContact O-N 3.05Å; I145-L161 HydrophobicContact CG1-CD1 4.44Å
146	R	93.5	Very high	93.7	Very high	61 Å²	61	40.2 Å²	40.2	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-36.5	-180	-69.9	-69.3	-108.3	167.9	-0	112.7	F74 E127 H142 I143 I144 E149 A150	F74-R146 HydrophobicContact CE2-CB 3.99Å; F74-R146 HydrophobicContact CE2-CG 4.39Å; F74-R146 HydrophobicContact CZ-CB 3.95Å; F74-R146 HydrophobicContact CZ-CG 3.85Å; E127-R146 IonicContact OE1-CZ 2.9Å; E127-R146 IonicContact OE1-NH2 3.5Å; E127-R146 PolarHBondContact OE1-NH2 3.1Å; E127-R146 IonicContact OE2-NH2 3.09Å; H142-R146 VanDerWaalsContact CE1-CG 3.42Å; H142-R146 WeakPolarHBondContact CE1-CG 3.41Å; H142-R146 WeakPolarHBondContact O-CB 3.17Å; H142-R146 VanDerWaalsContact O-CG 3.32Å; H142-R146 WeakPolarHBondContact O-CG 3.49Å; H142-R146 PolarHBondContact O-N 3.46Å; I143-R146 PolarHBondContact O-N 3.3Å; I144-R146 PolarHBondContact O-N 3.46Å; R146-E149 VanDerWaalsContact CD-OE2 3.25Å; R146-E149 WeakPolarHBondContact CD-OE2 3.3Å; R146-E149 IonicContact NH1-OE2 3.6Å; R146-E149 PolarHBondContact O-N 2.9Å; R146-A150 WeakPolarHBondContact O-CB 3.33Å; R146-A150 PolarHBondContact O-N 2.91Å
147	T	93.8	Very high	93.5	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-41.9	175.3	-55.4	0	0	0	0	111.1	C69 S71 I143 I144 I145 A150 D151 V157	C69-T147 HydrophobicContact CB-CG2 4.14Å; S71-T147 WeakPolarHBondContact CB-OG1 3.39Å; S71-T147 PolarHBondContact OG-OG1 3.28Å; I143-T147 WeakPolarHBondContact O-CB 3.27Å; I143-T147 PolarHBondContact O-N 3.46Å; I143-T147 PolarHBondContact O-OG1 3.31Å; I144-T147 PolarHBondContact O-N 2.78Å; I145-T147 VanDerWaalsContact C-N 3.33Å; I145-T147 PolarHBondContact O-N 2.76Å; T147-A150 PolarHBondContact O-N 2.88Å; T147-D151 PolarHBondContact O-N 3.19Å; T147-V157 HydrophobicContact CG2-CG1 4.32Å
148	I	94.2	Very high	93.4	Very high	23 Å²	23	43.2 Å²	43.2	12%	0.118	23%	0.23	C	C	.	.	H	α-helix	trans	-70.6	-35.2	177.4	-62.1	158.2	0	0	0	111.7	I144 I145 A150 D151 P152 V157 Q158	I144-I148 HydrophobicContact CG2-CD1 3.59Å; I144-I148 HydrophobicContact CG2-CG1 4.48Å; I144-I148 WeakPolarHBondContact O-CD1 3.47Å; I144-I148 VanDerWaalsContact O-CG1 3.27Å; I144-I148 WeakPolarHBondContact O-CG1 3.3Å; I144-I148 PolarHBondContact O-N 3.46Å; I145-I148 PolarHBondContact O-N 3.49Å; I148-A150 VanDerWaalsContact C-N 3.32Å; I148-D151 CarbonylContact O-C 3.51Å; I148-P152 WeakPolarHBondContact O-CA 3.37Å; I148-P152 VanDerWaalsContact O-N 3.1Å; I148-V157 HydrophobicContact CG1-CG1 4.3Å; I148-Q158 HydrophobicContact CD1-CB 3.72Å; I148-Q158 HydrophobicContact CD1-CG 4.09Å; I148-Q158 HydrophobicContact CG1-CB 4.29Å
149	E	92.8	Very high	93.2	Very high	121 Å²	121	46.3 Å²	46.3	57%	0.565	24%	0.243	S	C	*	.	H	α-helix	trans	-64.3	-38.1	174	-74.7	173.4	174	0	0	111.7	I145 R146	I145-E149 HydrophobicContact CG2-CG 4.4Å; I145-E149 WeakPolarHBondContact O-CG 3.29Å; I145-E149 PolarHBondContact O-N 3.05Å; R146-E149 VanDerWaalsContact CD-OE2 3.25Å; R146-E149 WeakPolarHBondContact CD-OE2 3.3Å; R146-E149 IonicContact NH1-OE2 3.6Å; R146-E149 PolarHBondContact O-N 2.9Å
150	A	91.7	Very high	93.1	Very high	75 Å²	75	46.3 Å²	46.3	62%	0.62	24%	0.243	S	C	*	.	H	α-helix	trans	-73.4	-39	176.1	0	0	0	0	0	112.6	R146 T147 I148	R146-A150 WeakPolarHBondContact O-CB 3.33Å; R146-A150 PolarHBondContact O-N 2.91Å; T147-A150 PolarHBondContact O-N 2.88Å; I148-A150 VanDerWaalsContact C-N 3.32Å
151	D	91.8	Very high	92.9	Very high	66 Å²	66	46.4 Å²	46.4	35%	0.353	24%	0.244	S	C	.	.			trans	-136.1	94	176.1	-175.3	-1.9	0	0	0	111.9	T147 I148 S153 R154	T147-D151 PolarHBondContact O-N 3.19Å; I148-D151 CarbonylContact O-C 3.51Å; D151-S153 VanDerWaalsContact CG-OG 3.31Å; D151-S153 PolarHBondContact O-N 2.93Å; D151-S153 VanDerWaalsContact O-N 3.08Å; D151-S153 VanDerWaalsContact OD1-CB 3.26Å; D151-S153 WeakPolarHBondContact OD1-CB 3.31Å; D151-S153 PolarHBondContact OD1-N 3.28Å; D151-S153 PolarHBondContact OD1-OG 3.11Å; D151-S153 PolarHBondContact OD2-OG 2.88Å; D151-R154 HydrophobicContact CB-CG 4.04Å; D151-R154 PolarHBondContact O-N 3.4Å; D151-R154 WeakPolarHBondContact OD2-CG 3.48Å
152	P	92.3	Very high	92.7	Very high	96 Å²	96	45.6 Å²	45.6	62%	0.623	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.6	178.5	-25.1	35.4	0	0	0	115	I148 R154	I148-P152 WeakPolarHBondContact O-CA 3.37Å; I148-P152 VanDerWaalsContact O-N 3.1Å; P152-R154 VanDerWaalsContact C-N 3.34Å
153	S	91	Very high	92.2	Very high	82 Å²	82	50.5 Å²	50.5	57%	0.573	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.3	179.3	77.7	0	0	0	0	113.2	D151 K155	D151-S153 VanDerWaalsContact CG-OG 3.31Å; D151-S153 PolarHBondContact O-N 2.93Å; D151-S153 VanDerWaalsContact O-N 3.08Å; D151-S153 VanDerWaalsContact OD1-CB 3.26Å; D151-S153 WeakPolarHBondContact OD1-CB 3.31Å; D151-S153 PolarHBondContact OD1-N 3.28Å; D151-S153 PolarHBondContact OD1-OG 3.11Å; D151-S153 PolarHBondContact OD2-OG 2.88Å; S153-K155 PolarHBondContact O-N 2.99Å
154	R	89.5	Confident	91.8	Very high	40 Å²	40	58.3 Å²	58.3	15%	0.151	30%	0.301	C	S	.	.			trans	-73.4	65.8	-179.4	-66.1	-65.6	-58.1	-82	5	113.4	C69 D151 P152 D156 V157 Q158	C69-R154 PolarHBondContact O-NH1 2.8Å; D151-R154 HydrophobicContact CB-CG 4.04Å; D151-R154 PolarHBondContact O-N 3.4Å; D151-R154 WeakPolarHBondContact OD2-CG 3.48Å; P152-R154 VanDerWaalsContact C-N 3.34Å; R154-D156 VanDerWaalsContact C-N 3.26Å; R154-D156 WeakPolarHBondContact CA-OD1 3.34Å; R154-D156 IonicContact CZ-OD1 3.95Å; R154-D156 IonicContact CZ-OD2 3.21Å; R154-D156 IonicContact NE-OD1 2.88Å; R154-D156 PolarHBondContact NE-OD1 2.98Å; R154-D156 IonicContact NE-OD2 2.86Å; R154-D156 PolarHBondContact NE-OD2 3.44Å; R154-D156 VanDerWaalsContact NE-OD2 3.11Å; R154-D156 IonicContact NH2-OD2 2.71Å; R154-D156 PolarHBondContact NH2-OD2 3.2Å; R154-D156 PolarHBondContact O-N 2.8Å; R154-V157 HydrophobicContact CB-CB 4.24Å; R154-V157 HydrophobicContact CB-CG2 4.24Å; R154-V157 PolarHBondContact O-N 2.98Å; R154-Q158 PolarHBondContact O-N 2.92Å
155	K	87.8	Confident	91.6	Very high	149 Å²	149	62.9 Å²	62.9	65%	0.648	32%	0.321	S	S	*	.	H	α-helix	trans	-64.3	-32.3	176.6	-67.7	-179	-176.5	171.6	0	112.3	S153 V157 Q158 E159	S153-K155 PolarHBondContact O-N 2.99Å; K155-V157 VanDerWaalsContact C-N 3.3Å; K155-V157 PolarHBondContact O-N 2.82Å; K155-Q158 WeakPolarHBondContact O-CB 3.43Å; K155-Q158 PolarHBondContact O-N 2.98Å; K155-Q158 VanDerWaalsContact O-N 3.11Å; K155-E159 WeakPolarHBondContact O-CG 3.49Å; K155-E159 PolarHBondContact O-N 3.23Å
156	D	87.5	Confident	91.5	Very high	25 Å²	25	65.1 Å²	65.1	13%	0.134	34%	0.336	C	S	.	.	H	α-helix	trans	-52	-47.3	172.3	60.6	-47.1	0	0	0	111.7	R154 E159	R154-D156 VanDerWaalsContact C-N 3.26Å; R154-D156 WeakPolarHBondContact CA-OD1 3.34Å; R154-D156 IonicContact CZ-OD1 3.95Å; R154-D156 IonicContact CZ-OD2 3.21Å; R154-D156 IonicContact NE-OD1 2.88Å; R154-D156 PolarHBondContact NE-OD1 2.98Å; R154-D156 IonicContact NE-OD2 2.86Å; R154-D156 PolarHBondContact NE-OD2 3.44Å; R154-D156 VanDerWaalsContact NE-OD2 3.11Å; R154-D156 IonicContact NH2-OD2 2.71Å; R154-D156 PolarHBondContact NH2-OD2 3.2Å; R154-D156 PolarHBondContact O-N 2.8Å; D156-E159 PolarHBondContact O-N 2.98Å
157	V	92.7	Very high	91.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-71.2	-34.1	178	175.2	0	0	0	0	111.6	I144 T147 I148 R154 K155 E159 L160	I144-V157 HydrophobicContact CB-CG1 4.37Å; I144-V157 HydrophobicContact CG1-CG1 4.27Å; I144-V157 HydrophobicContact CG2-CG1 3.89Å; I144-V157 WeakPolarHBondContact CG2-O 3.4Å; T147-V157 HydrophobicContact CG2-CG1 4.32Å; I148-V157 HydrophobicContact CG1-CG1 4.3Å; R154-V157 HydrophobicContact CB-CB 4.24Å; R154-V157 HydrophobicContact CB-CG2 4.24Å; R154-V157 PolarHBondContact O-N 2.98Å; K155-V157 VanDerWaalsContact C-N 3.3Å; K155-V157 PolarHBondContact O-N 2.82Å; V157-E159 PolarHBondContact O-N 3.24Å; V157-L160 VanDerWaalsContact O-CB 3.3Å; V157-L160 WeakPolarHBondContact O-CB 3.42Å; V157-L160 WeakPolarHBondContact O-CG 3.18Å; V157-L160 PolarHBondContact O-N 2.91Å
158	Q	92.4	Very high	91.5	Very high	71 Å²	71	62.2 Å²	62.2	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-36.9	175.8	-176	176.9	-11.8	0	0	113	I148 R154 K155 L160 L161	I148-Q158 HydrophobicContact CD1-CB 3.72Å; I148-Q158 HydrophobicContact CD1-CG 4.09Å; I148-Q158 HydrophobicContact CG1-CB 4.29Å; R154-Q158 PolarHBondContact O-N 2.92Å; K155-Q158 WeakPolarHBondContact O-CB 3.43Å; K155-Q158 PolarHBondContact O-N 2.98Å; K155-Q158 VanDerWaalsContact O-N 3.11Å; Q158-L160 PolarHBondContact O-N 2.95Å; Q158-L161 PolarHBondContact O-N 2.49Å; Q158-L161 VanDerWaalsContact O-N 3.14Å
159	E	91.4	Very high	91.4	Very high	79 Å²	79	67 Å²	67	37%	0.369	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-24.2	178.1	-69.5	-61.4	135.8	0	0	112.3	K155 D156 V157 L161 G162 L263	K155-E159 WeakPolarHBondContact O-CG 3.49Å; K155-E159 PolarHBondContact O-N 3.23Å; D156-E159 PolarHBondContact O-N 2.98Å; V157-E159 PolarHBondContact O-N 3.24Å; E159-L161 PolarHBondContact O-N 3.31Å; E159-L161 VanDerWaalsContact O-N 3.15Å; E159-G162 WeakPolarHBondContact O-CA 3.1Å; E159-G162 PolarHBondContact O-N 3.5Å; E159-L263 HydrophobicContact CB-CD2 4.43Å
160	L	95.1	Very high	91.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.4	174.2	-61.7	-178.8	0	0	0	113	L65 Y68 I144 V157 Q158 G162 F300 L302 V305	L65-L160 HydrophobicContact CD1-CD1 3.93Å; Y68-L160 HydrophobicContact CD1-CD1 4.01Å; Y68-L160 HydrophobicContact CE1-CD1 3.79Å; Y68-L160 HydrophobicContact CE1-CD2 4.19Å; Y68-L160 HydrophobicContact CE1-CG 4.37Å; I144-L160 HydrophobicContact CD1-CB 3.79Å; I144-L160 HydrophobicContact CD1-CD1 4.01Å; I144-L160 HydrophobicContact CG1-CD1 4.23Å; V157-L160 VanDerWaalsContact O-CB 3.3Å; V157-L160 WeakPolarHBondContact O-CB 3.42Å; V157-L160 WeakPolarHBondContact O-CG 3.18Å; V157-L160 PolarHBondContact O-N 2.91Å; Q158-L160 PolarHBondContact O-N 2.95Å; L160-G162 PolarHBondContact O-N 3.1Å; L160-G162 VanDerWaalsContact O-N 3.15Å; L160-F300 HydrophobicContact CD2-CD1 3.58Å; L160-F300 HydrophobicContact CD2-CE1 3.64Å; L160-L302 HydrophobicContact CB-CB 4.4Å; L160-L302 VanDerWaalsContact O-CB 3.28Å; L160-L302 WeakPolarHBondContact O-CB 3.13Å; L160-L302 PolarHBondContact O-N 2.86Å; L160-V305 HydrophobicContact CD1-CG2 4.48Å; L160-V305 HydrophobicContact CD2-CG2 4.11Å
161	L	94.7	Very high	90.8	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.8	176.7	-60.8	176.4	0	0	0	112.7	R141 I144 I145 Q158 E159 K165 T166 C167	R141-L161 HydrophobicContact CB-CD2 4.32Å; R141-L161 HydrophobicContact CG-CD2 4.07Å; I144-L161 HydrophobicContact CB-CD2 4.14Å; I144-L161 HydrophobicContact CD1-CD2 3.99Å; I144-L161 HydrophobicContact CG2-CD1 3.9Å; I144-L161 HydrophobicContact CG2-CD2 3.78Å; I144-L161 HydrophobicContact CG2-CG 3.63Å; I145-L161 HydrophobicContact CG1-CD1 4.44Å; Q158-L161 PolarHBondContact O-N 2.49Å; Q158-L161 VanDerWaalsContact O-N 3.14Å; E159-L161 PolarHBondContact O-N 3.31Å; E159-L161 VanDerWaalsContact O-N 3.15Å; L161-K165 HydrophobicContact CB-CB 3.87Å; L161-K165 HydrophobicContact CB-CG 4.02Å; L161-K165 HydrophobicContact CD1-CB 4.14Å; L161-K165 HydrophobicContact CD1-CD 3.88Å; L161-K165 HydrophobicContact CD1-CG 3.92Å; L161-K165 CarbonylContact O-C 2.94Å; L161-K165 WeakPolarHBondContact O-CA 3.3Å; L161-T166 PolarHBondContact O-N 2.89Å; L161-C167 VanDerWaalsContact C-CB 3.46Å; L161-C167 WeakPolarHBondContact O-CB 3.29Å; L161-C167 PolarHBondContact O-N 3.05Å
162	G	91.1	Very high	90.5	Very high	15 Å²	15	58.1 Å²	58.1	16%	0.155	30%	0.299	C	S	.	.			trans	67.9	-176.1	-179.4	0	0	0	0	0	113.4	E159 L160 K164 K165	E159-G162 WeakPolarHBondContact O-CA 3.1Å; E159-G162 PolarHBondContact O-N 3.5Å; L160-G162 PolarHBondContact O-N 3.1Å; L160-G162 VanDerWaalsContact O-N 3.15Å; G162-K164 PolarHBondContact O-N 3.02Å; G162-K165 PolarHBondContact O-N 3.4Å
163	F	86.2	Confident	89.9	Confident	114 Å²	114	55 Å²	55	50%	0.5	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-55.5	129.1	-179	-178.6	-112	0	0	0	111.6	K165 T166 H221	F163-K165 PolarHBondContact O-N 3.13Å; F163-T166 PolarHBondContact O-N 2.81Å; F163-T166 PolarHBondContact O-OG1 3.3Å; F163-H221 HydrophobicContact CD1-CB 4.49Å; F163-H221 HydrophobicContact CD2-CB 4.23Å; F163-H221 HydrophobicContact CE1-CB 4.16Å; F163-H221 HydrophobicContact CE2-CB 3.91Å; F163-H221 AromaticContact CE2-CD2 3.42Å; F163-H221 VanDerWaalsContact CE2-CD2 3.42Å; F163-H221 WeakPolarHBondContact CE2-CD2 3.42Å; F163-H221 AromaticContact CE2-CG 3.74Å; F163-H221 HydrophobicContact CZ-CB 3.86Å; F163-H221 AromaticContact CZ-CD2 3.57Å; F163-H221 AromaticContact CZ-CG 3.56Å
164	K	88.4	Confident	89.3	Confident	164 Å²	164	56 Å²	56	71%	0.713	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	52.6	25.5	-176.1	-63.6	-179.3	176.5	-179.8	0	114.1	G162 T166	G162-K164 PolarHBondContact O-N 3.02Å; K164-T166 VanDerWaalsContact C-N 3.29Å; K164-T166 HydrophobicContact CB-CG2 4.16Å; K164-T166 PolarHBondContact O-N 2.92Å
165	K	92.4	Very high	89.1	Confident	96 Å²	96	55.2 Å²	55.2	42%	0.417	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	60.6	31.9	-179.9	-52.8	-177.6	177.4	-171.5	0	113.9	R141 L161 G162 F163	R141-K165 PolarHBondContact NH1-O 3.15Å; R141-K165 PolarHBondContact NH2-O 2.92Å; L161-K165 HydrophobicContact CB-CB 3.87Å; L161-K165 HydrophobicContact CB-CG 4.02Å; L161-K165 HydrophobicContact CD1-CB 4.14Å; L161-K165 HydrophobicContact CD1-CD 3.88Å; L161-K165 HydrophobicContact CD1-CG 3.92Å; L161-K165 CarbonylContact O-C 2.94Å; L161-K165 WeakPolarHBondContact O-CA 3.3Å; G162-K165 PolarHBondContact O-N 3.4Å; F163-K165 PolarHBondContact O-N 3.13Å
166	T	91.7	Very high	89.2	Confident	80 Å²	80	56.9 Å²	56.9	49%	0.491	29%	0.287	S	S	.	.			trans	-95.1	-9.4	-174.2	61.7	0	0	0	0	115.8	L161 F163 K164 L168 K169	L161-T166 PolarHBondContact O-N 2.89Å; F163-T166 PolarHBondContact O-N 2.81Å; F163-T166 PolarHBondContact O-OG1 3.3Å; K164-T166 VanDerWaalsContact C-N 3.29Å; K164-T166 HydrophobicContact CB-CG2 4.16Å; K164-T166 PolarHBondContact O-N 2.92Å; T166-L168 PolarHBondContact O-N 3.43Å; T166-K169 VanDerWaalsContact O-CB 3.26Å; T166-K169 WeakPolarHBondContact O-CB 3.36Å; T166-K169 PolarHBondContact O-N 3.03Å
167	C	94.1	Very high	89.5	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	123.7	179.7	-179.4	0	0	0	0	110.6	R141 L161 K169 E296 T301 T303	R141-C167 PolarHBondContact NH1-O 3.15Å; L161-C167 VanDerWaalsContact C-CB 3.46Å; L161-C167 WeakPolarHBondContact O-CB 3.29Å; L161-C167 PolarHBondContact O-N 3.05Å; C167-K169 PolarHBondContact O-N 2.88Å; C167-E296 PolarHBondContact SG-OE2 2.88Å; C167-T301 PolarHBondContact SG-OG1 3.12Å; C167-T301 VanDerWaalsContact SG-OG1 3.41Å; C167-T303 PolarHBondContact SG-OG1 3.01Å; C167-T303 VanDerWaalsContact SG-OG1 3.33Å
168	L	93.4	Very high	89.4	Confident	8 Å²	8	57.9 Å²	57.9	4%	0.042	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	27.9	-175.9	-54.8	-179.1	0	0	0	114.8	A137 T166 T178 C181 L302 V306	A137-L168 HydrophobicContact CB-CB 4.09Å; T166-L168 PolarHBondContact O-N 3.43Å; L168-T178 HydrophobicContact CB-CG2 4.49Å; L168-T178 HydrophobicContact CD2-CG2 4.18Å; L168-C181 HydrophobicContact CD2-CB 4.17Å; L168-L302 HydrophobicContact CD1-CD2 4.37Å; L168-L302 HydrophobicContact CD1-CG 4.2Å; L168-V306 HydrophobicContact CD1-CG2 3.86Å
169	K	91.9	Very high	89.4	Confident	124 Å²	124	58.1 Å²	58.1	54%	0.539	29%	0.287	S	S	.	.			trans	-79.1	-29.1	178.2	-174.6	175.7	179.5	175.3	0	112.7	T166 C167	T166-K169 VanDerWaalsContact O-CB 3.26Å; T166-K169 WeakPolarHBondContact O-CB 3.36Å; T166-K169 PolarHBondContact O-N 3.03Å; C167-K169 PolarHBondContact O-N 2.88Å
170	A	87.6	Confident	89.6	Confident	47 Å²	47	55.5 Å²	55.5	39%	0.388	28%	0.275	S	S	.	.	S	Bend	trans	-78.6	147	-179.6	0	0	0	0	0	110.6	V174 T178	A170-V174 HydrophobicContact CB-CG2 4.47Å; A170-T178 WeakPolarHBondContact O-CB 3.4Å; A170-T178 VanDerWaalsContact O-CG2 3.23Å; A170-T178 WeakPolarHBondContact O-CG2 3.39Å; A170-T178 PolarHBondContact O-OG1 2.76Å
171	C	84.1	Confident	89.6	Confident	25 Å²	25	55.5 Å²	55.5	17%	0.169	28%	0.275	C	S	.	.			trans	-69.7	149.3	-177.6	-46.1	0	0	0	0	111.3	E173 V174 S175 N495 N521	C171-E173 WeakPolarHBondContact CB-OE2 3.4Å; C171-E173 PolarHBondContact O-N 3.26Å; C171-E173 VanDerWaalsContact O-N 3.09Å; C171-V174 HydrophobicContact CB-CG2 4.07Å; C171-V174 WeakPolarHBondContact O-CG2 3.42Å; C171-V174 PolarHBondContact O-N 3.41Å; C171-V174 VanDerWaalsContact O-N 3.16Å; C171-S175 WeakPolarHBondContact O-CB 3.37Å; C171-S175 PolarHBondContact O-N 2.97Å; C171-N495 VanDerWaalsContact SG-CG 3.51Å; C171-N495 PolarHBondContact SG-ND2 3.5Å; C171-N521 WeakPolarHBondContact CB-OD1 3.37Å; C171-N521 PolarHBondContact SG-OD1 3.48Å
172	A	85.6	Confident	89.5	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.033	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.7	-179.6	0	0	0	0	0	113.5	R179 L183	A172-R179 HydrophobicContact CB-CB 4.25Å; A172-R179 HydrophobicContact CB-CG 4.46Å; A172-R179 VanDerWaalsContact O-CB 3.27Å; A172-R179 WeakPolarHBondContact O-CB 3.44Å; A172-L183 HydrophobicContact CB-CD1 4.09Å
173	E	79.1	Confident	89.6	Confident	30 Å²	30	57.4 Å²	57.4	14%	0.14	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-21.5	-179	-54.2	98.1	145.9	0	0	112.7	C171 N521 M544	C171-E173 WeakPolarHBondContact CB-OE2 3.4Å; C171-E173 PolarHBondContact O-N 3.26Å; C171-E173 VanDerWaalsContact O-N 3.09Å; E173-N521 WeakPolarHBondContact OE1-CB 3.37Å; E173-M544 HydrophobicContact CB-CE 3.97Å; E173-M544 HydrophobicContact CB-SD 3.9Å; E173-M544 HydrophobicContact CG-CE 3.39Å; E173-M544 HydrophobicContact CG-SD 4.02Å; E173-M544 VanDerWaalsContact OE1-CE 3.28Å; E173-M544 WeakPolarHBondContact OE1-CE 3.41Å
174	V	77.9	Confident	90	Very high	102 Å²	102	53.3 Å²	53.3	62%	0.618	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-25.5	178.8	-59.9	0	0	0	0	112.7	A170 C171 I540	A170-V174 HydrophobicContact CB-CG2 4.47Å; C171-V174 HydrophobicContact CB-CG2 4.07Å; C171-V174 WeakPolarHBondContact O-CG2 3.42Å; C171-V174 PolarHBondContact O-N 3.41Å; C171-V174 VanDerWaalsContact O-N 3.16Å; V174-I540 HydrophobicContact CG1-CD1 4.34Å
175	S	86.8	Confident	90.4	Very high	24 Å²	24	45.5 Å²	45.5	17%	0.168	24%	0.238	C	C	.	.			trans	-107.8	108.4	-178.7	173.4	0	0	0	0	110.5	C171 W177 T178 R179	C171-S175 WeakPolarHBondContact O-CB 3.37Å; C171-S175 PolarHBondContact O-N 2.97Å; S175-W177 PolarHBondContact O-N 3.21Å; S175-T178 WeakPolarHBondContact CB-OG1 3.4Å; S175-T178 PolarHBondContact O-N 3.24Å; S175-T178 WeakPolarHBondContact OG-CB 3.31Å; S175-T178 PolarHBondContact OG-N 2.66Å; S175-T178 PolarHBondContact OG-OG1 3.48Å; S175-R179 WeakPolarHBondContact O-CB 3.35Å; S175-R179 PolarHBondContact O-N 3.02Å
176	K	89.4	Confident	90.5	Very high	185 Å²	185	41 Å²	41	80%	0.804	22%	0.218	S	C	*	.	H	α-helix	trans	-56	-37.2	173	-65.7	-172.8	179	-171.4	0	111.8	L180	K176-L180 WeakPolarHBondContact O-CB 3.46Å; K176-L180 PolarHBondContact O-N 2.88Å
177	W	92.6	Very high	90.7	Very high	42 Å²	42	40.1 Å²	40.1	16%	0.159	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-46.7	178.9	-177.4	-118.3	0	0	0	112.3	S175 R179 L180 C181 L210 R213 A295 E296 T303	S175-W177 PolarHBondContact O-N 3.21Å; W177-R179 VanDerWaalsContact C-N 3.34Å; W177-R179 PolarHBondContact O-N 3.41Å; W177-L180 HydrophobicContact CE3-CD2 4.09Å; W177-L180 HydrophobicContact CZ3-CD2 3.95Å; W177-L180 PolarHBondContact O-N 3.01Å; W177-C181 PolarHBondContact O-N 3.09Å; W177-C181 PolarHBondContact O-SG 2.9Å; W177-L210 HydrophobicContact CH2-CD1 4.01Å; W177-L210 HydrophobicContact CZ3-CD1 4.35Å; W177-R213 HydrophobicContact CE3-CG 4.28Å; W177-R213 HydrophobicContact CH2-CG 3.97Å; W177-R213 HydrophobicContact CZ3-CB 4.2Å; W177-R213 HydrophobicContact CZ3-CG 3.57Å; W177-A295 HydrophobicContact CH2-CB 4.45Å; W177-A295 HydrophobicContact CZ2-CB 4.17Å; W177-E296 HydrophobicContact CZ2-CG 4.01Å; W177-E296 PolarHBondContact NE1-OE1 2.7Å; W177-T303 HydrophobicContact CZ2-CG2 3.64Å
178	T	92.5	Very high	90.7	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-41.3	177.9	-53.3	0	0	0	0	110.5	A137 L168 A170 S175 L180 C181 E182	A137-T178 HydrophobicContact CB-CG2 4.5Å; L168-T178 HydrophobicContact CB-CG2 4.49Å; L168-T178 HydrophobicContact CD2-CG2 4.18Å; A170-T178 WeakPolarHBondContact O-CB 3.4Å; A170-T178 VanDerWaalsContact O-CG2 3.23Å; A170-T178 WeakPolarHBondContact O-CG2 3.39Å; A170-T178 PolarHBondContact O-OG1 2.76Å; S175-T178 WeakPolarHBondContact CB-OG1 3.4Å; S175-T178 PolarHBondContact O-N 3.24Å; S175-T178 WeakPolarHBondContact OG-CB 3.31Å; S175-T178 PolarHBondContact OG-N 2.66Å; S175-T178 PolarHBondContact OG-OG1 3.48Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-L180 PolarHBondContact O-N 3.13Å; T178-C181 PolarHBondContact O-N 3.37Å; T178-E182 HydrophobicContact CG2-CB 4.48Å; T178-E182 WeakPolarHBondContact O-CB 3.26Å; T178-E182 PolarHBondContact O-N 3.06Å
179	R	92.1	Very high	90.7	Very high	77 Å²	77	40.4 Å²	40.4	29%	0.291	22%	0.219	S	C	.	.	H	α-helix	trans	-56	-45.9	172.8	-162.9	176.7	174.6	79.4	2.4	112.7	A172 S175 W177 L183 G184	A172-R179 HydrophobicContact CB-CB 4.25Å; A172-R179 HydrophobicContact CB-CG 4.46Å; A172-R179 VanDerWaalsContact O-CB 3.27Å; A172-R179 WeakPolarHBondContact O-CB 3.44Å; S175-R179 WeakPolarHBondContact O-CB 3.35Å; S175-R179 PolarHBondContact O-N 3.02Å; W177-R179 VanDerWaalsContact C-N 3.34Å; W177-R179 PolarHBondContact O-N 3.41Å; R179-L183 HydrophobicContact CG-CD1 4.39Å; R179-L183 WeakPolarHBondContact O-CB 3.37Å; R179-L183 PolarHBondContact O-N 3.02Å; R179-G184 PolarHBondContact O-N 3.37Å
180	L	94.9	Very high	90.8	Very high	24 Å²	24	37 Å²	37	13%	0.126	21%	0.205	C	C	.	.	I	π-helix	trans	-61.6	-48.2	-179.7	-177.9	66.3	0	0	0	110.9	K176 W177 T178 G184 I185 A206 T209	K176-L180 WeakPolarHBondContact O-CB 3.46Å; K176-L180 PolarHBondContact O-N 2.88Å; W177-L180 HydrophobicContact CE3-CD2 4.09Å; W177-L180 HydrophobicContact CZ3-CD2 3.95Å; W177-L180 PolarHBondContact O-N 3.01Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-L180 PolarHBondContact O-N 3.13Å; L180-G184 PolarHBondContact O-N 2.86Å; L180-I185 HydrophobicContact CD1-CD1 4.22Å; L180-I185 HydrophobicContact CD1-CG1 3.98Å; L180-I185 HydrophobicContact CD2-CD1 4.35Å; L180-I185 HydrophobicContact CG-CD1 3.8Å; L180-I185 HydrophobicContact CG-CG1 4.08Å; L180-I185 WeakPolarHBondContact O-CG1 3.34Å; L180-I185 PolarHBondContact O-N 2.89Å; L180-A206 HydrophobicContact CD1-CB 3.91Å; L180-T209 HydrophobicContact CD1-CG2 4.34Å; L180-T209 HydrophobicContact CD2-CG2 3.78Å
181	C	95.8	Very high	90.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-72.7	-42	-177	-58	0	0	0	0	112.9	L168 W177 T178 P186 T303 V306 L307	L168-C181 HydrophobicContact CD2-CB 4.17Å; W177-C181 PolarHBondContact O-N 3.09Å; W177-C181 PolarHBondContact O-SG 2.9Å; T178-C181 PolarHBondContact O-N 3.37Å; C181-P186 VanDerWaalsContact O-CD 3.28Å; C181-P186 WeakPolarHBondContact O-CD 3.5Å; C181-P186 WeakPolarHBondContact O-CG 3.45Å; C181-T303 VanDerWaalsContact SG-CG2 3.6Å; C181-V306 HydrophobicContact CB-CG1 4.25Å; C181-V306 WeakPolarHBondContact O-CG1 3.41Å; C181-L307 HydrophobicContact CB-CD2 4.47Å
182	E	92.8	Very high	91.3	Very high	2 Å²	2	39 Å²	39	1%	0.009	20%	0.203	C	C	.	.	I	π-helix	trans	-84.2	-31.1	-172	176.7	163.9	-153.1	0	0	113.4	H58 L136 A137 T178 Y524	H58-E182 PolarHBondContact NE2-O 3.04Å; L136-E182 HydrophobicContact CB-CG 3.94Å; L136-E182 HydrophobicContact CD2-CG 4.46Å; L136-E182 PolarHBondContact N-OE1 3.17Å; L136-E182 VanDerWaalsContact N-OE1 3.14Å; A137-E182 PolarHBondContact N-OE1 3.03Å; T178-E182 HydrophobicContact CG2-CB 4.48Å; T178-E182 WeakPolarHBondContact O-CB 3.26Å; T178-E182 PolarHBondContact O-N 3.06Å; E182-Y524 VanDerWaalsContact CG-OH 3.32Å; E182-Y524 WeakPolarHBondContact CG-OH 3.01Å; E182-Y524 WeakPolarHBondContact OE1-CE2 3.47Å; E182-Y524 PolarHBondContact OE1-OH 2.89Å
183	L	92.3	Very high	91.4	Very high	54 Å²	54	40.2 Å²	40.2	28%	0.283	21%	0.209	S	C	.	.	I	π-helix	trans	-124.4	-52.2	-174	-57.7	176.2	0	0	0	111.9	A172 R179 S187	A172-L183 HydrophobicContact CB-CD1 4.09Å; R179-L183 HydrophobicContact CG-CD1 4.39Å; R179-L183 WeakPolarHBondContact O-CB 3.37Å; R179-L183 PolarHBondContact O-N 3.02Å; L183-S187 VanDerWaalsContact O-CB 3.26Å; L183-S187 WeakPolarHBondContact O-CB 3.46Å; L183-S187 PolarHBondContact O-N 2.83Å; L183-S187 VanDerWaalsContact O-N 3.08Å; L183-S187 PolarHBondContact O-OG 2.91Å
184	G	94.6	Very high	91.8	Very high	28 Å²	28	44.9 Å²	44.9	29%	0.289	23%	0.231	S	C	.	.	I	π-helix	trans	-62.9	-55.6	-169.1	0	0	0	0	0	113.6	R179 L180 A188	R179-G184 PolarHBondContact O-N 3.37Å; L180-G184 PolarHBondContact O-N 2.86Å; G184-A188 VanDerWaalsContact O-CB 3.25Å; G184-A188 WeakPolarHBondContact O-CB 3.46Å; G184-A188 PolarHBondContact O-N 2.89Å
185	I	96.6	Very high	92.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-50	-178.1	-68.7	164.8	0	0	0	111.5	L180 S187 A188 V189 A206 I207 L210 L307 C310 I311	L180-I185 HydrophobicContact CD1-CD1 4.22Å; L180-I185 HydrophobicContact CD1-CG1 3.98Å; L180-I185 HydrophobicContact CD2-CD1 4.35Å; L180-I185 HydrophobicContact CG-CD1 3.8Å; L180-I185 HydrophobicContact CG-CG1 4.08Å; L180-I185 WeakPolarHBondContact O-CG1 3.34Å; L180-I185 PolarHBondContact O-N 2.89Å; I185-S187 VanDerWaalsContact C-N 3.34Å; I185-S187 PolarHBondContact O-N 3.35Å; I185-A188 PolarHBondContact O-N 2.96Å; I185-V189 HydrophobicContact CG2-CG2 4.27Å; I185-V189 WeakPolarHBondContact O-CG2 3.28Å; I185-V189 PolarHBondContact O-N 2.82Å; I185-A206 HydrophobicContact CG1-CB 4.05Å; I185-I207 HydrophobicContact CG2-CD1 4.11Å; I185-L210 HydrophobicContact CD1-CB 4.13Å; I185-L210 HydrophobicContact CD1-CD2 3.97Å; I185-L210 HydrophobicContact CD1-CG 4.45Å; I185-L307 HydrophobicContact CB-CD2 4.44Å; I185-L307 HydrophobicContact CD1-CD2 3.42Å; I185-L307 VanDerWaalsContact CD1-CD2 3.42Å; I185-L307 HydrophobicContact CG2-CD2 4.22Å; I185-C310 HydrophobicContact CG2-CB 3.91Å; I185-I311 HydrophobicContact CG2-CD1 4.17Å
186	P	95.7	Very high	91.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54.6	-48.3	176.6	-27.5	34.9	0	0	0	112.6	L57 C181 A188 V189 E190	L57-P186 HydrophobicContact CB-CB 4.29Å; L57-P186 HydrophobicContact CD1-CB 4.33Å; L57-P186 WeakPolarHBondContact CD1-O 3.35Å; C181-P186 VanDerWaalsContact O-CD 3.28Å; C181-P186 WeakPolarHBondContact O-CD 3.5Å; C181-P186 WeakPolarHBondContact O-CG 3.45Å; P186-A188 PolarHBondContact O-N 2.8Å; P186-V189 PolarHBondContact O-N 2.96Å; P186-E190 WeakPolarHBondContact O-CG 3.45Å; P186-E190 PolarHBondContact O-N 2.98Å
187	S	94.2	Very high	91	Very high	63 Å²	63	43.3 Å²	43.3	44%	0.441	23%	0.225	S	C	.	.	H	α-helix	trans	-63.7	-44.2	-178.9	-52	0	0	0	0	112.1	L183 I185 V189 E190 E191	L183-S187 VanDerWaalsContact O-CB 3.26Å; L183-S187 WeakPolarHBondContact O-CB 3.46Å; L183-S187 PolarHBondContact O-N 2.83Å; L183-S187 VanDerWaalsContact O-N 3.08Å; L183-S187 PolarHBondContact O-OG 2.91Å; I185-S187 VanDerWaalsContact C-N 3.34Å; I185-S187 PolarHBondContact O-N 3.35Å; S187-V189 VanDerWaalsContact C-N 3.33Å; S187-V189 PolarHBondContact O-N 3.44Å; S187-E190 PolarHBondContact O-N 3.2Å; S187-E191 WeakPolarHBondContact O-CB 3.3Å; S187-E191 PolarHBondContact O-N 3.15Å
188	A	94.5	Very high	89.5	Confident	15 Å²	15	44.5 Å²	44.5	12%	0.124	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-37.9	179.4	0	0	0	0	0	112.4	G184 I185 P186 H192 P204 A206	G184-A188 VanDerWaalsContact O-CB 3.25Å; G184-A188 WeakPolarHBondContact O-CB 3.46Å; G184-A188 PolarHBondContact O-N 2.89Å; I185-A188 PolarHBondContact O-N 2.96Å; P186-A188 PolarHBondContact O-N 2.8Å; A188-H192 PolarHBondContact O-N 2.95Å; A188-H192 VanDerWaalsContact O-N 3.11Å; A188-P204 HydrophobicContact CB-CB 3.96Å; A188-A206 HydrophobicContact CB-CB 3.93Å
189	V	94.3	Very high	87.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71.4	-43.5	176.4	174.1	0	0	0	0	110.8	L57 I185 P186 S187 E191 H192 L193 I207 C310 Y314	L57-V189 HydrophobicContact CD1-CB 3.76Å; L57-V189 HydrophobicContact CD1-CG1 3.73Å; I185-V189 HydrophobicContact CG2-CG2 4.27Å; I185-V189 WeakPolarHBondContact O-CG2 3.28Å; I185-V189 PolarHBondContact O-N 2.82Å; P186-V189 PolarHBondContact O-N 2.96Å; S187-V189 VanDerWaalsContact C-N 3.33Å; S187-V189 PolarHBondContact O-N 3.44Å; V189-E191 VanDerWaalsContact C-N 3.32Å; V189-E191 PolarHBondContact O-N 3.39Å; V189-H192 PolarHBondContact O-N 3.09Å; V189-L193 HydrophobicContact CG1-CD1 3.77Å; V189-L193 HydrophobicContact CG1-CG 4.11Å; V189-L193 VanDerWaalsContact O-CG 3.23Å; V189-L193 WeakPolarHBondContact O-CG 3.37Å; V189-L193 PolarHBondContact O-N 3.1Å; V189-I207 HydrophobicContact CG2-CD1 3.99Å; V189-C310 WeakPolarHBondContact CG1-O 3.38Å; V189-C310 HydrophobicContact CG2-CB 4.4Å; V189-Y314 HydrophobicContact CG2-CD2 4.27Å; V189-Y314 HydrophobicContact CG2-CG 4.2Å
190	E	92.5	Very high	86.1	Confident	53 Å²	53	45.3 Å²	45.3	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-42.2	176.3	-76.2	-179.9	169.5	0	0	112.1	L57 P186 S187 L193 Q194	L57-E190 HydrophobicContact CB-CG 4.4Å; L57-E190 HydrophobicContact CD1-CG 3.71Å; L57-E190 HydrophobicContact CG-CG 3.8Å; L57-E190 PolarHBondContact N-OE1 3.07Å; P186-E190 WeakPolarHBondContact O-CG 3.45Å; P186-E190 PolarHBondContact O-N 2.98Å; S187-E190 PolarHBondContact O-N 3.2Å; E190-L193 PolarHBondContact O-N 2.9Å; E190-Q194 WeakPolarHBondContact O-CG 3.45Å; E190-Q194 PolarHBondContact O-N 2.89Å; E190-Q194 VanDerWaalsContact O-N 3.14Å
191	E	91.7	Very high	84.3	Confident	109 Å²	109	53.3 Å²	53.3	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-47.2	174.3	-172.5	-176.3	168	0	0	111.6	S187 V189 L193 Q194 K195 Q199	S187-E191 WeakPolarHBondContact O-CB 3.3Å; S187-E191 PolarHBondContact O-N 3.15Å; V189-E191 VanDerWaalsContact C-N 3.32Å; V189-E191 PolarHBondContact O-N 3.39Å; E191-L193 VanDerWaalsContact C-N 3.35Å; E191-L193 PolarHBondContact O-N 3.34Å; E191-Q194 PolarHBondContact O-N 2.76Å; E191-K195 PolarHBondContact O-N 2.74Å; E191-Q199 PolarHBondContact OE1-NE2 2.93Å
192	H	90.5	Very high	83.4	Confident	3 Å²	3	58.4 Å²	58.4	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-44.8	176.4	175.9	81.6	0	0	0	111.9	A188 V189 Q194 K195 P196 Y314 S317	A188-H192 PolarHBondContact O-N 2.95Å; A188-H192 VanDerWaalsContact O-N 3.11Å; V189-H192 PolarHBondContact O-N 3.09Å; H192-Q194 PolarHBondContact O-N 2.79Å; H192-K195 CarbonylContact O-C 3.06Å; H192-K195 PolarHBondContact O-N 2.79Å; H192-P196 WeakPolarHBondContact O-CA 3.3Å; H192-P196 VanDerWaalsContact O-N 3.09Å; H192-Y314 HydrophobicContact CB-CD2 4.32Å; H192-Y314 HydrophobicContact CB-CE2 4.22Å; H192-Y314 AromaticContact CD2-CD2 3.67Å; H192-Y314 AromaticContact CD2-CE2 3.77Å; H192-Y314 AromaticContact CG-CD2 3.93Å; H192-Y314 AromaticContact CG-CE2 3.69Å; H192-Y314 AromaticContact ND1-CE2 3.92Å; H192-S317 PolarHBondContact CD2-OG 2.98Å; H192-S317 PolarHBondContact NE2-OG 3.05Å
193	L	88.5	Confident	83.1	Confident	30 Å²	30	60 Å²	60	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-19.2	-178.7	-66.2	172.5	0	0	0	113.5	R54 V189 E190 E191 H313	R54-L193 VanDerWaalsContact NH2-CD1 3.29Å; V189-L193 HydrophobicContact CG1-CD1 3.77Å; V189-L193 HydrophobicContact CG1-CG 4.11Å; V189-L193 VanDerWaalsContact O-CG 3.23Å; V189-L193 WeakPolarHBondContact O-CG 3.37Å; V189-L193 PolarHBondContact O-N 3.1Å; E190-L193 PolarHBondContact O-N 2.9Å; E191-L193 VanDerWaalsContact C-N 3.35Å; E191-L193 PolarHBondContact O-N 3.34Å; L193-H313 HydrophobicContact CD1-CB 3.84Å; L193-H313 HydrophobicContact CD2-CB 4.46Å
194	Q	86.9	Confident	83	Confident	129 Å²	129	58 Å²	58	60%	0.603	32%	0.324	S	S	*	.	H	α-helix	trans	-77.1	-29.8	171.3	-71.7	176.3	11.9	0	0	112.2	E190 E191 H192	E190-Q194 WeakPolarHBondContact O-CG 3.45Å; E190-Q194 PolarHBondContact O-N 2.89Å; E190-Q194 VanDerWaalsContact O-N 3.14Å; E191-Q194 PolarHBondContact O-N 2.76Å; H192-Q194 PolarHBondContact O-N 2.79Å
195	K	84.5	Confident	82.9	Confident	141 Å²	141	60 Å²	60	61%	0.613	33%	0.332	S	S	*	.	S	Bend	trans	-136.6	65.2	-177.5	-64	-179.6	-174.9	171.8	0	111.6	E191 H192 T197 G198	E191-K195 PolarHBondContact O-N 2.74Å; H192-K195 CarbonylContact O-C 3.06Å; H192-K195 PolarHBondContact O-N 2.79Å; K195-T197 VanDerWaalsContact C-N 3.26Å; K195-T197 PolarHBondContact O-N 3.49Å; K195-G198 PolarHBondContact O-N 2.8Å
196	P	79.1	Confident	82.8	Confident	29 Å²	29	60.7 Å²	60.7	19%	0.188	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.3	-170.3	23.2	-33.8	0	0	0	113.8	H192	H192-P196 WeakPolarHBondContact O-CA 3.3Å; H192-P196 VanDerWaalsContact O-N 3.09Å
197	T	74.8	Confident	82.8	Confident	108 Å²	108	60.7 Å²	60.7	66%	0.663	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-18.4	-178.8	49.1	0	0	0	0	114.3	K195	K195-T197 VanDerWaalsContact C-N 3.26Å; K195-T197 PolarHBondContact O-N 3.49Å
198	G	61.2	Low	82.8	Confident	66 Å²	66	59.7 Å²	59.7	68%	0.68	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-20.1	-172.2	0	0	0	0	0	115.1	K195	K195-G198 PolarHBondContact O-N 2.8Å
199	Q	56.5	Low	82.8	Confident	68 Å²	68	62 Å²	62	32%	0.318	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	16.2	-177.5	-70	178.9	-12	0	0	112.6	E191 Q201 L202	E191-Q199 PolarHBondContact OE1-NE2 2.93Å; Q199-Q201 PolarHBondContact O-N 3.02Å; Q199-L202 PolarHBondContact O-N 2.79Å
200	A	55.8	Low	82.9	Confident	30 Å²	30	62 Å²	62	25%	0.248	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-16	-167.3	0	0	0	0	0	115.9	A322 T325	A200-A322 HydrophobicContact CB-CB 3.97Å; A200-T325 PolarHBondContact O-OG1 3.25Å; A200-T325 VanDerWaalsContact O-OG1 3.14Å
201	Q	57.2	Low	83	Confident	191 Å²	191	60.6 Å²	60.6	89%	0.893	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-17.3	178.9	-69.8	175	-12.5	0	0	114.7	Q199	Q199-Q201 PolarHBondContact O-N 3.02Å
202	L	77	Confident	83.1	Confident	108 Å²	108	62.6 Å²	62.6	57%	0.565	34%	0.338	S	S	*	.	S	Bend	trans	-111.9	119.9	-178.1	-126	99.2	0	0	0	111.1	Q199	Q199-L202 PolarHBondContact O-N 2.79Å
203	L	85.9	Confident	83.1	Confident	35 Å²	35	66.4 Å²	66.4	18%	0.183	35%	0.352	C	S	.	.			trans	-69	133.9	174.2	-73.6	173.3	0	0	0	110.6	V208 Y314 T325 H328 L329	L203-V208 HydrophobicContact CB-CG2 3.47Å; L203-V208 VanDerWaalsContact CB-CG2 3.47Å; L203-V208 HydrophobicContact CD1-CG2 4.12Å; L203-V208 HydrophobicContact CG-CG2 4.46Å; L203-Y314 WeakPolarHBondContact CD2-OH 3.3Å; L203-T325 HydrophobicContact CD2-CG2 3.41Å; L203-T325 VanDerWaalsContact CD2-CG2 3.41Å; L203-T325 HydrophobicContact CG-CG2 4.01Å; L203-H328 HydrophobicContact CD1-CB 3.75Å; L203-L329 HydrophobicContact CD1-CD2 3.99Å; L203-L329 HydrophobicContact CD1-CG 4.37Å; L203-L329 HydrophobicContact CD2-CD1 3.84Å; L203-L329 HydrophobicContact CD2-CD2 4.18Å; L203-L329 HydrophobicContact CD2-CG 4.12Å
204	P	91.3	Very high	83.2	Confident	12 Å²	12	65.5 Å²	65.5	8%	0.078	35%	0.348	C	S	.	.			trans	-59.3	133.7	176	-22.1	32	0	0	0	111.1	A188 A206 I207 V208 Y314	A188-P204 HydrophobicContact CB-CB 3.96Å; P204-A206 PolarHBondContact O-N 3.29Å; P204-A206 VanDerWaalsContact O-N 3.08Å; P204-I207 HydrophobicContact CB-CG1 4.08Å; P204-I207 HydrophobicContact CG-CG1 4.22Å; P204-I207 WeakPolarHBondContact O-CB 3.32Å; P204-I207 PolarHBondContact O-N 2.94Å; P204-V208 PolarHBondContact O-N 3.13Å; P204-V208 VanDerWaalsContact O-N 3.09Å; P204-Y314 WeakPolarHBondContact CD-OH 3.48Å; P204-Y314 HydrophobicContact CG-CE2 4.01Å
205	P	91.9	Very high	83.3	Confident	70 Å²	70	61.6 Å²	61.6	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-55.6	-33.1	-175.8	-28.9	34.9	0	0	0	114.3	V208 T209 L379	P205-V208 PolarHBondContact O-N 3.11Å; P205-T209 WeakPolarHBondContact O-CB 3.49Å; P205-T209 PolarHBondContact O-N 3.47Å; P205-T209 PolarHBondContact O-OG1 3.47Å; P205-L379 HydrophobicContact CB-CD1 4.38Å; P205-L379 HydrophobicContact CG-CD1 4.29Å; P205-L379 HydrophobicContact CG-CD2 4.37Å
206	A	94.4	Very high	83.4	Confident	15 Å²	15	58.8 Å²	58.8	12%	0.124	33%	0.327	C	S	.	.	H	α-helix	trans	-64.5	-39.1	176.1	0	0	0	0	0	112.5	L180 I185 A188 P204 T209 L210	L180-A206 HydrophobicContact CD1-CB 3.91Å; I185-A206 HydrophobicContact CG1-CB 4.05Å; A188-A206 HydrophobicContact CB-CB 3.93Å; P204-A206 PolarHBondContact O-N 3.29Å; P204-A206 VanDerWaalsContact O-N 3.08Å; A206-T209 PolarHBondContact O-N 3.48Å; A206-L210 PolarHBondContact O-N 2.91Å
207	I	95.6	Very high	83.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-71.5	-41.9	177.2	-58.5	-63.1	0	0	0	110.4	I185 V189 P204 T209 L210 E211 I311 Y314 L329 L332	I185-I207 HydrophobicContact CG2-CD1 4.11Å; V189-I207 HydrophobicContact CG2-CD1 3.99Å; P204-I207 HydrophobicContact CB-CG1 4.08Å; P204-I207 HydrophobicContact CG-CG1 4.22Å; P204-I207 WeakPolarHBondContact O-CB 3.32Å; P204-I207 PolarHBondContact O-N 2.94Å; I207-T209 VanDerWaalsContact C-N 3.27Å; I207-T209 PolarHBondContact O-N 2.77Å; I207-L210 WeakPolarHBondContact O-CB 3.29Å; I207-L210 PolarHBondContact O-N 2.92Å; I207-L210 VanDerWaalsContact O-N 3.15Å; I207-E211 PolarHBondContact O-N 3.21Å; I207-I311 HydrophobicContact CD1-CD1 3.69Å; I207-Y314 HydrophobicContact CB-CE1 4.46Å; I207-Y314 HydrophobicContact CD1-CD1 4.3Å; I207-Y314 HydrophobicContact CD1-CE1 4.5Å; I207-Y314 HydrophobicContact CG1-CD1 4.37Å; I207-Y314 HydrophobicContact CG1-CE1 4.09Å; I207-Y314 HydrophobicContact CG2-CD1 4.41Å; I207-Y314 HydrophobicContact CG2-CE1 3.83Å; I207-L329 HydrophobicContact CG2-CD1 4.22Å; I207-L329 HydrophobicContact CG2-CD2 3.91Å; I207-L332 HydrophobicContact CG2-CD2 3.94Å
208	V	94.3	Very high	83.8	Confident	42 Å²	42	55.2 Å²	55.2	26%	0.255	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-40.9	173.9	179.5	0	0	0	0	111	L203 P204 P205 L210 E211 R212	L203-V208 HydrophobicContact CB-CG2 3.47Å; L203-V208 VanDerWaalsContact CB-CG2 3.47Å; L203-V208 HydrophobicContact CD1-CG2 4.12Å; L203-V208 HydrophobicContact CG-CG2 4.46Å; P204-V208 PolarHBondContact O-N 3.13Å; P204-V208 VanDerWaalsContact O-N 3.09Å; P205-V208 PolarHBondContact O-N 3.11Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 2.82Å; V208-E211 PolarHBondContact O-N 3.04Å; V208-R212 WeakPolarHBondContact O-CB 3.47Å; V208-R212 PolarHBondContact O-N 3.38Å
209	T	95	Very high	84.5	Confident	62 Å²	62	60.7 Å²	60.7	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-40.2	176.1	-57.9	0	0	0	0	111.4	L180 P205 A206 I207 R213	L180-T209 HydrophobicContact CD1-CG2 4.34Å; L180-T209 HydrophobicContact CD2-CG2 3.78Å; P205-T209 WeakPolarHBondContact O-CB 3.49Å; P205-T209 PolarHBondContact O-N 3.47Å; P205-T209 PolarHBondContact O-OG1 3.47Å; A206-T209 PolarHBondContact O-N 3.48Å; I207-T209 VanDerWaalsContact C-N 3.27Å; I207-T209 PolarHBondContact O-N 2.77Å; T209-R213 WeakPolarHBondContact O-CB 3.12Å; T209-R213 PolarHBondContact O-N 2.81Å
210	L	95.5	Very high	85.5	Confident	1 Å²	1	59 Å²	59	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-47.5	174.3	178.9	62	0	0	0	111.8	W177 I185 A206 I207 V208 R212 R213 L214 L307 I311 L332	W177-L210 HydrophobicContact CH2-CD1 4.01Å; W177-L210 HydrophobicContact CZ3-CD1 4.35Å; I185-L210 HydrophobicContact CD1-CB 4.13Å; I185-L210 HydrophobicContact CD1-CD2 3.97Å; I185-L210 HydrophobicContact CD1-CG 4.45Å; A206-L210 PolarHBondContact O-N 2.91Å; I207-L210 WeakPolarHBondContact O-CB 3.29Å; I207-L210 PolarHBondContact O-N 2.92Å; I207-L210 VanDerWaalsContact O-N 3.15Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 2.82Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 2.81Å; L210-R213 WeakPolarHBondContact O-CB 3.27Å; L210-R213 PolarHBondContact O-N 2.88Å; L210-R213 VanDerWaalsContact O-N 3.12Å; L210-L214 HydrophobicContact CD1-CG 4.41Å; L210-L214 HydrophobicContact CG-CD1 4.34Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 3.06Å; L210-L307 HydrophobicContact CD1-CD1 3.91Å; L210-L307 HydrophobicContact CD2-CD1 4.15Å; L210-L307 HydrophobicContact CD2-CD2 4.47Å; L210-I311 HydrophobicContact CD2-CD1 3.88Å; L210-I311 HydrophobicContact CD2-CG1 4.27Å; L210-L332 HydrophobicContact CD2-CD1 3.49Å; L210-L332 VanDerWaalsContact CD2-CD1 3.49Å; L210-L332 HydrophobicContact CG-CD1 4.15Å
211	E	95	Very high	86.3	Confident	23 Å²	23	62.8 Å²	62.8	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-56.2	-45.5	177	179.7	65.3	-162.2	0	0	111.2	I207 V208 L214 A215 L329 P330 R331 L332	I207-E211 PolarHBondContact O-N 3.21Å; V208-E211 PolarHBondContact O-N 3.04Å; E211-L214 PolarHBondContact O-N 3.13Å; E211-A215 PolarHBondContact O-N 2.78Å; E211-L329 HydrophobicContact CB-CD2 4.19Å; E211-L329 HydrophobicContact CG-CD2 4.28Å; E211-P330 VanDerWaalsContact OE1-CD 3.25Å; E211-P330 WeakPolarHBondContact OE1-CD 3.22Å; E211-R331 WeakPolarHBondContact OE1-CB 3.47Å; E211-R331 VanDerWaalsContact OE1-CG 3.29Å; E211-R331 WeakPolarHBondContact OE1-CG 3.16Å; E211-R331 PolarHBondContact OE1-N 3.43Å; E211-R331 PolarHBondContact OE2-N 3.09Å; E211-L332 VanDerWaalsContact OE2-CB 3.22Å; E211-L332 WeakPolarHBondContact OE2-CB 3.21Å; E211-L332 PolarHBondContact OE2-N 2.89Å
212	R	93.4	Very high	87	Confident	152 Å²	152	57.9 Å²	57.9	57%	0.574	30%	0.297	S	S	*	.	H	α-helix	trans	-63.5	-41.6	176.2	-170.9	-177.1	-62.7	149.9	-1.4	111.7	V208 L210 L214 A215 E216	V208-R212 WeakPolarHBondContact O-CB 3.47Å; V208-R212 PolarHBondContact O-N 3.38Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 2.81Å; R212-L214 VanDerWaalsContact C-N 3.34Å; R212-L214 PolarHBondContact O-N 2.88Å; R212-A215 WeakPolarHBondContact O-CA 3.43Å; R212-A215 WeakPolarHBondContact O-CB 3.47Å; R212-A215 PolarHBondContact O-N 2.8Å; R212-E216 PolarHBondContact O-N 2.77Å
213	R	91.5	Very high	87	Confident	82 Å²	82	54.2 Å²	54.2	31%	0.309	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-39.8	178.7	-177.4	61.4	169.9	135.5	15.5	112	W177 T209 L210 A215 E216	W177-R213 HydrophobicContact CE3-CG 4.28Å; W177-R213 HydrophobicContact CH2-CG 3.97Å; W177-R213 HydrophobicContact CZ3-CB 4.2Å; W177-R213 HydrophobicContact CZ3-CG 3.57Å; T209-R213 WeakPolarHBondContact O-CB 3.12Å; T209-R213 PolarHBondContact O-N 2.81Å; L210-R213 WeakPolarHBondContact O-CB 3.27Å; L210-R213 PolarHBondContact O-N 2.88Å; L210-R213 VanDerWaalsContact O-N 3.12Å; R213-A215 PolarHBondContact O-N 3.39Å; R213-E216 WeakPolarHBondContact CD-OE2 3.37Å; R213-E216 IonicContact CZ-OE2 3.98Å; R213-E216 IonicContact NE-OE2 3.01Å; R213-E216 IonicContact NH1-OE2 2.83Å; R213-E216 PolarHBondContact NH1-OE2 2.86Å; R213-E216 WeakPolarHBondContact O-CB 3.48Å; R213-E216 PolarHBondContact O-N 3.1Å; R213-E216 VanDerWaalsContact O-N 3.1Å
214	L	90.6	Very high	86.6	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.063	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14	173.7	-67.5	172	0	0	0	112.9	L210 E211 R212 H292 R331 L332 W335	L210-L214 HydrophobicContact CD1-CG 4.41Å; L210-L214 HydrophobicContact CG-CD1 4.34Å; L210-L214 WeakPolarHBondContact O-CG 3.43Å; L210-L214 PolarHBondContact O-N 3.06Å; E211-L214 PolarHBondContact O-N 3.13Å; R212-L214 VanDerWaalsContact C-N 3.34Å; R212-L214 PolarHBondContact O-N 2.88Å; L214-H292 HydrophobicContact CD2-CB 4.15Å; L214-R331 HydrophobicContact CB-CB 3.94Å; L214-R331 HydrophobicContact CD1-CB 4.41Å; L214-L332 HydrophobicContact CD1-CD1 4.27Å; L214-W335 HydrophobicContact CD1-CB 3.98Å; L214-W335 HydrophobicContact CD1-CG 4.37Å; L214-W335 HydrophobicContact CD2-CG 4.5Å
215	A	88.1	Confident	85.8	Confident	47 Å²	47	59.8 Å²	59.8	39%	0.388	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-16.8	174.1	0	0	0	0	0	113.8	E211 R212 R213 R331	E211-A215 PolarHBondContact O-N 2.78Å; R212-A215 WeakPolarHBondContact O-CA 3.43Å; R212-A215 WeakPolarHBondContact O-CB 3.47Å; R212-A215 PolarHBondContact O-N 2.8Å; R213-A215 PolarHBondContact O-N 3.39Å; A215-R331 VanDerWaalsContact CB-NE 3.29Å
216	E	86.8	Confident	85	Confident	82 Å²	82	58 Å²	58	38%	0.383	29%	0.288	S	S	.	.	S	Bend	trans	-75.1	148.5	-176.7	-65.4	177.4	-170.7	0	0	111.4	R212 R213 H292	R212-E216 PolarHBondContact O-N 2.77Å; R213-E216 WeakPolarHBondContact CD-OE2 3.37Å; R213-E216 IonicContact CZ-OE2 3.98Å; R213-E216 IonicContact NE-OE2 3.01Å; R213-E216 IonicContact NH1-OE2 2.83Å; R213-E216 PolarHBondContact NH1-OE2 2.86Å; R213-E216 WeakPolarHBondContact O-CB 3.48Å; R213-E216 PolarHBondContact O-N 3.1Å; R213-E216 VanDerWaalsContact O-N 3.1Å; E216-H292 PolarHBondContact O-CD2 3.26Å
217	P	81.2	Confident	84.2	Confident	61 Å²	61	58.5 Å²	58.5	40%	0.396	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-68.1	138	177.5	26.6	-33.6	0	0	0	111.3
218	V	81.8	Confident	83.4	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-75.5	139.4	-178	176.7	0	0	0	0	111	V220 R227 L290 E291 H292 L298	V218-V220 HydrophobicContact CG1-CG1 3.69Å; V218-R227 PolarHBondContact O-NH2 2.88Å; V218-L290 HydrophobicContact CB-CB 4.05Å; V218-L290 PolarHBondContact N-O 3.13Å; V218-E291 WeakPolarHBondContact CG2-O 3.39Å; V218-H292 HydrophobicContact CG2-CB 4.14Å; V218-H292 WeakPolarHBondContact CG2-CD2 3.45Å; V218-H292 VanDerWaalsContact CG2-N 3.3Å; V218-L298 HydrophobicContact CG1-CG 4.34Å
219	K	76.3	Confident	82.5	Confident	181 Å²	181	62.6 Å²	62.6	79%	0.787	30%	0.301	S	S	*	.			trans	-121.1	112.3	168.2	-64.6	-175.9	-177.2	177.3	0	109.5
220	V	77.8	Confident	81.7	Confident	32 Å²	32	61 Å²	61	19%	0.194	29%	0.289	C	S	.	.			trans	-115.3	165.2	177.9	-74	0	0	0	0	112.1	V218 N222 D223 I226 L290 L298 Y299	V218-V220 HydrophobicContact CG1-CG1 3.69Å; V220-N222 PolarHBondContact O-N 2.87Å; V220-D223 HydrophobicContact CG2-CB 4.22Å; V220-D223 VanDerWaalsContact O-CB 3.24Å; V220-D223 WeakPolarHBondContact O-CB 3.4Å; V220-D223 PolarHBondContact O-N 2.74Å; V220-D223 VanDerWaalsContact O-N 3.15Å; V220-I226 HydrophobicContact CG2-CD1 3.71Å; V220-L290 HydrophobicContact CG2-CD1 3.91Å; V220-L298 HydrophobicContact CG1-CD1 4.44Å; V220-L298 HydrophobicContact CG1-CG 4.31Å; V220-L298 HydrophobicContact CG2-CD1 4.16Å; V220-Y299 HydrophobicContact CG1-CE2 4.37Å
221	H	72	Confident	81	Confident	109 Å²	109	61.9 Å²	61.9	51%	0.505	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	133.8	166.7	-177.3	49.7	0	0	0	109.8	F163 D223	F163-H221 HydrophobicContact CD1-CB 4.49Å; F163-H221 HydrophobicContact CD2-CB 4.23Å; F163-H221 HydrophobicContact CE1-CB 4.16Å; F163-H221 HydrophobicContact CE2-CB 3.91Å; F163-H221 AromaticContact CE2-CD2 3.42Å; F163-H221 VanDerWaalsContact CE2-CD2 3.42Å; F163-H221 WeakPolarHBondContact CE2-CD2 3.42Å; F163-H221 AromaticContact CE2-CG 3.74Å; F163-H221 HydrophobicContact CZ-CB 3.86Å; F163-H221 AromaticContact CZ-CD2 3.57Å; F163-H221 AromaticContact CZ-CG 3.56Å; H221-D223 VanDerWaalsContact C-N 3.27Å; H221-D223 PolarHBondContact O-N 2.86Å
222	N	72.3	Confident	80.1	Confident	88 Å²	88	62.2 Å²	62.2	47%	0.471	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	27.8	-171.9	-52.9	-42.1	0	0	0	114.4	V220 D224 K225 I226	V220-N222 PolarHBondContact O-N 2.87Å; N222-D224 VanDerWaalsContact C-N 3.31Å; N222-D224 PolarHBondContact O-N 2.81Å; N222-K225 HydrophobicContact CB-CB 4.18Å; N222-K225 WeakPolarHBondContact O-CA 3.28Å; N222-K225 WeakPolarHBondContact O-CB 3.15Å; N222-K225 PolarHBondContact O-N 2.94Å; N222-I226 PolarHBondContact O-N 3.29Å; N222-I226 VanDerWaalsContact O-N 3.12Å
223	D	76.6	Confident	79	Confident	31 Å²	31	58.9 Å²	58.9	17%	0.166	29%	0.286	C	S	.	.	H	α-helix	trans	-43.4	-51.7	176	178.4	68.3	0	0	0	113.2	V220 H221 K225 I226 R227 L290	V220-D223 HydrophobicContact CG2-CB 4.22Å; V220-D223 VanDerWaalsContact O-CB 3.24Å; V220-D223 WeakPolarHBondContact O-CB 3.4Å; V220-D223 PolarHBondContact O-N 2.74Å; V220-D223 VanDerWaalsContact O-N 3.15Å; H221-D223 VanDerWaalsContact C-N 3.27Å; H221-D223 PolarHBondContact O-N 2.86Å; D223-K225 VanDerWaalsContact C-N 3.28Å; D223-K225 PolarHBondContact O-N 3.46Å; D223-I226 PolarHBondContact O-N 2.88Å; D223-I226 VanDerWaalsContact O-N 3.1Å; D223-R227 WeakPolarHBondContact O-CG 3.27Å; D223-R227 PolarHBondContact O-N 3.44Å; D223-R227 IonicContact OD1-CZ 2.8Å; D223-R227 IonicContact OD1-NE 3.56Å; D223-R227 PolarHBondContact OD1-NE 2.79Å; D223-R227 IonicContact OD1-NH2 3.13Å; D223-R227 PolarHBondContact OD1-NH2 3.44Å; D223-R227 IonicContact OD2-CZ 2.88Å; D223-R227 IonicContact OD2-NE 2.84Å; D223-R227 PolarHBondContact OD2-NE 3.17Å; D223-R227 IonicContact OD2-NH1 2.82Å; D223-R227 IonicContact OD2-NH2 3.24Å; D223-R227 PolarHBondContact OD2-NH2 3.25Å; D223-L290 WeakPolarHBondContact OD1-CD1 3.25Å
224	D	76.2	Confident	78.4	Confident	50 Å²	50	56.9 Å²	56.9	27%	0.267	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-37.9	180	-149.2	78.1	0	0	0	112.6	N222 R228 T284	N222-D224 VanDerWaalsContact C-N 3.31Å; N222-D224 PolarHBondContact O-N 2.81Å; D224-R228 WeakPolarHBondContact O-CB 3.47Å; D224-R228 WeakPolarHBondContact O-CG 3.42Å; D224-R228 PolarHBondContact O-N 2.96Å; D224-R228 VanDerWaalsContact O-N 3.09Å; D224-R228 IonicContact OD1-NH2 3.41Å; D224-R228 IonicContact OD2-CZ 3.06Å; D224-R228 VanDerWaalsContact OD2-CZ 3.24Å; D224-R228 IonicContact OD2-NE 3.95Å; D224-R228 PolarHBondContact OD2-NE 3.3Å; D224-R228 IonicContact OD2-NH2 2.98Å; D224-R228 PolarHBondContact OD2-NH2 3Å; D224-T284 WeakPolarHBondContact OD1-CB 3.33Å; D224-T284 WeakPolarHBondContact OD1-CG2 3.49Å; D224-T284 PolarHBondContact OD1-OG1 2.95Å
225	K	75.8	Confident	77.7	Confident	114 Å²	114	60.9 Å²	60.9	50%	0.496	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-44.6	177	-176.4	-177.4	177.4	-178.7	0	111.1	N222 D223 R228 Q229	N222-K225 HydrophobicContact CB-CB 4.18Å; N222-K225 WeakPolarHBondContact O-CA 3.28Å; N222-K225 WeakPolarHBondContact O-CB 3.15Å; N222-K225 PolarHBondContact O-N 2.94Å; D223-K225 VanDerWaalsContact C-N 3.28Å; D223-K225 PolarHBondContact O-N 3.46Å; K225-R228 PolarHBondContact O-N 3.35Å; K225-Q229 WeakPolarHBondContact O-CG 3.38Å; K225-Q229 PolarHBondContact O-N 2.86Å
226	I	74.1	Confident	77	Confident	32 Å²	32	63 Å²	63	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-42.2	-177.9	-62.6	168	0	0	0	110.1	V220 N222 D223 R228 Q229 K230 L290 L298	V220-I226 HydrophobicContact CG2-CD1 3.71Å; N222-I226 PolarHBondContact O-N 3.29Å; N222-I226 VanDerWaalsContact O-N 3.12Å; D223-I226 PolarHBondContact O-N 2.88Å; D223-I226 VanDerWaalsContact O-N 3.1Å; I226-R228 VanDerWaalsContact C-N 3.29Å; I226-R228 PolarHBondContact O-N 3Å; I226-Q229 WeakPolarHBondContact O-CB 3.48Å; I226-Q229 PolarHBondContact O-N 3.25Å; I226-Q229 VanDerWaalsContact O-N 3.17Å; I226-K230 PolarHBondContact O-N 2.96Å; I226-L290 HydrophobicContact CB-CD1 4.17Å; I226-L290 HydrophobicContact CG2-CD1 3.95Å; I226-L290 HydrophobicContact CG2-CD2 3.97Å; I226-L298 HydrophobicContact CD1-CD1 4.31Å; I226-L298 HydrophobicContact CG2-CD1 4.14Å
227	R	78.6	Confident	76	Confident	26 Å²	26	64.1 Å²	64.1	10%	0.098	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-36.1	175.7	-65.1	-179.4	-173.6	-155.1	1.2	112.6	V218 D223 K230 L231 L287 P288 L290	V218-R227 PolarHBondContact O-NH2 2.88Å; D223-R227 WeakPolarHBondContact O-CG 3.27Å; D223-R227 PolarHBondContact O-N 3.44Å; D223-R227 IonicContact OD1-CZ 2.8Å; D223-R227 IonicContact OD1-NE 3.56Å; D223-R227 PolarHBondContact OD1-NE 2.79Å; D223-R227 IonicContact OD1-NH2 3.13Å; D223-R227 PolarHBondContact OD1-NH2 3.44Å; D223-R227 IonicContact OD2-CZ 2.88Å; D223-R227 IonicContact OD2-NE 2.84Å; D223-R227 PolarHBondContact OD2-NE 3.17Å; D223-R227 IonicContact OD2-NH1 2.82Å; D223-R227 IonicContact OD2-NH2 3.24Å; D223-R227 PolarHBondContact OD2-NH2 3.25Å; R227-K230 PolarHBondContact O-N 2.91Å; R227-L231 PolarHBondContact O-N 2.8Å; R227-L287 HydrophobicContact CB-CB 3.89Å; R227-L287 HydrophobicContact CB-CD1 4.05Å; R227-L287 HydrophobicContact CB-CG 4.49Å; R227-P288 WeakPolarHBondContact CD-O 3.23Å; R227-P288 VanDerWaalsContact CG-O 3.25Å; R227-P288 WeakPolarHBondContact CG-O 3.38Å; R227-L290 HydrophobicContact CG-CD1 3.93Å; R227-L290 HydrophobicContact CG-CD2 3.86Å; R227-L290 HydrophobicContact CG-CG 3.64Å
228	R	78.4	Confident	75.4	Confident	41 Å²	41	68.8 Å²	68.8	16%	0.155	31%	0.313	C	S	.	.	H	α-helix	trans	-68.3	-38.2	173.7	-73.7	174.7	-164	-76.4	-4.6	112.7	D224 K225 I226 L231 Q232 I279 V282 L287	D224-R228 WeakPolarHBondContact O-CB 3.47Å; D224-R228 WeakPolarHBondContact O-CG 3.42Å; D224-R228 PolarHBondContact O-N 2.96Å; D224-R228 VanDerWaalsContact O-N 3.09Å; D224-R228 IonicContact OD1-NH2 3.41Å; D224-R228 IonicContact OD2-CZ 3.06Å; D224-R228 VanDerWaalsContact OD2-CZ 3.24Å; D224-R228 IonicContact OD2-NE 3.95Å; D224-R228 PolarHBondContact OD2-NE 3.3Å; D224-R228 IonicContact OD2-NH2 2.98Å; D224-R228 PolarHBondContact OD2-NH2 3Å; K225-R228 PolarHBondContact O-N 3.35Å; I226-R228 VanDerWaalsContact C-N 3.29Å; I226-R228 PolarHBondContact O-N 3Å; R228-L231 PolarHBondContact O-N 3.27Å; R228-Q232 PolarHBondContact O-N 3.5Å; R228-I279 HydrophobicContact CB-CG2 4.01Å; R228-I279 HydrophobicContact CG-CG2 4.28Å; R228-I279 PolarHBondContact NH1-O 2.93Å; R228-V282 PolarHBondContact NH1-O 2.97Å; R228-V282 PolarHBondContact NH2-O 3.09Å; R228-L287 HydrophobicContact CG-CD1 3.83Å; R228-L287 HydrophobicContact CG-CD2 3.67Å; R228-L287 HydrophobicContact CG-CG 4.44Å
229	Q	75.6	Confident	74.7	Confident	87 Å²	87	76.7 Å²	76.7	41%	0.407	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-45.5	172.5	-73	176.1	-22.3	0	0	111.2	K225 I226 L231 Q232 E233	K225-Q229 WeakPolarHBondContact O-CG 3.38Å; K225-Q229 PolarHBondContact O-N 2.86Å; I226-Q229 WeakPolarHBondContact O-CB 3.48Å; I226-Q229 PolarHBondContact O-N 3.25Å; I226-Q229 VanDerWaalsContact O-N 3.17Å; Q229-L231 VanDerWaalsContact C-N 3.31Å; Q229-L231 PolarHBondContact O-N 3.44Å; Q229-Q232 WeakPolarHBondContact O-CB 3.28Å; Q229-Q232 PolarHBondContact O-N 3.33Å; Q229-Q232 VanDerWaalsContact O-N 3.08Å; Q229-E233 PolarHBondContact O-N 2.93Å
230	K	77.8	Confident	73.9	Confident	29 Å²	29	74.7 Å²	74.7	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-55.2	-45.6	173.8	-174.1	173.6	-178.2	174.3	0	111.6	I226 R227 Q232 E233 Q234 E255 P288 E289 L290	I226-K230 PolarHBondContact O-N 2.96Å; R227-K230 PolarHBondContact O-N 2.91Å; K230-Q232 PolarHBondContact O-N 3.31Å; K230-E233 PolarHBondContact O-N 3.18Å; K230-Q234 WeakPolarHBondContact O-CB 3.47Å; K230-Q234 VanDerWaalsContact O-CG 3.24Å; K230-Q234 WeakPolarHBondContact O-CG 3.41Å; K230-Q234 PolarHBondContact O-N 3.11Å; K230-E255 WeakPolarHBondContact CE-OE1 3.44Å; K230-E255 IonicContact NZ-OE1 2.77Å; K230-E255 PolarHBondContact NZ-OE1 3.48Å; K230-P288 HydrophobicContact CB-CG 4.2Å; K230-P288 HydrophobicContact CD-CB 4.24Å; K230-P288 HydrophobicContact CD-CG 4.15Å; K230-P288 HydrophobicContact CG-CG 4.06Å; K230-E289 PolarHBondContact NZ-O 3.1Å; K230-L290 HydrophobicContact CD-CD2 3.95Å
231	L	80.7	Confident	72.4	Confident	19 Å²	19	76.3 Å²	76.3	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-64.4	-38.9	176	-176.4	62.9	0	0	0	112.9	R227 R228 Q229 R235 V282 L287 P288	R227-L231 PolarHBondContact O-N 2.8Å; R228-L231 PolarHBondContact O-N 3.27Å; Q229-L231 VanDerWaalsContact C-N 3.31Å; Q229-L231 PolarHBondContact O-N 3.44Å; L231-R235 WeakPolarHBondContact O-CG 3.49Å; L231-R235 PolarHBondContact O-N 3.29Å; L231-R235 VanDerWaalsContact O-N 3.11Å; L231-V282 HydrophobicContact CD2-CB 4.36Å; L231-V282 HydrophobicContact CD2-CG1 4.16Å; L231-V282 HydrophobicContact CD2-CG2 3.96Å; L231-L287 HydrophobicContact CD2-CD2 3.96Å; L231-P288 HydrophobicContact CB-CG 4.17Å
232	Q	77.3	Confident	71	Confident	30 Å²	30	74.8 Å²	74.8	14%	0.14	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-47.5	177.4	-174	168.6	-12.8	0	0	111.4	R228 Q229 K230 R235 Q236 I279	R228-Q232 PolarHBondContact O-N 3.5Å; Q229-Q232 WeakPolarHBondContact O-CB 3.28Å; Q229-Q232 PolarHBondContact O-N 3.33Å; Q229-Q232 VanDerWaalsContact O-N 3.08Å; K230-Q232 PolarHBondContact O-N 3.31Å; Q232-R235 PolarHBondContact O-N 3.05Å; Q232-Q236 WeakPolarHBondContact O-CG 3.42Å; Q232-Q236 PolarHBondContact O-N 3.28Å; Q232-I279 HydrophobicContact CB-CD1 3.51Å; Q232-I279 HydrophobicContact CG-CD1 3.52Å
233	E	70.5	Confident	69.5	Low	82 Å²	82	76.5 Å²	76.5	38%	0.383	39%	0.391	S	S	.	.	H	α-helix	trans	-70.3	-38	-178.1	-70.1	178.6	-175.2	0	0	111.8	Q229 K230 R235 Q236 R237	Q229-E233 PolarHBondContact O-N 2.93Å; K230-E233 PolarHBondContact O-N 3.18Å; E233-R235 VanDerWaalsContact C-N 3.33Å; E233-R235 PolarHBondContact O-N 3.01Å; E233-Q236 PolarHBondContact O-N 2.87Å; E233-R237 WeakPolarHBondContact O-CG 3.35Å; E233-R237 PolarHBondContact O-N 3.49Å
234	Q	77.3	Confident	67.9	Low	41 Å²	41	84.9 Å²	84.9	19%	0.192	43%	0.429	C	S	.	.	H	α-helix	trans	-56.3	-46.7	171.6	-77.5	176.4	-5.1	0	0	111.7	K230 R237 Q238 L251	K230-Q234 WeakPolarHBondContact O-CB 3.47Å; K230-Q234 VanDerWaalsContact O-CG 3.24Å; K230-Q234 WeakPolarHBondContact O-CG 3.41Å; K230-Q234 PolarHBondContact O-N 3.11Å; Q234-R237 PolarHBondContact O-N 3.2Å; Q234-Q238 WeakPolarHBondContact O-CG 3.32Å; Q234-Q238 PolarHBondContact O-N 3.16Å; Q234-Q238 VanDerWaalsContact O-N 3.09Å; Q234-L251 HydrophobicContact CG-CD1 4.04Å
235	R	77.4	Confident	65.8	Low	96 Å²	96	85.7 Å²	85.7	36%	0.362	45%	0.449	S	S	.	.	H	α-helix	trans	-68.8	-32.6	177.6	-72.3	-178.1	175.5	-162.5	0.4	113.2	L231 Q232 E233 K239	L231-R235 WeakPolarHBondContact O-CG 3.49Å; L231-R235 PolarHBondContact O-N 3.29Å; L231-R235 VanDerWaalsContact O-N 3.11Å; Q232-R235 PolarHBondContact O-N 3.05Å; E233-R235 VanDerWaalsContact C-N 3.33Å; E233-R235 PolarHBondContact O-N 3.01Å; R235-K239 WeakPolarHBondContact O-CG 3.29Å; R235-K239 PolarHBondContact O-N 3.38Å
236	Q	72.3	Confident	63.8	Low	92 Å²	92	89.5 Å²	89.5	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-69.7	-39.4	175.3	-77.1	177.4	-5.7	0	0	111.8	Q232 E233 K239 N240	Q232-Q236 WeakPolarHBondContact O-CG 3.42Å; Q232-Q236 PolarHBondContact O-N 3.28Å; E233-Q236 PolarHBondContact O-N 2.87Å; Q236-K239 PolarHBondContact O-N 3.02Å; Q236-N240 PolarHBondContact O-N 2.91Å; Q236-N240 VanDerWaalsContact O-N 3.14Å
237	R	66.1	Low	62	Low	104 Å²	104	91.8 Å²	91.8	39%	0.392	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-41.5	175.6	-74.1	-179.3	173.7	-164.1	-3.5	112.5	E233 Q234 K239 N240 E250 L254	E233-R237 WeakPolarHBondContact O-CG 3.35Å; E233-R237 PolarHBondContact O-N 3.49Å; Q234-R237 PolarHBondContact O-N 3.2Å; R237-K239 PolarHBondContact O-N 3.08Å; R237-N240 PolarHBondContact O-N 3.32Å; R237-N240 VanDerWaalsContact O-N 3.12Å; R237-E250 PolarHBondContact NH1-O 3.41Å; R237-L254 VanDerWaalsContact NH2-CD2 3.3Å
238	Q	68.8	Low	59.7	Low	159 Å²	159	99.8 Å²	99.8	74%	0.743	54%	0.535	S	S	*	.	H	α-helix	trans	-59.4	-32.1	173	-74.3	174.4	-4.8	0	0	112.6	Q234	Q234-Q238 WeakPolarHBondContact O-CG 3.32Å; Q234-Q238 PolarHBondContact O-N 3.16Å; Q234-Q238 VanDerWaalsContact O-N 3.09Å
239	K	66.4	Low	58	Low	168 Å²	168	101.5 Å²	101.5	73%	0.73	55%	0.552	S	S	*	*	H	α-helix	trans	-78.3	-24.4	176.3	-76	-179.6	177.4	-173.7	0	114.2	R235 Q236 R237	R235-K239 WeakPolarHBondContact O-CG 3.29Å; R235-K239 PolarHBondContact O-N 3.38Å; Q236-K239 PolarHBondContact O-N 3.02Å; R237-K239 PolarHBondContact O-N 3.08Å
240	N	59.5	Low	56.5	Low	139 Å²	139	105.1 Å²	105.1	74%	0.743	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	4.7	-175.2	-72	-1.9	0	0	0	114.1	Q236 R237	Q236-N240 PolarHBondContact O-N 2.91Å; Q236-N240 VanDerWaalsContact O-N 3.14Å; R237-N240 PolarHBondContact O-N 3.32Å; R237-N240 VanDerWaalsContact O-N 3.12Å
241	G	47.3	Very low	54.8	Low	65 Å²	65	108.1 Å²	108.1	67%	0.67	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.2	45.6	166.8	0	0	0	0	0	115.8
242	A	41.6	Very low	53.3	Low	77 Å²	77	109.9 Å²	109.9	64%	0.636	59%	0.593	S	S	*	*			trans	-71.7	133.2	164.3	0	0	0	0	0	109.3	E244	A242-E244 PolarHBondContact O-N 2.85Å
243	P	41.7	Very low	52.4	Low	125 Å²	125	110.3 Å²	110.3	81%	0.812	61%	0.606	S	S	*	*			trans	-68	130.4	-176.9	27	-31.4	0	0	0	110.7	G245	P243-G245 VanDerWaalsContact C-N 3.31Å; P243-G245 PolarHBondContact O-N 3.17Å
244	E	41.8	Very low	52	Low	207 Å²	207	108 Å²	108	97%	0.967	60%	0.597	S	S	*	*			trans	-70.5	86.8	167.7	-69.6	-177.7	159.8	0	0	108.9	A242	A242-E244 PolarHBondContact O-N 2.85Å
245	G	33.2	Very low	51.5	Low	66 Å²	66	107 Å²	107	68%	0.68	59%	0.592	S	S	*	*			trans	-105.8	114.7	171	0	0	0	0	0	111.1	P243	P243-G245 VanDerWaalsContact C-N 3.31Å; P243-G245 PolarHBondContact O-N 3.17Å
246	E	33.1	Very low	51	Low	195 Å²	195	103.1 Å²	103.1	91%	0.911	58%	0.578	S	S	*	*	S	Bend	trans	30.4	93.5	161.6	-62.7	-173.6	168.6	0	0	118.5	K248	E246-K248 PolarHBondContact O-N 3.26Å
247	G	37.3	Very low	50.8	Low	80 Å²	80	107.6 Å²	107.6	83%	0.825	59%	0.591	S	S	*	*	S	Bend	trans	20	81.8	153.3	0	0	0	0	0	119.8
248	K	30.8	Very low	50.9	Low	193 Å²	193	105.5 Å²	105.5	84%	0.839	60%	0.596	S	S	*	*			trans	-161.5	164.5	151.5	-106.5	177.4	-174.2	-178.3	0	110.6	E246 E250	E246-K248 PolarHBondContact O-N 3.26Å; K248-E250 PolarHBondContact O-N 3.21Å
249	P	42.2	Very low	50.9	Low	77 Å²	77	98.1 Å²	98.1	50%	0.5	56%	0.562	S	S	.	*			trans	-93.5	82.1	-140.9	36.2	-37.3	0	0	0	116.1	E252	P249-E252 HydrophobicContact CB-CB 4.43Å; P249-E252 HydrophobicContact CB-CG 3.81Å; P249-E252 WeakPolarHBondContact CB-OE1 3.42Å
250	E	43	Very low	51.2	Low	164 Å²	164	91.8 Å²	91.8	77%	0.766	54%	0.536	S	S	*	.	S	Bend	trans	-87.6	-10.3	175.9	-71.5	-168.2	155.4	0	0	115	R237 K248 E252	R237-E250 PolarHBondContact NH1-O 3.41Å; K248-E250 PolarHBondContact O-N 3.21Å; E250-E252 VanDerWaalsContact C-N 3.25Å; E250-E252 PolarHBondContact O-N 3.03Å
251	L	42.7	Very low	51.6	Low	91 Å²	91	87.4 Å²	87.4	48%	0.476	52%	0.519	S	S	.	.	S	Bend	trans	-72.5	-22.9	175.3	-152.5	70.8	0	0	0	112.1	Q234	Q234-L251 HydrophobicContact CG-CD1 4.04Å
252	E	49.6	Very low	52.6	Low	56 Å²	56	89.3 Å²	89.3	26%	0.262	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-21.9	-169.2	-57.8	-176.6	174.4	0	0	113.9	P249 E250 L254 R334 R338	P249-E252 HydrophobicContact CB-CB 4.43Å; P249-E252 HydrophobicContact CB-CG 3.81Å; P249-E252 WeakPolarHBondContact CB-OE1 3.42Å; E250-E252 VanDerWaalsContact C-N 3.25Å; E250-E252 PolarHBondContact O-N 3.03Å; E252-L254 PolarHBondContact O-N 3.36Å; E252-R334 VanDerWaalsContact CG-NH2 3.26Å; E252-R334 IonicContact OE1-CZ 2.81Å; E252-R334 IonicContact OE1-NE 3.85Å; E252-R334 IonicContact OE1-NH1 3.66Å; E252-R334 IonicContact OE1-NH2 2.73Å; E252-R334 PolarHBondContact OE1-NH2 2.81Å; E252-R334 VanDerWaalsContact OE1-NH2 3.13Å; E252-R334 IonicContact OE2-CZ 2.78Å; E252-R334 IonicContact OE2-NE 3.99Å; E252-R334 PolarHBondContact OE2-NE 3.09Å; E252-R334 IonicContact OE2-NH2 3.29Å; E252-R334 PolarHBondContact OE2-NH2 3.49Å; E252-R338 IonicContact OE2-NH2 3.4Å
253	G	58.8	Low	53.6	Low	40 Å²	40	86.4 Å²	86.4	41%	0.412	48%	0.482	S	S	.	.	H	α-helix	trans	-71	-15.3	-179.9	0	0	0	0	0	114.4	R257	G253-R257 WeakPolarHBondContact O-CB 3.25Å; G253-R257 PolarHBondContact O-N 3.2Å
254	L	61.5	Low	54.5	Low	34 Å²	34	82.9 Å²	82.9	18%	0.178	46%	0.464	C	S	.	.	H	α-helix	trans	-73	-48	-179.3	-76	172.1	0	0	0	112.6	R237 E252 L256 R257 A258	R237-L254 VanDerWaalsContact NH2-CD2 3.3Å; E252-L254 PolarHBondContact O-N 3.36Å; L254-L256 VanDerWaalsContact C-N 3.29Å; L254-L256 PolarHBondContact O-N 2.86Å; L254-R257 PolarHBondContact O-N 2.92Å; L254-A258 WeakPolarHBondContact O-CB 3.15Å; L254-A258 PolarHBondContact O-N 3.14Å
255	E	67.4	Low	54.8	Low	20 Å²	20	79 Å²	79	9%	0.093	45%	0.454	C	S	.	.	H	α-helix	trans	-64.4	-40.2	178.4	-65.6	177	158	0	0	110.3	K230 A258 A259 V293 L298	K230-E255 WeakPolarHBondContact CE-OE1 3.44Å; K230-E255 IonicContact NZ-OE1 2.77Å; K230-E255 PolarHBondContact NZ-OE1 3.48Å; E255-A258 PolarHBondContact O-N 3.21Å; E255-A259 VanDerWaalsContact O-CB 3.23Å; E255-A259 WeakPolarHBondContact O-CB 3.38Å; E255-A259 PolarHBondContact O-N 3Å; E255-V293 HydrophobicContact CB-CG2 3.52Å; E255-L298 HydrophobicContact CB-CD2 4.36Å; E255-L298 HydrophobicContact CG-CD2 4.48Å
256	L	66.6	Low	55.2	Low	14 Å²	14	82.3 Å²	82.3	7%	0.073	46%	0.456	C	S	.	.	H	α-helix	trans	-63	-48	173.9	-175.2	59.9	0	0	0	111.8	L254 A258 A259 L260 V293 F294 R338 E341	L254-L256 VanDerWaalsContact C-N 3.29Å; L254-L256 PolarHBondContact O-N 2.86Å; L256-A258 PolarHBondContact O-N 3.12Å; L256-A259 PolarHBondContact O-N 3.11Å; L256-L260 HydrophobicContact CD1-CD1 4.12Å; L256-L260 HydrophobicContact CD1-CG 4.13Å; L256-L260 HydrophobicContact CG-CD1 3.99Å; L256-L260 HydrophobicContact CG-CG 4.39Å; L256-L260 WeakPolarHBondContact O-CB 3.42Å; L256-L260 VanDerWaalsContact O-CG 3.24Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 2.9Å; L256-V293 HydrophobicContact CB-CG1 4.23Å; L256-V293 HydrophobicContact CD1-CG1 3.59Å; L256-F294 HydrophobicContact CD1-CE2 4.44Å; L256-F294 HydrophobicContact CD1-CZ 4.09Å; L256-R338 HydrophobicContact CD1-CB 4.13Å; L256-R338 HydrophobicContact CD1-CG 4.13Å; L256-R338 HydrophobicContact CD2-CG 4.03Å; L256-E341 WeakPolarHBondContact CD2-OE2 3.37Å
257	R	68.4	Low	55.2	Low	186 Å²	186	78.5 Å²	78.5	70%	0.702	45%	0.451	S	S	*	.	H	α-helix	trans	-61.3	-42.2	177.1	-175.8	179.2	-74.8	176	-3.5	112.2	G253 L254 A259 A261	G253-R257 WeakPolarHBondContact O-CB 3.25Å; G253-R257 PolarHBondContact O-N 3.2Å; L254-R257 PolarHBondContact O-N 2.92Å; R257-A259 VanDerWaalsContact C-N 3.35Å; R257-A261 VanDerWaalsContact O-CB 3.29Å; R257-A261 WeakPolarHBondContact O-CB 3.41Å; R257-A261 PolarHBondContact O-N 2.84Å
258	A	66.4	Low	55	Low	60 Å²	60	80.2 Å²	80.2	50%	0.496	45%	0.445	S	S	.	.	H	α-helix	trans	-66.9	-36	176.9	0	0	0	0	0	112.4	L254 E255 L256	L254-A258 WeakPolarHBondContact O-CB 3.15Å; L254-A258 PolarHBondContact O-N 3.14Å; E255-A258 PolarHBondContact O-N 3.21Å; L256-A258 PolarHBondContact O-N 3.12Å
259	A	69.9	Low	55	Low	3 Å²	3	76.4 Å²	76.4	3%	0.025	44%	0.441	C	S	.	.	H	α-helix	trans	-68.1	-47.9	175.1	0	0	0	0	0	112	E255 L256 R257 A261 K262 V293 F294 L298	E255-A259 VanDerWaalsContact O-CB 3.23Å; E255-A259 WeakPolarHBondContact O-CB 3.38Å; E255-A259 PolarHBondContact O-N 3Å; L256-A259 PolarHBondContact O-N 3.11Å; R257-A259 VanDerWaalsContact C-N 3.35Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3.13Å; A259-K262 WeakPolarHBondContact O-CB 3.48Å; A259-K262 PolarHBondContact O-N 3.05Å; A259-K262 VanDerWaalsContact O-N 3.14Å; A259-V293 HydrophobicContact CB-CG1 4.43Å; A259-F294 HydrophobicContact CB-CD2 4.5Å; A259-F294 HydrophobicContact CB-CE2 3.93Å; A259-L298 WeakPolarHBondContact CB-O 3.36Å
260	L	72.1	Confident	54.4	Low	36 Å²	36	77.5 Å²	77.5	19%	0.188	46%	0.456	C	S	.	.	H	α-helix	trans	-63.6	-35.6	177.6	-67.5	176.7	0	0	0	111.9	L256 K262 L263 A264 V342	L256-L260 HydrophobicContact CD1-CD1 4.12Å; L256-L260 HydrophobicContact CD1-CG 4.13Å; L256-L260 HydrophobicContact CG-CD1 3.99Å; L256-L260 HydrophobicContact CG-CG 4.39Å; L256-L260 WeakPolarHBondContact O-CB 3.42Å; L256-L260 VanDerWaalsContact O-CG 3.24Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 2.9Å; L260-K262 PolarHBondContact O-N 3.05Å; L260-L263 HydrophobicContact CD2-CD1 4.39Å; L260-L263 WeakPolarHBondContact O-CB 3.31Å; L260-L263 PolarHBondContact O-N 3.42Å; L260-A264 PolarHBondContact O-N 3.04Å; L260-A264 VanDerWaalsContact O-N 3.13Å; L260-V342 HydrophobicContact CD2-CB 4.46Å; L260-V342 HydrophobicContact CD2-CG2 3.98Å
261	A	67.2	Low	53.9	Low	47 Å²	47	72.6 Å²	72.6	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-61.6	-23.4	175.6	0	0	0	0	0	113.6	R257 A259	R257-A261 VanDerWaalsContact O-CB 3.29Å; R257-A261 WeakPolarHBondContact O-CB 3.41Å; R257-A261 PolarHBondContact O-N 2.84Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3.13Å
262	K	68.8	Low	53.3	Low	104 Å²	104	75.1 Å²	75.1	45%	0.452	47%	0.469	S	S	.	.	H	α-helix	trans	-77.5	-21.7	172.7	-73.2	-157.1	-177.6	179	0	114	A259 L260 Y299	A259-K262 WeakPolarHBondContact O-CB 3.48Å; A259-K262 PolarHBondContact O-N 3.05Å; A259-K262 VanDerWaalsContact O-N 3.14Å; L260-K262 PolarHBondContact O-N 3.05Å; K262-Y299 HydrophobicContact CD-CD1 3.78Å; K262-Y299 HydrophobicContact CD-CE1 3.42Å; K262-Y299 VanDerWaalsContact CD-CE1 3.42Å; K262-Y299 HydrophobicContact CG-CE1 4.27Å; K262-Y299 PolarHBondContact NZ-OH 3.38Å
263	L	63.9	Low	52.9	Low	16 Å²	16	77.8 Å²	77.8	8%	0.084	49%	0.489	C	S	.	.	H	α-helix	trans	-88.6	-22.6	177.5	-59.8	173.1	0	0	0	111.6	E159 L260 F300 V342	E159-L263 HydrophobicContact CB-CD2 4.43Å; L260-L263 HydrophobicContact CD2-CD1 4.39Å; L260-L263 WeakPolarHBondContact O-CB 3.31Å; L260-L263 PolarHBondContact O-N 3.42Å; L263-F300 HydrophobicContact CD1-CB 3.79Å; L263-F300 HydrophobicContact CD1-CD1 4.4Å; L263-F300 HydrophobicContact CD1-CG 4.36Å; L263-V342 HydrophobicContact CD1-CG1 3.77Å
264	A	58.9	Low	52.2	Low	52 Å²	52	87.5 Å²	87.5	43%	0.43	51%	0.513	S	S	.	.	S	Bend	trans	-69.1	129.8	172.9	0	0	0	0	0	110.6	L260 D266	L260-A264 PolarHBondContact O-N 3.04Å; L260-A264 VanDerWaalsContact O-N 3.13Å; A264-D266 PolarHBondContact O-N 3.27Å
265	V	48.3	Very low	51.5	Low	124 Å²	124	89.7 Å²	89.7	75%	0.752	52%	0.523	S	S	*	.	S	Bend	trans	-65.6	-18.6	-178.7	-178.5	0	0	0	0	112.2	S267	V265-S267 PolarHBondContact O-N 2.89Å
266	D	41.4	Very low	50.9	Low	136 Å²	136	93.2 Å²	93.2	73%	0.727	54%	0.542	S	S	*	.	S	Bend	trans	-78.7	109.5	178.3	-68.6	-32.6	0	0	0	111.6	A264 V268	A264-D266 PolarHBondContact O-N 3.27Å; D266-V268 PolarHBondContact O-N 2.9Å
267	S	34.1	Very low	50.2	Low	115 Å²	115	96.6 Å²	96.6	80%	0.804	57%	0.567	S	S	*	*			trans	-61.2	106.4	172.3	57.3	0	0	0	0	110.5	V265	V265-S267 PolarHBondContact O-N 2.89Å
268	V	33.4	Very low	49.6	Very low	116 Å²	116	93.8 Å²	93.8	70%	0.703	56%	0.562	S	S	*	*			trans	-67.2	127.6	166.3	-175.8	0	0	0	0	107.9	D266 A270	D266-V268 PolarHBondContact O-N 2.9Å; V268-A270 PolarHBondContact O-N 2.99Å
269	P	30	Very low	49.4	Very low	114 Å²	114	91.5 Å²	91.5	74%	0.74	54%	0.541	S	S	*	.			trans	-58.9	130.3	177.9	-19.1	29.5	0	0	0	110.2	G271	P269-G271 VanDerWaalsContact C-N 3.27Å; P269-G271 PolarHBondContact O-N 3.19Å
270	A	29.5	Very low	49	Very low	99 Å²	99	99.1 Å²	99.1	82%	0.818	57%	0.569	S	S	*	*			trans	-67.6	88.7	171.1	0	0	0	0	0	109.1	V268 T272	V268-A270 PolarHBondContact O-N 2.99Å; A270-T272 PolarHBondContact O-N 2.84Å; A270-T272 VanDerWaalsContact O-N 3.16Å
271	G	32	Very low	48.6	Very low	62 Å²	62	105.6 Å²	105.6	64%	0.639	60%	0.596	S	S	*	*			trans	-60.4	115.9	170.2	0	0	0	0	0	109.4	P269 T273	P269-G271 VanDerWaalsContact C-N 3.27Å; P269-G271 PolarHBondContact O-N 3.19Å; G271-T273 VanDerWaalsContact C-N 3.27Å; G271-T273 PolarHBondContact O-N 2.89Å
272	T	32.1	Very low	49	Very low	143 Å²	143	104.6 Å²	104.6	88%	0.877	59%	0.585	S	S	*	*			trans	-70.5	83.6	171.9	49.1	0	0	0	0	109.3	A270 R274	A270-T272 PolarHBondContact O-N 2.84Å; A270-T272 VanDerWaalsContact O-N 3.16Å; T272-R274 PolarHBondContact O-N 3.33Å
273	T	41.3	Very low	49.3	Very low	112 Å²	112	106.6 Å²	106.6	69%	0.687	59%	0.594	S	S	*	*			trans	-80.1	112.4	168.5	25.5	0	0	0	0	108.9	G271 E275	G271-T273 VanDerWaalsContact C-N 3.27Å; G271-T273 PolarHBondContact O-N 2.89Å; T273-E275 PolarHBondContact O-N 2.9Å
274	R	42.7	Very low	49.8	Very low	244 Å²	244	109.3 Å²	109.3	92%	0.921	61%	0.611	S	S	*	*			trans	-54.1	111.1	168.7	-121	175	167.3	177.3	-4.3	108.1	T272	T272-R274 PolarHBondContact O-N 3.33Å
275	E	48	Very low	50.5	Low	81 Å²	81	112.4 Å²	112.4	38%	0.379	63%	0.625	S	S	.	*			trans	-61	134.3	-179.4	-73.4	174	155.4	0	0	111.7	T273 S277 R280	T273-E275 PolarHBondContact O-N 2.9Å; E275-S277 PolarHBondContact O-N 3.01Å; E275-R280 IonicContact OE2-CZ 3.74Å; E275-R280 VanDerWaalsContact OE2-CZ 3.29Å; E275-R280 IonicContact OE2-NE 2.8Å; E275-R280 PolarHBondContact OE2-NE 3.06Å; E275-R280 IonicContact OE2-NH2 2.82Å; E275-R280 PolarHBondContact OE2-NH2 3.4Å
276	N	53.7	Low	51.9	Low	93 Å²	93	111.5 Å²	111.5	50%	0.497	62%	0.616	S	S	.	*			trans	-64.5	132.1	174.2	-86.3	-21.3	0	0	0	111.2	E278 I279	N276-E278 PolarHBondContact O-N 3.22Å; N276-E278 VanDerWaalsContact O-N 3.08Å; N276-I279 HydrophobicContact CB-CD1 4.21Å; N276-I279 HydrophobicContact CB-CG1 4.42Å; N276-I279 PolarHBondContact O-N 3.04Å; N276-I279 VanDerWaalsContact O-N 3.11Å
277	S	51.7	Low	53.6	Low	85 Å²	85	105.4 Å²	105.4	59%	0.594	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-20.3	-174.4	56.7	0	0	0	0	114.9	E275	E275-S277 PolarHBondContact O-N 3.01Å
278	E	56.9	Low	55.8	Low	127 Å²	127	101.1 Å²	101.1	59%	0.593	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-30.1	177.3	-63.2	-172.7	157	0	0	113.5	N276 R280 K281	N276-E278 PolarHBondContact O-N 3.22Å; N276-E278 VanDerWaalsContact O-N 3.08Å; E278-R280 VanDerWaalsContact C-N 3.34Å; E278-K281 PolarHBondContact O-N 3.02Å
279	I	61.1	Low	58	Low	13 Å²	13	101.4 Å²	101.4	7%	0.067	55%	0.546	C	S	.	.	G	3₁₀ helix	trans	-75.6	-28.8	-177.4	-59.8	175.9	0	0	0	110.8	R228 Q232 N276 K281	R228-I279 HydrophobicContact CB-CG2 4.01Å; R228-I279 HydrophobicContact CG-CG2 4.28Å; R228-I279 PolarHBondContact NH1-O 2.93Å; Q232-I279 HydrophobicContact CB-CD1 3.51Å; Q232-I279 HydrophobicContact CG-CD1 3.52Å; N276-I279 HydrophobicContact CB-CD1 4.21Å; N276-I279 HydrophobicContact CB-CG1 4.42Å; N276-I279 PolarHBondContact O-N 3.04Å; N276-I279 VanDerWaalsContact O-N 3.11Å; I279-K281 VanDerWaalsContact C-N 3.26Å; I279-K281 PolarHBondContact O-N 2.92Å
280	R	62	Low	60.3	Low	162 Å²	162	96 Å²	96	61%	0.611	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-68.1	-23.8	172.5	-69.5	-176.2	178	176.1	-0.5	113.3	E275 E278	E275-R280 IonicContact OE2-CZ 3.74Å; E275-R280 VanDerWaalsContact OE2-CZ 3.29Å; E275-R280 IonicContact OE2-NE 2.8Å; E275-R280 PolarHBondContact OE2-NE 3.06Å; E275-R280 IonicContact OE2-NH2 2.82Å; E275-R280 PolarHBondContact OE2-NH2 3.4Å; E278-R280 VanDerWaalsContact C-N 3.34Å
281	K	63.6	Low	62.7	Low	173 Å²	173	95 Å²	95	75%	0.752	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-86.6	-9.4	-177.3	-67.3	178.7	-178.9	-178.9	0	113.6	E278 I279	E278-K281 PolarHBondContact O-N 3.02Å; I279-K281 VanDerWaalsContact C-N 3.26Å; I279-K281 PolarHBondContact O-N 2.92Å
282	V	75.2	Confident	65.1	Low	26 Å²	26	92.6 Å²	92.6	16%	0.158	46%	0.462	C	S	.	.	S	Bend	trans	-72.7	130.4	177.3	-176.3	0	0	0	0	109.6	R228 L231 D286 L287	R228-V282 PolarHBondContact NH1-O 2.97Å; R228-V282 PolarHBondContact NH2-O 3.09Å; L231-V282 HydrophobicContact CD2-CB 4.36Å; L231-V282 HydrophobicContact CD2-CG1 4.16Å; L231-V282 HydrophobicContact CD2-CG2 3.96Å; V282-D286 HydrophobicContact CG1-CB 3.93Å; V282-L287 HydrophobicContact CB-CD2 4.26Å; V282-L287 HydrophobicContact CG1-CD2 3.88Å; V282-L287 HydrophobicContact CG1-CG 4.48Å
283	K	76.2	Confident	67.7	Low	145 Å²	145	85.9 Å²	85.9	63%	0.63	42%	0.42	S	S	*	.			trans	-66.3	145.4	176	-63.8	177.8	178.2	175.9	0	109.5	T285 D286	K283-T285 PolarHBondContact O-N 2.78Å; K283-T285 VanDerWaalsContact O-N 3.15Å; K283-D286 PolarHBondContact O-N 3.22Å
284	T	73	Confident	70.1	Confident	73 Å²	73	80.5 Å²	80.5	45%	0.448	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-55.9	-31.5	178.6	-66	0	0	0	0	113.3	D224 D286 L287	D224-T284 WeakPolarHBondContact OD1-CB 3.33Å; D224-T284 WeakPolarHBondContact OD1-CG2 3.49Å; D224-T284 PolarHBondContact OD1-OG1 2.95Å; T284-D286 PolarHBondContact O-N 2.66Å; T284-L287 PolarHBondContact O-N 3.06Å
285	T	74.4	Confident	72.5	Confident	118 Å²	118	68.9 Å²	68.9	72%	0.724	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.6	176	50.8	0	0	0	0	113.8	K283	K283-T285 PolarHBondContact O-N 2.78Å; K283-T285 VanDerWaalsContact O-N 3.15Å
286	D	76.8	Confident	74.3	Confident	104 Å²	104	67.8 Å²	67.8	56%	0.556	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-102.3	4.5	-172.9	-47.5	-18.1	0	0	0	110.8	V282 K283 T284	V282-D286 HydrophobicContact CG1-CB 3.93Å; K283-D286 PolarHBondContact O-N 3.22Å; T284-D286 PolarHBondContact O-N 2.66Å
287	L	78.7	Confident	75.9	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.042	32%	0.316	C	S	.	.	S	Bend	trans	-80.4	143.3	176	-67.3	178.1	0	0	0	110.5	R227 R228 L231 V282 T284 E289	R227-L287 HydrophobicContact CB-CB 3.89Å; R227-L287 HydrophobicContact CB-CD1 4.05Å; R227-L287 HydrophobicContact CB-CG 4.49Å; R228-L287 HydrophobicContact CG-CD1 3.83Å; R228-L287 HydrophobicContact CG-CD2 3.67Å; R228-L287 HydrophobicContact CG-CG 4.44Å; L231-L287 HydrophobicContact CD2-CD2 3.96Å; V282-L287 HydrophobicContact CB-CD2 4.26Å; V282-L287 HydrophobicContact CG1-CD2 3.88Å; V282-L287 HydrophobicContact CG1-CG 4.48Å; T284-L287 PolarHBondContact O-N 3.06Å; L287-E289 PolarHBondContact O-N 3.33Å
288	P	79.5	Confident	77.5	Confident	26 Å²	26	59.9 Å²	59.9	17%	0.169	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-60.7	138.3	178.9	26.3	-34.2	0	0	0	110.9	R227 K230 L231	R227-P288 WeakPolarHBondContact CD-O 3.23Å; R227-P288 VanDerWaalsContact CG-O 3.25Å; R227-P288 WeakPolarHBondContact CG-O 3.38Å; K230-P288 HydrophobicContact CB-CG 4.2Å; K230-P288 HydrophobicContact CD-CB 4.24Å; K230-P288 HydrophobicContact CD-CG 4.15Å; K230-P288 HydrophobicContact CG-CG 4.06Å; L231-P288 HydrophobicContact CB-CG 4.17Å
289	E	79.8	Confident	78.9	Confident	121 Å²	121	57 Å²	57	57%	0.565	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-68.1	151.6	175.7	-61.9	-166.8	154.2	0	0	111.3	K230 L287	K230-E289 PolarHBondContact NZ-O 3.1Å; L287-E289 PolarHBondContact O-N 3.33Å
290	L	78.9	Confident	80.4	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-94.2	133.7	173.5	-58.4	178.3	0	0	0	108.6	V218 V220 D223 I226 R227 K230 L298	V218-L290 HydrophobicContact CB-CB 4.05Å; V218-L290 PolarHBondContact N-O 3.13Å; V220-L290 HydrophobicContact CG2-CD1 3.91Å; D223-L290 WeakPolarHBondContact OD1-CD1 3.25Å; I226-L290 HydrophobicContact CB-CD1 4.17Å; I226-L290 HydrophobicContact CG2-CD1 3.95Å; I226-L290 HydrophobicContact CG2-CD2 3.97Å; R227-L290 HydrophobicContact CG-CD1 3.93Å; R227-L290 HydrophobicContact CG-CD2 3.86Å; R227-L290 HydrophobicContact CG-CG 3.64Å; K230-L290 HydrophobicContact CD-CD2 3.95Å; L290-L298 HydrophobicContact CB-CD2 4.47Å; L290-L298 HydrophobicContact CD1-CD1 4.11Å
291	E	79.7	Confident	82	Confident	77 Å²	77	49.1 Å²	49.1	36%	0.36	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-95.7	157.3	177.8	-66.5	-177.2	-166.8	0	0	110.6	V218 V293 L298 R334	V218-E291 WeakPolarHBondContact CG2-O 3.39Å; E291-V293 PolarHBondContact O-N 2.97Å; E291-L298 WeakPolarHBondContact O-CD2 3.32Å; E291-R334 IonicContact OE2-CZ 3.65Å; E291-R334 VanDerWaalsContact OE2-CZ 3.3Å; E291-R334 IonicContact OE2-NH1 3.6Å; E291-R334 PolarHBondContact OE2-NH1 3.25Å; E291-R334 IonicContact OE2-NH2 3.37Å; E291-R334 PolarHBondContact OE2-NH2 3.37Å
292	H	82.9	Confident	83.6	Confident	12 Å²	12	40.9 Å²	40.9	6%	0.056	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-63.8	120.4	169.5	-86.7	-90.6	0	0	0	109.1	L214 E216 V218 F294 A295 G297 R338	L214-H292 HydrophobicContact CD2-CB 4.15Å; E216-H292 PolarHBondContact O-CD2 3.26Å; V218-H292 HydrophobicContact CG2-CB 4.14Å; V218-H292 WeakPolarHBondContact CG2-CD2 3.45Å; V218-H292 VanDerWaalsContact CG2-N 3.3Å; H292-F294 PolarHBondContact ND1-O 3.3Å; H292-A295 PolarHBondContact CE1-O 3.4Å; H292-A295 VanDerWaalsContact CE1-O 3.22Å; H292-A295 PolarHBondContact ND1-O 3.49Å; H292-G297 PolarHBondContact ND1-N 2.72Å; H292-R338 PolarHBondContact O-NH1 3.17Å
293	V	85.6	Confident	84.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.201	C	C	.	.	S	Bend	trans	-85.3	-43.9	163.4	-177.4	0	0	0	0	108.8	E255 L256 A259 E291 G297 L298 R338	E255-V293 HydrophobicContact CB-CG2 3.52Å; L256-V293 HydrophobicContact CB-CG1 4.23Å; L256-V293 HydrophobicContact CD1-CG1 3.59Å; A259-V293 HydrophobicContact CB-CG1 4.43Å; E291-V293 PolarHBondContact O-N 2.97Å; V293-G297 PolarHBondContact N-O 2.94Å; V293-L298 HydrophobicContact CG2-CD2 3.81Å; V293-R338 VanDerWaalsContact O-CD 3.25Å; V293-R338 WeakPolarHBondContact O-CD 3.28Å
294	F	92.4	Very high	85.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-128.9	174.5	-177.7	-67.2	-65.1	0	0	0	110.4	L256 A259 H292 E296 G297 L298 Y299 F300 D304 R338 V339 V342	L256-F294 HydrophobicContact CD1-CE2 4.44Å; L256-F294 HydrophobicContact CD1-CZ 4.09Å; A259-F294 HydrophobicContact CB-CD2 4.5Å; A259-F294 HydrophobicContact CB-CE2 3.93Å; H292-F294 PolarHBondContact ND1-O 3.3Å; F294-E296 PolarHBondContact O-N 3.48Å; F294-G297 CarbonylContact C-O 3.59Å; F294-G297 PolarHBondContact N-O 3.31Å; F294-G297 PolarHBondContact O-N 2.8Å; F294-G297 VanDerWaalsContact O-N 3.16Å; F294-L298 WeakPolarHBondContact CD2-O 3.34Å; F294-Y299 WeakPolarHBondContact CB-O 3.37Å; F294-F300 HydrophobicContact CD1-CB 4.33Å; F294-F300 AromaticContact CD1-CD2 3.76Å; F294-F300 HydrophobicContact CD1-CD2 3.76Å; F294-F300 HydrophobicContact CD2-CB 4.06Å; F294-F300 HydrophobicContact CE1-CB 4.27Å; F294-F300 AromaticContact CE1-CD2 3.73Å; F294-F300 HydrophobicContact CE1-CD2 3.73Å; F294-F300 HydrophobicContact CE1-CG 4.46Å; F294-F300 HydrophobicContact CE2-CB 3.98Å; F294-F300 HydrophobicContact CG-CB 4.23Å; F294-F300 HydrophobicContact CG-CD2 4.39Å; F294-F300 HydrophobicContact CZ-CB 4.1Å; F294-F300 HydrophobicContact CZ-CD2 4.33Å; F294-D304 WeakPolarHBondContact CB-OD1 3.33Å; F294-R338 HydrophobicContact CE1-CB 4.4Å; F294-V339 HydrophobicContact CD1-CG2 3.94Å; F294-V339 HydrophobicContact CE1-CG2 4.04Å; F294-V342 HydrophobicContact CE1-CG2 3.54Å; F294-V342 HydrophobicContact CZ-CG2 3.48Å; F294-V342 VanDerWaalsContact CZ-CG2 3.48Å
295	A	91.6	Very high	86.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-40	-166.4	0	0	0	0	0	114.1	W177 H292 T303 D304 L307	W177-A295 HydrophobicContact CH2-CB 4.45Å; W177-A295 HydrophobicContact CZ2-CB 4.17Å; H292-A295 PolarHBondContact CE1-O 3.4Å; H292-A295 VanDerWaalsContact CE1-O 3.22Å; H292-A295 PolarHBondContact ND1-O 3.49Å; A295-T303 HydrophobicContact CB-CG2 3.75Å; A295-D304 VanDerWaalsContact CB-OD1 3.3Å; A295-D304 WeakPolarHBondContact CB-OD1 3.41Å; A295-D304 PolarHBondContact N-OD1 3.08Å; A295-L307 HydrophobicContact CB-CD1 3.66Å
296	E	87.3	Confident	87.8	Confident	57 Å²	57	23.7 Å²	23.7	27%	0.266	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.1	178.7	-70.3	-167.8	144.1	0	0	114	C167 W177 F294 T301 T303	C167-E296 PolarHBondContact SG-OE2 2.88Å; W177-E296 HydrophobicContact CZ2-CG 4.01Å; W177-E296 PolarHBondContact NE1-OE1 2.7Å; F294-E296 PolarHBondContact O-N 3.48Å; E296-T301 PolarHBondContact OE2-OG1 2.89Å; E296-T301 VanDerWaalsContact OE2-OG1 3.07Å; E296-T303 HydrophobicContact CG-CG2 4.27Å; E296-T303 WeakPolarHBondContact CG-OG1 3.49Å; E296-T303 PolarHBondContact OE1-OG1 3.35Å
297	G	87	Confident	88.8	Confident	2 Å²	2	18.8 Å²	18.8	2%	0.021	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	155.8	-125.1	178.3	0	0	0	0	0	113	H292 V293 F294	H292-G297 PolarHBondContact ND1-N 2.72Å; V293-G297 PolarHBondContact N-O 2.94Å; F294-G297 CarbonylContact C-O 3.59Å; F294-G297 PolarHBondContact N-O 3.31Å; F294-G297 PolarHBondContact O-N 2.8Å; F294-G297 VanDerWaalsContact O-N 3.16Å
298	L	84.1	Confident	89.6	Confident	10 Å²	10	18.4 Å²	18.4	5%	0.052	9%	0.087	C	C	.	.	S	Bend	trans	-84.4	-22.7	-177	-63.6	-177.9	0	0	0	114.1	V218 V220 I226 E255 A259 L290 E291 V293 F294	V218-L298 HydrophobicContact CG1-CG 4.34Å; V220-L298 HydrophobicContact CG1-CD1 4.44Å; V220-L298 HydrophobicContact CG1-CG 4.31Å; V220-L298 HydrophobicContact CG2-CD1 4.16Å; I226-L298 HydrophobicContact CD1-CD1 4.31Å; I226-L298 HydrophobicContact CG2-CD1 4.14Å; E255-L298 HydrophobicContact CB-CD2 4.36Å; E255-L298 HydrophobicContact CG-CD2 4.48Å; A259-L298 WeakPolarHBondContact CB-O 3.36Å; L290-L298 HydrophobicContact CB-CD2 4.47Å; L290-L298 HydrophobicContact CD1-CD1 4.11Å; E291-L298 WeakPolarHBondContact O-CD2 3.32Å; V293-L298 HydrophobicContact CG2-CD2 3.81Å; F294-L298 WeakPolarHBondContact CD2-O 3.34Å
299	Y	87.9	Confident	90.4	Very high	66 Å²	66	17.1 Å²	17.1	26%	0.259	8%	0.079	S	C	.	.	S	Bend	trans	-110.8	144.4	-169.1	-53.4	-65.9	0	0	0	110.5	V220 K262 F294 T301	V220-Y299 HydrophobicContact CG1-CE2 4.37Å; K262-Y299 HydrophobicContact CD-CD1 3.78Å; K262-Y299 HydrophobicContact CD-CE1 3.42Å; K262-Y299 VanDerWaalsContact CD-CE1 3.42Å; K262-Y299 HydrophobicContact CG-CE1 4.27Å; K262-Y299 PolarHBondContact NZ-OH 3.38Å; F294-Y299 WeakPolarHBondContact CB-O 3.37Å; Y299-T301 PolarHBondContact O-N 3.21Å
300	F	92.3	Very high	91.2	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.013	5%	0.052	C	C	.	.			trans	-69.5	120.6	173.1	-174.1	-107.1	0	0	0	108.9	Y68 L160 L263 F294 D304 V305 V339 V342 V345	Y68-F300 HydrophobicContact CE1-CE1 4.45Å; Y68-F300 HydrophobicContact CE2-CE1 4.21Å; Y68-F300 AromaticContact CZ-CE1 3.88Å; L160-F300 HydrophobicContact CD2-CD1 3.58Å; L160-F300 HydrophobicContact CD2-CE1 3.64Å; L263-F300 HydrophobicContact CD1-CB 3.79Å; L263-F300 HydrophobicContact CD1-CD1 4.4Å; L263-F300 HydrophobicContact CD1-CG 4.36Å; F294-F300 HydrophobicContact CD1-CB 4.33Å; F294-F300 AromaticContact CD1-CD2 3.76Å; F294-F300 HydrophobicContact CD1-CD2 3.76Å; F294-F300 HydrophobicContact CD2-CB 4.06Å; F294-F300 HydrophobicContact CE1-CB 4.27Å; F294-F300 AromaticContact CE1-CD2 3.73Å; F294-F300 HydrophobicContact CE1-CD2 3.73Å; F294-F300 HydrophobicContact CE1-CG 4.46Å; F294-F300 HydrophobicContact CE2-CB 3.98Å; F294-F300 HydrophobicContact CG-CB 4.23Å; F294-F300 HydrophobicContact CG-CD2 4.39Å; F294-F300 HydrophobicContact CZ-CB 4.1Å; F294-F300 HydrophobicContact CZ-CD2 4.33Å; F300-D304 HydrophobicContact CD2-CB 3.48Å; F300-D304 VanDerWaalsContact CD2-CB 3.48Å; F300-D304 HydrophobicContact CE2-CB 3.29Å; F300-D304 HydrophobicContact CG-CB 4.41Å; F300-D304 HydrophobicContact CZ-CB 4.1Å; F300-V305 HydrophobicContact CE1-CG2 3.8Å; F300-V305 HydrophobicContact CZ-CG2 3.75Å; F300-V339 HydrophobicContact CE2-CG1 4.02Å; F300-V339 HydrophobicContact CE2-CG2 4.32Å; F300-V342 HydrophobicContact CD1-CG1 3.95Å; F300-V342 HydrophobicContact CD2-CG1 4.32Å; F300-V342 HydrophobicContact CD2-CG2 3.81Å; F300-V342 HydrophobicContact CE1-CG1 4.03Å; F300-V342 HydrophobicContact CE2-CG1 4.38Å; F300-V342 HydrophobicContact CE2-CG2 4.14Å; F300-V342 HydrophobicContact CG-CG1 4.1Å; F300-V342 HydrophobicContact CG-CG2 4.16Å; F300-V342 HydrophobicContact CZ-CG1 4.24Å; F300-V345 HydrophobicContact CE2-CG2 4.36Å; F300-V345 HydrophobicContact CZ-CG2 3.84Å
301	T	95.1	Very high	92	Very high	8 Å²	8	11.3 Å²	11.3	5%	0.049	5%	0.052	C	C	.	.			trans	-124.6	177.1	-179.2	70.7	0	0	0	0	111.6	C167 E296 Y299 T303 D304 V305	C167-T301 PolarHBondContact SG-OG1 3.12Å; C167-T301 VanDerWaalsContact SG-OG1 3.41Å; E296-T301 PolarHBondContact OE2-OG1 2.89Å; E296-T301 VanDerWaalsContact OE2-OG1 3.07Å; Y299-T301 PolarHBondContact O-N 3.21Å; T301-T303 PolarHBondContact O-N 2.68Å; T301-T303 VanDerWaalsContact O-N 3.1Å; T301-T303 PolarHBondContact OG1-N 2.84Å; T301-D304 PolarHBondContact N-OD2 3.17Å; T301-D304 WeakPolarHBondContact O-CB 3.37Å; T301-D304 PolarHBondContact O-N 3.49Å; T301-V305 PolarHBondContact O-N 3.14Å
302	L	96.6	Very high	92.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-55	-27.6	174.3	176.1	62.2	0	0	0	112.1	L65 L140 R141 I144 L160 L168 D304 V305 V306	L65-L302 HydrophobicContact CD1-CD1 4.42Å; L65-L302 HydrophobicContact CD2-CD1 4.06Å; L140-L302 HydrophobicContact CB-CD1 3.84Å; L140-L302 HydrophobicContact CB-CD2 4.03Å; L140-L302 HydrophobicContact CB-CG 4.49Å; L140-L302 HydrophobicContact CD1-CD1 4.07Å; L140-L302 HydrophobicContact CG-CD1 4.48Å; R141-L302 HydrophobicContact CG-CD2 3.63Å; I144-L302 HydrophobicContact CD1-CB 4.3Å; I144-L302 HydrophobicContact CD1-CD1 3.84Å; I144-L302 HydrophobicContact CD1-CD2 4.12Å; I144-L302 HydrophobicContact CD1-CG 4.3Å; L160-L302 HydrophobicContact CB-CB 4.4Å; L160-L302 VanDerWaalsContact O-CB 3.28Å; L160-L302 WeakPolarHBondContact O-CB 3.13Å; L160-L302 PolarHBondContact O-N 2.86Å; L168-L302 HydrophobicContact CD1-CD2 4.37Å; L168-L302 HydrophobicContact CD1-CG 4.2Å; L302-D304 VanDerWaalsContact C-N 3.32Å; L302-D304 PolarHBondContact O-N 3.41Å; L302-V305 HydrophobicContact CD1-CB 4.34Å; L302-V305 WeakPolarHBondContact O-CB 3.45Å; L302-V305 PolarHBondContact O-N 2.97Å; L302-V306 HydrophobicContact CD1-CG2 4.45Å; L302-V306 HydrophobicContact CG-CG2 4.45Å; L302-V306 WeakPolarHBondContact O-CG2 3.28Å; L302-V306 PolarHBondContact O-N 3.46Å
303	T	97	Very high	93.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.7	-41.9	174.3	-59.3	0	0	0	0	112.1	C167 W177 C181 A295 E296 T301 V305 V306 L307	C167-T303 PolarHBondContact SG-OG1 3.01Å; C167-T303 VanDerWaalsContact SG-OG1 3.33Å; W177-T303 HydrophobicContact CZ2-CG2 3.64Å; C181-T303 VanDerWaalsContact SG-CG2 3.6Å; A295-T303 HydrophobicContact CB-CG2 3.75Å; E296-T303 HydrophobicContact CG-CG2 4.27Å; E296-T303 WeakPolarHBondContact CG-OG1 3.49Å; E296-T303 PolarHBondContact OE1-OG1 3.35Å; T301-T303 PolarHBondContact O-N 2.68Å; T301-T303 VanDerWaalsContact O-N 3.1Å; T301-T303 PolarHBondContact OG1-N 2.84Å; T303-V305 VanDerWaalsContact C-N 3.31Å; T303-V305 PolarHBondContact O-N 3.39Å; T303-V306 WeakPolarHBondContact O-CB 3.43Å; T303-V306 PolarHBondContact O-N 3.26Å; T303-L307 HydrophobicContact CG2-CD1 3.85Å; T303-L307 HydrophobicContact CG2-CG 4.17Å; T303-L307 VanDerWaalsContact O-CG 3.27Å; T303-L307 WeakPolarHBondContact O-CG 3.45Å; T303-L307 PolarHBondContact O-N 3.06Å
304	D	96.9	Very high	93.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.1	-38.8	179.1	-59	-76.7	0	0	0	111.7	F294 A295 F300 T301 L302 V306 L307 L308 W335 V339	F294-D304 WeakPolarHBondContact CB-OD1 3.33Å; A295-D304 VanDerWaalsContact CB-OD1 3.3Å; A295-D304 WeakPolarHBondContact CB-OD1 3.41Å; A295-D304 PolarHBondContact N-OD1 3.08Å; F300-D304 HydrophobicContact CD2-CB 3.48Å; F300-D304 VanDerWaalsContact CD2-CB 3.48Å; F300-D304 HydrophobicContact CE2-CB 3.29Å; F300-D304 HydrophobicContact CG-CB 4.41Å; F300-D304 HydrophobicContact CZ-CB 4.1Å; T301-D304 PolarHBondContact N-OD2 3.17Å; T301-D304 WeakPolarHBondContact O-CB 3.37Å; T301-D304 PolarHBondContact O-N 3.49Å; L302-D304 VanDerWaalsContact C-N 3.32Å; L302-D304 PolarHBondContact O-N 3.41Å; D304-V306 VanDerWaalsContact C-N 3.33Å; D304-V306 PolarHBondContact O-N 3.45Å; D304-L307 PolarHBondContact O-N 3.4Å; D304-L308 WeakPolarHBondContact O-CB 3.46Å; D304-L308 PolarHBondContact O-N 3.14Å; D304-W335 HydrophobicContact CB-CZ2 4.36Å; D304-W335 PolarHBondContact OD1-NE1 3.21Å; D304-V339 HydrophobicContact CB-CG2 4.43Å
305	V	96.3	Very high	93.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.2	-41	173.9	-179.1	0	0	0	0	111.4	F64 L65 L160 F300 T301 L302 T303 P309	F64-V305 HydrophobicContact CD1-CG1 3.67Å; F64-V305 HydrophobicContact CE1-CG1 3.89Å; L65-V305 HydrophobicContact CB-CG1 3.93Å; L65-V305 HydrophobicContact CD1-CG1 3.95Å; L65-V305 HydrophobicContact CG-CG1 4.48Å; L160-V305 HydrophobicContact CD1-CG2 4.48Å; L160-V305 HydrophobicContact CD2-CG2 4.11Å; F300-V305 HydrophobicContact CE1-CG2 3.8Å; F300-V305 HydrophobicContact CZ-CG2 3.75Å; T301-V305 PolarHBondContact O-N 3.14Å; L302-V305 HydrophobicContact CD1-CB 4.34Å; L302-V305 WeakPolarHBondContact O-CB 3.45Å; L302-V305 PolarHBondContact O-N 2.97Å; T303-V305 VanDerWaalsContact C-N 3.31Å; T303-V305 PolarHBondContact O-N 3.39Å; V305-P309 WeakPolarHBondContact O-CD 3.41Å
306	V	97.1	Very high	93.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-66	-42.8	176.3	168.6	0	0	0	0	111.7	I61 L136 L140 L168 C181 L302 T303 D304	I61-V306 HydrophobicContact CD1-CG1 4.28Å; I61-V306 WeakPolarHBondContact CD1-O 3.44Å; I61-V306 WeakPolarHBondContact CG1-O 3.32Å; I61-V306 HydrophobicContact CG2-CB 4.4Å; I61-V306 HydrophobicContact CG2-CG2 4.09Å; L136-V306 HydrophobicContact CD2-CG1 4.2Å; L140-V306 HydrophobicContact CD1-CG2 3.38Å; L168-V306 HydrophobicContact CD1-CG2 3.86Å; C181-V306 HydrophobicContact CB-CG1 4.25Å; C181-V306 WeakPolarHBondContact O-CG1 3.41Å; L302-V306 HydrophobicContact CD1-CG2 4.45Å; L302-V306 HydrophobicContact CG-CG2 4.45Å; L302-V306 WeakPolarHBondContact O-CG2 3.28Å; L302-V306 PolarHBondContact O-N 3.46Å; T303-V306 WeakPolarHBondContact O-CB 3.43Å; T303-V306 PolarHBondContact O-N 3.26Å; D304-V306 VanDerWaalsContact C-N 3.33Å; D304-V306 PolarHBondContact O-N 3.45Å
307	L	97.4	Very high	93.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-76	-34	-175	-67.1	179.4	0	0	0	112.5	C181 I185 L210 A295 T303 D304 C310 I311 W335	C181-L307 HydrophobicContact CB-CD2 4.47Å; I185-L307 HydrophobicContact CB-CD2 4.44Å; I185-L307 HydrophobicContact CD1-CD2 3.42Å; I185-L307 VanDerWaalsContact CD1-CD2 3.42Å; I185-L307 HydrophobicContact CG2-CD2 4.22Å; L210-L307 HydrophobicContact CD1-CD1 3.91Å; L210-L307 HydrophobicContact CD2-CD1 4.15Å; L210-L307 HydrophobicContact CD2-CD2 4.47Å; A295-L307 HydrophobicContact CB-CD1 3.66Å; T303-L307 HydrophobicContact CG2-CD1 3.85Å; T303-L307 HydrophobicContact CG2-CG 4.17Å; T303-L307 VanDerWaalsContact O-CG 3.27Å; T303-L307 WeakPolarHBondContact O-CG 3.45Å; T303-L307 PolarHBondContact O-N 3.06Å; D304-L307 PolarHBondContact O-N 3.4Å; L307-C310 WeakPolarHBondContact O-CB 3.47Å; L307-C310 PolarHBondContact O-N 3.38Å; L307-C310 VanDerWaalsContact O-N 3.16Å; L307-I311 HydrophobicContact CB-CG1 4.37Å; L307-I311 WeakPolarHBondContact O-CG1 3.2Å; L307-I311 PolarHBondContact O-N 3.5Å; L307-W335 HydrophobicContact CB-CH2 3.58Å; L307-W335 HydrophobicContact CB-CZ2 3.7Å; L307-W335 HydrophobicContact CD1-CZ2 4.33Å
308	L	96.9	Very high	93.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56.5	-53	-169.5	174.4	66.7	0	0	0	113.9	F64 D304 C310 I311 H312 W335 Y336 V339 V345 L356	F64-L308 HydrophobicContact CE1-CD2 3.98Å; F64-L308 HydrophobicContact CE2-CD2 3.97Å; F64-L308 HydrophobicContact CZ-CD2 3.48Å; F64-L308 VanDerWaalsContact CZ-CD2 3.48Å; D304-L308 WeakPolarHBondContact O-CB 3.46Å; D304-L308 PolarHBondContact O-N 3.14Å; L308-C310 VanDerWaalsContact C-N 3.29Å; L308-C310 PolarHBondContact O-N 2.61Å; L308-I311 PolarHBondContact O-N 2.9Å; L308-H312 WeakPolarHBondContact O-CB 3.46Å; L308-H312 PolarHBondContact O-N 3.37Å; L308-W335 HydrophobicContact CB-CH2 4.37Å; L308-Y336 HydrophobicContact CD1-CD2 3.93Å; L308-Y336 HydrophobicContact CD1-CE2 3.78Å; L308-V339 HydrophobicContact CB-CG1 4.28Å; L308-V339 HydrophobicContact CD1-CG1 3.79Å; L308-V339 HydrophobicContact CD2-CG1 3.75Å; L308-V339 HydrophobicContact CG-CG1 4.15Å; L308-V345 HydrophobicContact CD2-CG1 3.54Å; L308-L356 HydrophobicContact CD1-CD2 4.4Å; L308-L356 HydrophobicContact CD2-CD1 4.37Å
309	P	95.5	Very high	94.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-39.2	178.6	-25	36.2	0	0	0	112.5	I61 F64 V305 H313 L354	I61-P309 HydrophobicContact CG1-CB 4.22Å; I61-P309 HydrophobicContact CG1-CG 4.04Å; F64-P309 HydrophobicContact CB-CG 4.1Å; F64-P309 HydrophobicContact CD1-CG 4.42Å; F64-P309 HydrophobicContact CG-CG 4.17Å; V305-P309 WeakPolarHBondContact O-CD 3.41Å; P309-H313 PolarHBondContact O-CD2 2.99Å; P309-H313 PolarHBondContact O-N 2.77Å; P309-L354 HydrophobicContact CB-CD1 4.38Å; P309-L354 HydrophobicContact CG-CD1 4.43Å
310	C	96.6	Very high	94.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-53.3	178.3	-57	0	0	0	0	111.3	L57 I185 V189 L307 L308 H313 Y314	L57-C310 HydrophobicContact CD1-CB 4.23Å; I185-C310 HydrophobicContact CG2-CB 3.91Å; V189-C310 WeakPolarHBondContact CG1-O 3.38Å; V189-C310 HydrophobicContact CG2-CB 4.4Å; L307-C310 WeakPolarHBondContact O-CB 3.47Å; L307-C310 PolarHBondContact O-N 3.38Å; L307-C310 VanDerWaalsContact O-N 3.16Å; L308-C310 VanDerWaalsContact C-N 3.29Å; L308-C310 PolarHBondContact O-N 2.61Å; C310-H313 PolarHBondContact O-N 3.45Å; C310-Y314 WeakPolarHBondContact O-CB 3.43Å; C310-Y314 PolarHBondContact O-N 2.86Å
311	I	96.1	Very high	94	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.2	-36.6	-176.3	-60.2	-52.8	0	0	0	110.9	I185 I207 L210 L307 L308 Y314 L315 L332 W335 Y336	I185-I311 HydrophobicContact CG2-CD1 4.17Å; I207-I311 HydrophobicContact CD1-CD1 3.69Å; L210-I311 HydrophobicContact CD2-CD1 3.88Å; L210-I311 HydrophobicContact CD2-CG1 4.27Å; L307-I311 HydrophobicContact CB-CG1 4.37Å; L307-I311 WeakPolarHBondContact O-CG1 3.2Å; L307-I311 PolarHBondContact O-N 3.5Å; L308-I311 PolarHBondContact O-N 2.9Å; I311-Y314 PolarHBondContact O-N 2.73Å; I311-L315 HydrophobicContact CG2-CD1 3.68Å; I311-L315 HydrophobicContact CG2-CG 3.93Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 VanDerWaalsContact O-CG 3.24Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 2.95Å; I311-L332 HydrophobicContact CD1-CD1 4.06Å; I311-L332 HydrophobicContact CD1-CD2 4.26Å; I311-L332 HydrophobicContact CG1-CD1 4.08Å; I311-L332 HydrophobicContact CG2-CD1 3.87Å; I311-L332 HydrophobicContact CG2-CD2 4Å; I311-L332 HydrophobicContact CG2-CG 3.88Å; I311-W335 HydrophobicContact CB-CH2 4.29Å; I311-W335 HydrophobicContact CB-CZ3 3.7Å; I311-W335 HydrophobicContact CG1-CH2 4.14Å; I311-W335 HydrophobicContact CG1-CZ3 3.78Å; I311-W335 HydrophobicContact CG2-CE3 4.33Å; I311-W335 HydrophobicContact CG2-CZ3 3.72Å; I311-Y336 HydrophobicContact CG2-CD2 4.48Å
312	H	95.3	Very high	93.6	Very high	11 Å²	11	18.3 Å²	18.3	5%	0.051	11%	0.106	C	C	.	.	H	α-helix	trans	-55.6	-56	174.1	175.5	68.3	0	0	0	111.5	L308 Y314 L315 C316 Y336 V355 L356	L308-H312 WeakPolarHBondContact O-CB 3.46Å; L308-H312 PolarHBondContact O-N 3.37Å; H312-Y314 VanDerWaalsContact C-N 3.29Å; H312-Y314 PolarHBondContact O-N 2.99Å; H312-L315 PolarHBondContact O-N 3.27Å; H312-C316 PolarHBondContact CE1-SG 3.37Å; H312-C316 PolarHBondContact O-N 3.44Å; H312-C316 PolarHBondContact O-SG 3.4Å; H312-C316 VanDerWaalsContact O-SG 3.36Å; H312-Y336 HydrophobicContact CB-CE2 4.01Å; H312-Y336 AromaticContact ND1-CZ 3.81Å; H312-Y336 PolarHBondContact ND1-OH 2.91Å; H312-V355 PolarHBondContact CE1-O 2.68Å; H312-V355 VanDerWaalsContact CE1-O 3.3Å; H312-L356 HydrophobicContact CB-CD2 4.36Å; H312-L356 WeakPolarHBondContact ND1-CD2 3.1Å
313	H	92.6	Very high	93	Very high	57 Å²	57	20.7 Å²	20.7	26%	0.264	12%	0.121	S	C	.	.	H	α-helix	trans	-61.8	-38.2	179.8	-71.6	-58.9	0	0	0	112.4	L193 P309 C310 S317	L193-H313 HydrophobicContact CD1-CB 3.84Å; L193-H313 HydrophobicContact CD2-CB 4.46Å; P309-H313 PolarHBondContact O-CD2 2.99Å; P309-H313 PolarHBondContact O-N 2.77Å; C310-H313 PolarHBondContact O-N 3.45Å; H313-S317 WeakPolarHBondContact O-CB 3.31Å; H313-S317 PolarHBondContact O-N 3.36Å
314	Y	93.8	Very high	92.5	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-47.9	176	-175.5	-112.7	0	0	0	112.2	V189 H192 L203 P204 I207 C310 I311 H312 S317 L318 L329	V189-Y314 HydrophobicContact CG2-CD2 4.27Å; V189-Y314 HydrophobicContact CG2-CG 4.2Å; H192-Y314 HydrophobicContact CB-CD2 4.32Å; H192-Y314 HydrophobicContact CB-CE2 4.22Å; H192-Y314 AromaticContact CD2-CD2 3.67Å; H192-Y314 AromaticContact CD2-CE2 3.77Å; H192-Y314 AromaticContact CG-CD2 3.93Å; H192-Y314 AromaticContact CG-CE2 3.69Å; H192-Y314 AromaticContact ND1-CE2 3.92Å; L203-Y314 WeakPolarHBondContact CD2-OH 3.3Å; P204-Y314 WeakPolarHBondContact CD-OH 3.48Å; P204-Y314 HydrophobicContact CG-CE2 4.01Å; I207-Y314 HydrophobicContact CB-CE1 4.46Å; I207-Y314 HydrophobicContact CD1-CD1 4.3Å; I207-Y314 HydrophobicContact CD1-CE1 4.5Å; I207-Y314 HydrophobicContact CG1-CD1 4.37Å; I207-Y314 HydrophobicContact CG1-CE1 4.09Å; I207-Y314 HydrophobicContact CG2-CD1 4.41Å; I207-Y314 HydrophobicContact CG2-CE1 3.83Å; C310-Y314 WeakPolarHBondContact O-CB 3.43Å; C310-Y314 PolarHBondContact O-N 2.86Å; I311-Y314 PolarHBondContact O-N 2.73Å; H312-Y314 VanDerWaalsContact C-N 3.29Å; H312-Y314 PolarHBondContact O-N 2.99Å; Y314-S317 WeakPolarHBondContact O-CB 3.46Å; Y314-S317 PolarHBondContact O-N 3.16Å; Y314-L318 HydrophobicContact CD1-CD1 4.01Å; Y314-L318 HydrophobicContact CD1-CG 4.47Å; Y314-L318 HydrophobicContact CE1-CD1 3.39Å; Y314-L318 HydrophobicContact CE1-CG 4.07Å; Y314-L318 HydrophobicContact CE2-CD1 4.45Å; Y314-L318 HydrophobicContact CE2-CD2 4.42Å; Y314-L318 HydrophobicContact CE2-CG 4.31Å; Y314-L318 WeakPolarHBondContact O-CG 3.27Å; Y314-L318 PolarHBondContact O-N 3.45Å; Y314-L329 HydrophobicContact CE1-CD1 3.95Å
315	L	93.3	Very high	91.9	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-40.1	178.9	-69.2	176.7	0	0	0	112.1	I311 H312 S317 L318 Q319 L326 L333 Y336 V359	I311-L315 HydrophobicContact CG2-CD1 3.68Å; I311-L315 HydrophobicContact CG2-CG 3.93Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 VanDerWaalsContact O-CG 3.24Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 2.95Å; H312-L315 PolarHBondContact O-N 3.27Å; L315-S317 VanDerWaalsContact C-N 3.33Å; L315-S317 PolarHBondContact O-N 3.44Å; L315-L318 PolarHBondContact O-N 3.43Å; L315-Q319 WeakPolarHBondContact O-CB 3.41Å; L315-Q319 PolarHBondContact O-N 2.89Å; L315-L326 HydrophobicContact CD2-CD2 3.79Å; L315-L333 HydrophobicContact CD1-CD2 4.14Å; L315-L333 HydrophobicContact CD2-CD2 3.86Å; L315-Y336 HydrophobicContact CD1-CD1 3.9Å; L315-Y336 HydrophobicContact CD1-CD2 3.99Å; L315-Y336 HydrophobicContact CD1-CE1 4.37Å; L315-Y336 HydrophobicContact CD1-CE2 4.46Å; L315-Y336 HydrophobicContact CD1-CG 3.69Å; L315-V359 HydrophobicContact CB-CG2 4.09Å; L315-V359 HydrophobicContact CD1-CG2 4.2Å
316	C	91.2	Very high	91.5	Very high	54 Å²	54	25 Å²	25	37%	0.365	15%	0.151	S	C	.	.	H	α-helix	trans	-60.7	-42.6	173.7	-70.6	0	0	0	0	111.9	H312 Q319 A320	H312-C316 PolarHBondContact CE1-SG 3.37Å; H312-C316 PolarHBondContact O-N 3.44Å; H312-C316 PolarHBondContact O-SG 3.4Å; H312-C316 VanDerWaalsContact O-SG 3.36Å; C316-Q319 PolarHBondContact O-N 3.23Å; C316-A320 WeakPolarHBondContact O-CB 3.32Å; C316-A320 PolarHBondContact O-N 3.27Å; C316-A320 VanDerWaalsContact O-N 3.13Å
317	S	90.9	Very high	91.1	Very high	11 Å²	11	29 Å²	29	8%	0.077	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-45.7	175.8	-176.2	0	0	0	0	111.9	H192 H313 Y314 L315 A320 H321	H192-S317 PolarHBondContact CD2-OG 2.98Å; H192-S317 PolarHBondContact NE2-OG 3.05Å; H313-S317 WeakPolarHBondContact O-CB 3.31Å; H313-S317 PolarHBondContact O-N 3.36Å; Y314-S317 WeakPolarHBondContact O-CB 3.46Å; Y314-S317 PolarHBondContact O-N 3.16Å; L315-S317 VanDerWaalsContact C-N 3.33Å; L315-S317 PolarHBondContact O-N 3.44Å; S317-A320 PolarHBondContact O-N 2.9Å; S317-H321 PolarHBondContact O-N 3.46Å; S317-H321 PolarHBondContact O-ND1 3.4Å
318	L	90.2	Very high	90.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-44	176.6	-72.8	-174.9	0	0	0	112.1	Y314 L315 A320 H321 A322 P323 T325 L326 L329	Y314-L318 HydrophobicContact CD1-CD1 4.01Å; Y314-L318 HydrophobicContact CD1-CG 4.47Å; Y314-L318 HydrophobicContact CE1-CD1 3.39Å; Y314-L318 HydrophobicContact CE1-CG 4.07Å; Y314-L318 HydrophobicContact CE2-CD1 4.45Å; Y314-L318 HydrophobicContact CE2-CD2 4.42Å; Y314-L318 HydrophobicContact CE2-CG 4.31Å; Y314-L318 WeakPolarHBondContact O-CG 3.27Å; Y314-L318 PolarHBondContact O-N 3.45Å; L315-L318 PolarHBondContact O-N 3.43Å; L318-A320 PolarHBondContact O-N 3.42Å; L318-H321 PolarHBondContact O-N 3.39Å; L318-A322 HydrophobicContact CD2-CB 4.2Å; L318-A322 CarbonylContact O-C 3.6Å; L318-A322 WeakPolarHBondContact O-CA 3.49Å; L318-A322 PolarHBondContact O-N 3.09Å; L318-P323 VanDerWaalsContact O-N 3.09Å; L318-T325 HydrophobicContact CD2-CG2 4.36Å; L318-L326 HydrophobicContact CB-CD2 3.94Å; L318-L326 HydrophobicContact CB-CG 4.43Å; L318-L326 HydrophobicContact CD1-CD2 3.98Å; L318-L329 HydrophobicContact CD1-CD1 3.95Å
319	Q	89.4	Confident	90.5	Very high	66 Å²	66	35.3 Å²	35.3	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-61.3	-35.3	178.8	-171.5	173.2	3.9	0	0	111.9	L315 C316	L315-Q319 WeakPolarHBondContact O-CB 3.41Å; L315-Q319 PolarHBondContact O-N 2.89Å; C316-Q319 PolarHBondContact O-N 3.23Å
320	A	88.7	Confident	90.4	Very high	75 Å²	75	39 Å²	39	62%	0.62	22%	0.222	S	C	*	.	H	α-helix	trans	-78.2	-35.9	179	0	0	0	0	0	113.9	C316 S317 L318	C316-A320 WeakPolarHBondContact O-CB 3.32Å; C316-A320 PolarHBondContact O-N 3.27Å; C316-A320 VanDerWaalsContact O-N 3.13Å; S317-A320 PolarHBondContact O-N 2.9Å; L318-A320 PolarHBondContact O-N 3.42Å
321	H	87.8	Confident	90.2	Very high	97 Å²	97	43.9 Å²	43.9	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-118.6	-24.3	-167.9	-54.7	94.8	0	0	0	115	S317 L318	S317-H321 PolarHBondContact O-N 3.46Å; S317-H321 PolarHBondContact O-ND1 3.4Å; L318-H321 PolarHBondContact O-N 3.39Å
322	A	85.8	Confident	90.1	Very high	7 Å²	7	43.9 Å²	43.9	6%	0.058	24%	0.241	C	C	.	.			trans	-151.2	60.1	-174.1	0	0	0	0	0	112.4	A200 L318 S324 T325	A200-A322 HydrophobicContact CB-CB 3.97Å; L318-A322 HydrophobicContact CD2-CB 4.2Å; L318-A322 CarbonylContact O-C 3.6Å; L318-A322 WeakPolarHBondContact O-CA 3.49Å; L318-A322 PolarHBondContact O-N 3.09Å; A322-S324 VanDerWaalsContact C-N 3.26Å; A322-S324 PolarHBondContact O-N 3.09Å; A322-T325 WeakPolarHBondContact O-CB 2.95Å; A322-T325 PolarHBondContact O-N 3Å; A322-T325 VanDerWaalsContact O-N 3.09Å; A322-T325 PolarHBondContact O-OG1 3.2Å
323	P	85.4	Confident	90	Very high	50 Å²	50	44.8 Å²	44.8	33%	0.325	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-68	-23.6	-170.6	28.2	-36.9	0	0	0	113.4	L318 T325 L326 P362	L318-P323 VanDerWaalsContact O-N 3.09Å; P323-T325 PolarHBondContact O-N 2.89Å; P323-L326 WeakPolarHBondContact O-CB 3.35Å; P323-L326 WeakPolarHBondContact O-CG 3.46Å; P323-L326 PolarHBondContact O-N 3.27Å; P323-P362 HydrophobicContact CB-CG 3.75Å; P323-P362 HydrophobicContact CG-CG 4.38Å; P323-P362 WeakPolarHBondContact O-CD 3.38Å
324	S	84.6	Confident	90	Very high	77 Å²	77	45 Å²	45	54%	0.538	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-62.7	-29.1	173.8	51.6	0	0	0	0	112.7	A322 L326 H327	A322-S324 VanDerWaalsContact C-N 3.26Å; A322-S324 PolarHBondContact O-N 3.09Å; S324-L326 PolarHBondContact O-N 2.97Å; S324-H327 PolarHBondContact O-CD2 3.13Å; S324-H327 VanDerWaalsContact O-CD2 3.22Å; S324-H327 PolarHBondContact O-N 3.5Å
325	T	86.4	Confident	90	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.08	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-67.8	-21.2	-178.6	-55.1	0	0	0	0	112.3	A200 L203 L318 A322 P323 H327 H328	A200-T325 PolarHBondContact O-OG1 3.25Å; A200-T325 VanDerWaalsContact O-OG1 3.14Å; L203-T325 HydrophobicContact CD2-CG2 3.41Å; L203-T325 VanDerWaalsContact CD2-CG2 3.41Å; L203-T325 HydrophobicContact CG-CG2 4.01Å; L318-T325 HydrophobicContact CD2-CG2 4.36Å; A322-T325 WeakPolarHBondContact O-CB 2.95Å; A322-T325 PolarHBondContact O-N 3Å; A322-T325 VanDerWaalsContact O-N 3.09Å; A322-T325 PolarHBondContact O-OG1 3.2Å; P323-T325 PolarHBondContact O-N 2.89Å; T325-H327 PolarHBondContact O-N 3.44Å; T325-H328 PolarHBondContact O-N 2.9Å; T325-H328 VanDerWaalsContact O-N 3.1Å
326	L	87.7	Confident	90.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-61.5	-26.4	177.8	-64.4	171.2	0	0	0	113	L315 L318 P323 S324 H328 L329 L333 V359	L315-L326 HydrophobicContact CD2-CD2 3.79Å; L318-L326 HydrophobicContact CB-CD2 3.94Å; L318-L326 HydrophobicContact CB-CG 4.43Å; L318-L326 HydrophobicContact CD1-CD2 3.98Å; P323-L326 WeakPolarHBondContact O-CB 3.35Å; P323-L326 WeakPolarHBondContact O-CG 3.46Å; P323-L326 PolarHBondContact O-N 3.27Å; S324-L326 PolarHBondContact O-N 2.97Å; L326-H328 PolarHBondContact O-N 3.5Å; L326-L329 PolarHBondContact O-N 3.49Å; L326-L329 VanDerWaalsContact O-N 3.11Å; L326-L333 HydrophobicContact CB-CD1 4.34Å; L326-L333 HydrophobicContact CD2-CD2 4.38Å; L326-L333 WeakPolarHBondContact O-CD1 3.21Å; L326-V359 HydrophobicContact CD1-CG1 3.6Å; L326-V359 HydrophobicContact CD2-CG1 4.04Å; L326-V359 HydrophobicContact CG-CG1 4.46Å
327	H	87.9	Confident	90.1	Very high	86 Å²	86	43.9 Å²	43.9	40%	0.398	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-62.7	-23.4	176	-68.9	-67.2	0	0	0	113.6	S324 T325 L329 V361 P362	S324-H327 PolarHBondContact O-CD2 3.13Å; S324-H327 VanDerWaalsContact O-CD2 3.22Å; S324-H327 PolarHBondContact O-N 3.5Å; T325-H327 PolarHBondContact O-N 3.44Å; H327-L329 VanDerWaalsContact C-N 3.32Å; H327-V361 WeakPolarHBondContact CE1-CG1 3.29Å; H327-V361 WeakPolarHBondContact ND1-CG1 3.26Å; H327-P362 PolarHBondContact CE1-O 2.95Å; H327-P362 PolarHBondContact NE2-O 3.21Å
328	H	89.5	Confident	90.1	Very high	131 Å²	131	44.1 Å²	44.1	61%	0.606	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-86.4	-2.2	178.9	-60.9	-75.3	0	0	0	113.3	L203 T325 L326 P330	L203-H328 HydrophobicContact CD1-CB 3.75Å; T325-H328 PolarHBondContact O-N 2.9Å; T325-H328 VanDerWaalsContact O-N 3.1Å; L326-H328 PolarHBondContact O-N 3.5Å; H328-P330 WeakPolarHBondContact O-CD 3.38Å
329	L	92.8	Very high	90.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.238	C	C	.	.			trans	-123.8	44.9	-176.3	-60.3	174.8	0	0	0	113.6	L203 I207 E211 Y314 L318 L326 H327 R331 L332 L333	L203-L329 HydrophobicContact CD1-CD2 3.99Å; L203-L329 HydrophobicContact CD1-CG 4.37Å; L203-L329 HydrophobicContact CD2-CD1 3.84Å; L203-L329 HydrophobicContact CD2-CD2 4.18Å; L203-L329 HydrophobicContact CD2-CG 4.12Å; I207-L329 HydrophobicContact CG2-CD1 4.22Å; I207-L329 HydrophobicContact CG2-CD2 3.91Å; E211-L329 HydrophobicContact CB-CD2 4.19Å; E211-L329 HydrophobicContact CG-CD2 4.28Å; Y314-L329 HydrophobicContact CE1-CD1 3.95Å; L318-L329 HydrophobicContact CD1-CD1 3.95Å; L326-L329 PolarHBondContact O-N 3.49Å; L326-L329 VanDerWaalsContact O-N 3.11Å; H327-L329 VanDerWaalsContact C-N 3.32Å; L329-R331 VanDerWaalsContact C-N 3.34Å; L329-R331 PolarHBondContact O-N 2.97Å; L329-L332 HydrophobicContact CB-CB 4.23Å; L329-L332 HydrophobicContact CB-CD2 4.47Å; L329-L332 HydrophobicContact CD1-CD2 4.16Å; L329-L332 HydrophobicContact CD2-CD2 4.47Å; L329-L332 PolarHBondContact O-N 3.36Å; L329-L333 VanDerWaalsContact O-CG 3.29Å; L329-L333 WeakPolarHBondContact O-CG 3.37Å; L329-L333 PolarHBondContact O-N 3.3Å
330	P	93.1	Very high	90.3	Very high	77 Å²	77	43.3 Å²	43.3	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-35.1	-173.2	26.9	-35.6	0	0	0	113.5	E211 H328 R334	E211-P330 VanDerWaalsContact OE1-CD 3.25Å; E211-P330 WeakPolarHBondContact OE1-CD 3.22Å; H328-P330 WeakPolarHBondContact O-CD 3.38Å; P330-R334 WeakPolarHBondContact O-CB 3.23Å; P330-R334 PolarHBondContact O-N 2.85Å
331	R	92.4	Very high	90.3	Very high	104 Å²	104	45.1 Å²	45.1	39%	0.392	23%	0.228	S	C	.	.	H	α-helix	trans	-78.4	-37.1	-177.5	-57.2	174.4	-177	-89.6	-0.5	111.3	E211 L214 A215 L329 L333 R334 W335	E211-R331 WeakPolarHBondContact OE1-CB 3.47Å; E211-R331 VanDerWaalsContact OE1-CG 3.29Å; E211-R331 WeakPolarHBondContact OE1-CG 3.16Å; E211-R331 PolarHBondContact OE1-N 3.43Å; E211-R331 PolarHBondContact OE2-N 3.09Å; L214-R331 HydrophobicContact CB-CB 3.94Å; L214-R331 HydrophobicContact CD1-CB 4.41Å; A215-R331 VanDerWaalsContact CB-NE 3.29Å; L329-R331 VanDerWaalsContact C-N 3.34Å; L329-R331 PolarHBondContact O-N 2.97Å; R331-L333 VanDerWaalsContact C-N 3.35Å; R331-R334 PolarHBondContact O-N 3.3Å; R331-W335 WeakPolarHBondContact O-CB 3.22Å; R331-W335 PolarHBondContact O-N 3.35Å
332	L	94.1	Very high	90.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-42.7	172.9	-172.8	66.6	0	0	0	111.4	I207 L210 E211 L214 I311 L329 W335 Y336	I207-L332 HydrophobicContact CG2-CD2 3.94Å; L210-L332 HydrophobicContact CD2-CD1 3.49Å; L210-L332 VanDerWaalsContact CD2-CD1 3.49Å; L210-L332 HydrophobicContact CG-CD1 4.15Å; E211-L332 VanDerWaalsContact OE2-CB 3.22Å; E211-L332 WeakPolarHBondContact OE2-CB 3.21Å; E211-L332 PolarHBondContact OE2-N 2.89Å; L214-L332 HydrophobicContact CD1-CD1 4.27Å; I311-L332 HydrophobicContact CD1-CD1 4.06Å; I311-L332 HydrophobicContact CD1-CD2 4.26Å; I311-L332 HydrophobicContact CG1-CD1 4.08Å; I311-L332 HydrophobicContact CG2-CD1 3.87Å; I311-L332 HydrophobicContact CG2-CD2 4Å; I311-L332 HydrophobicContact CG2-CG 3.88Å; L329-L332 HydrophobicContact CB-CB 4.23Å; L329-L332 HydrophobicContact CB-CD2 4.47Å; L329-L332 HydrophobicContact CD1-CD2 4.16Å; L329-L332 HydrophobicContact CD2-CD2 4.47Å; L329-L332 PolarHBondContact O-N 3.36Å; L332-W335 HydrophobicContact CD1-CE3 3.92Å; L332-W335 HydrophobicContact CD1-CZ3 4.37Å; L332-W335 PolarHBondContact O-N 2.86Å; L332-Y336 WeakPolarHBondContact O-CB 3.11Å; L332-Y336 PolarHBondContact O-N 3.15Å
333	L	93.4	Very high	90.3	Very high	29 Å²	29	44.1 Å²	44.1	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-42.8	174	-71.7	171.5	0	0	0	111.7	L315 L326 L329 R331 Y336 G337 V359 V361	L315-L333 HydrophobicContact CD1-CD2 4.14Å; L315-L333 HydrophobicContact CD2-CD2 3.86Å; L326-L333 HydrophobicContact CB-CD1 4.34Å; L326-L333 HydrophobicContact CD2-CD2 4.38Å; L326-L333 WeakPolarHBondContact O-CD1 3.21Å; L329-L333 VanDerWaalsContact O-CG 3.29Å; L329-L333 WeakPolarHBondContact O-CG 3.37Å; L329-L333 PolarHBondContact O-N 3.3Å; R331-L333 VanDerWaalsContact C-N 3.35Å; L333-Y336 PolarHBondContact O-N 3.26Å; L333-G337 PolarHBondContact O-N 3.24Å; L333-V359 HydrophobicContact CD2-CB 4Å; L333-V359 HydrophobicContact CD2-CG1 3.96Å; L333-V359 HydrophobicContact CD2-CG2 4.45Å; L333-V361 HydrophobicContact CD1-CG2 3.69Å
334	R	91.7	Very high	90.4	Very high	62 Å²	62	42.7 Å²	42.7	23%	0.234	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-44.2	175	-176.2	176.2	176.8	-144.6	-8.4	111.9	E252 E291 P330 R331 G337 R338	E252-R334 VanDerWaalsContact CG-NH2 3.26Å; E252-R334 IonicContact OE1-CZ 2.81Å; E252-R334 IonicContact OE1-NE 3.85Å; E252-R334 IonicContact OE1-NH1 3.66Å; E252-R334 IonicContact OE1-NH2 2.73Å; E252-R334 PolarHBondContact OE1-NH2 2.81Å; E252-R334 VanDerWaalsContact OE1-NH2 3.13Å; E252-R334 IonicContact OE2-CZ 2.78Å; E252-R334 IonicContact OE2-NE 3.99Å; E252-R334 PolarHBondContact OE2-NE 3.09Å; E252-R334 IonicContact OE2-NH2 3.29Å; E252-R334 PolarHBondContact OE2-NH2 3.49Å; E291-R334 IonicContact OE2-CZ 3.65Å; E291-R334 VanDerWaalsContact OE2-CZ 3.3Å; E291-R334 IonicContact OE2-NH1 3.6Å; E291-R334 PolarHBondContact OE2-NH1 3.25Å; E291-R334 IonicContact OE2-NH2 3.37Å; E291-R334 PolarHBondContact OE2-NH2 3.37Å; P330-R334 WeakPolarHBondContact O-CB 3.23Å; P330-R334 PolarHBondContact O-N 2.85Å; R331-R334 PolarHBondContact O-N 3.3Å; R334-G337 PolarHBondContact O-N 3.14Å; R334-R338 WeakPolarHBondContact O-CG 3.42Å; R334-R338 PolarHBondContact O-N 2.55Å; R334-R338 VanDerWaalsContact O-N 3.12Å
335	W	94.6	Very high	90.8	Very high	5 Å²	5	39 Å²	39	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-47	174.1	168.4	83.8	0	0	0	111.4	L214 D304 L307 L308 I311 R331 L332 G337 R338 V339	L214-W335 HydrophobicContact CD1-CB 3.98Å; L214-W335 HydrophobicContact CD1-CG 4.37Å; L214-W335 HydrophobicContact CD2-CG 4.5Å; D304-W335 HydrophobicContact CB-CZ2 4.36Å; D304-W335 PolarHBondContact OD1-NE1 3.21Å; L307-W335 HydrophobicContact CB-CH2 3.58Å; L307-W335 HydrophobicContact CB-CZ2 3.7Å; L307-W335 HydrophobicContact CD1-CZ2 4.33Å; L308-W335 HydrophobicContact CB-CH2 4.37Å; I311-W335 HydrophobicContact CB-CH2 4.29Å; I311-W335 HydrophobicContact CB-CZ3 3.7Å; I311-W335 HydrophobicContact CG1-CH2 4.14Å; I311-W335 HydrophobicContact CG1-CZ3 3.78Å; I311-W335 HydrophobicContact CG2-CE3 4.33Å; I311-W335 HydrophobicContact CG2-CZ3 3.72Å; R331-W335 WeakPolarHBondContact O-CB 3.22Å; R331-W335 PolarHBondContact O-N 3.35Å; L332-W335 HydrophobicContact CD1-CE3 3.92Å; L332-W335 HydrophobicContact CD1-CZ3 4.37Å; L332-W335 PolarHBondContact O-N 2.86Å; W335-G337 VanDerWaalsContact C-N 3.33Å; W335-G337 PolarHBondContact O-N 2.99Å; W335-R338 PolarHBondContact O-N 2.98Å; W335-R338 VanDerWaalsContact O-N 3.13Å; W335-V339 HydrophobicContact CD2-CG2 4.14Å; W335-V339 HydrophobicContact CH2-CG2 4.46Å; W335-V339 HydrophobicContact CZ2-CG2 3.78Å; W335-V339 WeakPolarHBondContact O-CG2 3.07Å; W335-V339 PolarHBondContact O-N 3Å
336	Y	94.6	Very high	91	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-41.2	179	179.6	-102.5	0	0	0	111.8	L308 I311 H312 L315 L332 L333 R338 V339 R340 L356 V359	L308-Y336 HydrophobicContact CD1-CD2 3.93Å; L308-Y336 HydrophobicContact CD1-CE2 3.78Å; I311-Y336 HydrophobicContact CG2-CD2 4.48Å; H312-Y336 HydrophobicContact CB-CE2 4.01Å; H312-Y336 AromaticContact ND1-CZ 3.81Å; H312-Y336 PolarHBondContact ND1-OH 2.91Å; L315-Y336 HydrophobicContact CD1-CD1 3.9Å; L315-Y336 HydrophobicContact CD1-CD2 3.99Å; L315-Y336 HydrophobicContact CD1-CE1 4.37Å; L315-Y336 HydrophobicContact CD1-CE2 4.46Å; L315-Y336 HydrophobicContact CD1-CG 3.69Å; L332-Y336 WeakPolarHBondContact O-CB 3.11Å; L332-Y336 PolarHBondContact O-N 3.15Å; L333-Y336 PolarHBondContact O-N 3.26Å; Y336-R338 PolarHBondContact O-N 3.45Å; Y336-V339 PolarHBondContact O-N 3.06Å; Y336-R340 WeakPolarHBondContact O-CG 3.25Å; Y336-R340 PolarHBondContact O-N 3.47Å; Y336-L356 HydrophobicContact CE2-CD2 4.3Å; Y336-L356 WeakPolarHBondContact OH-CD2 3.3Å; Y336-V359 HydrophobicContact CD1-CG2 4.31Å; Y336-V359 HydrophobicContact CE1-CG2 3.99Å
337	G	91.3	Very high	91.1	Very high	22 Å²	22	46.8 Å²	46.8	23%	0.227	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-46.7	172.3	0	0	0	0	0	112.7	L333 R334 W335 R340	L333-G337 PolarHBondContact O-N 3.24Å; R334-G337 PolarHBondContact O-N 3.14Å; W335-G337 VanDerWaalsContact C-N 3.33Å; W335-G337 PolarHBondContact O-N 2.99Å; G337-R340 WeakPolarHBondContact O-CB 3.44Å; G337-R340 PolarHBondContact O-N 2.98Å
338	R	90.8	Very high	91.4	Very high	15 Å²	15	42.7 Å²	42.7	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-68.1	-38.6	-179.6	-71.1	170	170.1	173.2	-13.5	113.7	E252 L256 H292 V293 F294 R334 W335 Y336 R340 E341	E252-R338 IonicContact OE2-NH2 3.4Å; L256-R338 HydrophobicContact CD1-CB 4.13Å; L256-R338 HydrophobicContact CD1-CG 4.13Å; L256-R338 HydrophobicContact CD2-CG 4.03Å; H292-R338 PolarHBondContact O-NH1 3.17Å; V293-R338 VanDerWaalsContact O-CD 3.25Å; V293-R338 WeakPolarHBondContact O-CD 3.28Å; F294-R338 HydrophobicContact CE1-CB 4.4Å; R334-R338 WeakPolarHBondContact O-CG 3.42Å; R334-R338 PolarHBondContact O-N 2.55Å; R334-R338 VanDerWaalsContact O-N 3.12Å; W335-R338 PolarHBondContact O-N 2.98Å; W335-R338 VanDerWaalsContact O-N 3.13Å; Y336-R338 PolarHBondContact O-N 3.45Å; R338-R340 PolarHBondContact O-N 3.1Å; R338-E341 WeakPolarHBondContact O-CB 3.36Å; R338-E341 PolarHBondContact O-N 2.65Å
339	V	92.4	Very high	91.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-33	177.1	170.5	0	0	0	0	111	F294 F300 D304 L308 W335 Y336 E341 V342 V345	F294-V339 HydrophobicContact CD1-CG2 3.94Å; F294-V339 HydrophobicContact CE1-CG2 4.04Å; F300-V339 HydrophobicContact CE2-CG1 4.02Å; F300-V339 HydrophobicContact CE2-CG2 4.32Å; D304-V339 HydrophobicContact CB-CG2 4.43Å; L308-V339 HydrophobicContact CB-CG1 4.28Å; L308-V339 HydrophobicContact CD1-CG1 3.79Å; L308-V339 HydrophobicContact CD2-CG1 3.75Å; L308-V339 HydrophobicContact CG-CG1 4.15Å; W335-V339 HydrophobicContact CD2-CG2 4.14Å; W335-V339 HydrophobicContact CH2-CG2 4.46Å; W335-V339 HydrophobicContact CZ2-CG2 3.78Å; W335-V339 WeakPolarHBondContact O-CG2 3.07Å; W335-V339 PolarHBondContact O-N 3Å; Y336-V339 PolarHBondContact O-N 3.06Å; V339-E341 PolarHBondContact O-N 3.36Å; V339-V342 WeakPolarHBondContact O-CB 3.39Å; V339-V342 PolarHBondContact O-N 2.76Å; V339-V342 VanDerWaalsContact O-N 3.17Å; V339-V345 HydrophobicContact CG1-CG1 4.17Å; V339-V345 HydrophobicContact CG1-CG2 4.43Å; V339-V345 WeakPolarHBondContact O-CG1 3.44Å
340	R	91.5	Very high	91.3	Very high	52 Å²	52	43.2 Å²	43.2	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-25.3	174.4	-66.6	166.3	66.1	-128.8	2.7	113.4	Y336 G337 R338 V342 L356 E358	Y336-R340 WeakPolarHBondContact O-CG 3.25Å; Y336-R340 PolarHBondContact O-N 3.47Å; G337-R340 WeakPolarHBondContact O-CB 3.44Å; G337-R340 PolarHBondContact O-N 2.98Å; R338-R340 PolarHBondContact O-N 3.1Å; R340-V342 VanDerWaalsContact C-N 3.29Å; R340-L356 HydrophobicContact CG-CB 4.1Å; R340-L356 HydrophobicContact CG-CD1 4.17Å; R340-L356 PolarHBondContact NE-O 3.31Å; R340-L356 PolarHBondContact NH2-O 3.05Å; R340-E358 IonicContact NH1-OE1 3.71Å
341	E	88.8	Confident	91	Very high	114 Å²	114	42.3 Å²	42.3	53%	0.533	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.3	177.1	-62.7	179.8	-141.3	0	0	113.1	L256 R338 V339 P343	L256-E341 WeakPolarHBondContact CD2-OE2 3.37Å; R338-E341 WeakPolarHBondContact O-CB 3.36Å; R338-E341 PolarHBondContact O-N 2.65Å; V339-E341 PolarHBondContact O-N 3.36Å; E341-P343 WeakPolarHBondContact O-CD 3.45Å
342	V	88.9	Confident	90.9	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.195	C	C	.	.	S	Bend	trans	-71.6	127	-178.3	176	0	0	0	0	110.4	L260 L263 F294 F300 V339 R340 G344 V345	L260-V342 HydrophobicContact CD2-CB 4.46Å; L260-V342 HydrophobicContact CD2-CG2 3.98Å; L263-V342 HydrophobicContact CD1-CG1 3.77Å; F294-V342 HydrophobicContact CE1-CG2 3.54Å; F294-V342 HydrophobicContact CZ-CG2 3.48Å; F294-V342 VanDerWaalsContact CZ-CG2 3.48Å; F300-V342 HydrophobicContact CD1-CG1 3.95Å; F300-V342 HydrophobicContact CD2-CG1 4.32Å; F300-V342 HydrophobicContact CD2-CG2 3.81Å; F300-V342 HydrophobicContact CE1-CG1 4.03Å; F300-V342 HydrophobicContact CE2-CG1 4.38Å; F300-V342 HydrophobicContact CE2-CG2 4.14Å; F300-V342 HydrophobicContact CG-CG1 4.1Å; F300-V342 HydrophobicContact CG-CG2 4.16Å; F300-V342 HydrophobicContact CZ-CG1 4.24Å; V339-V342 WeakPolarHBondContact O-CB 3.39Å; V339-V342 PolarHBondContact O-N 2.76Å; V339-V342 VanDerWaalsContact O-N 3.17Å; R340-V342 VanDerWaalsContact C-N 3.29Å; V342-G344 PolarHBondContact O-N 2.8Å; V342-V345 HydrophobicContact CB-CB 4.35Å; V342-V345 HydrophobicContact CB-CG2 3.7Å; V342-V345 HydrophobicContact CG1-CG2 3.84Å; V342-V345 WeakPolarHBondContact O-CB 3.42Å; V342-V345 PolarHBondContact O-N 3.28Å; V342-V345 VanDerWaalsContact O-N 3.14Å
343	P	83.4	Confident	90.5	Very high	79 Å²	79	40.3 Å²	40.3	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	134.9	174.6	-27.1	34.6	0	0	0	112	E341 V345	E341-P343 WeakPolarHBondContact O-CD 3.45Å; P343-V345 VanDerWaalsContact C-N 3.29Å; P343-V345 PolarHBondContact O-N 3.33Å
344	G	87.6	Confident	90.1	Very high	21 Å²	21	39.4 Å²	39.4	22%	0.216	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-18	-179.6	0	0	0	0	0	115.3	V342 A348	V342-G344 PolarHBondContact O-N 2.8Å; G344-A348 VanDerWaalsContact O-CB 3.3Å; G344-A348 WeakPolarHBondContact O-CB 3.5Å; G344-A348 PolarHBondContact O-N 3Å
345	V	93.1	Very high	89.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-47.9	178.2	166.9	0	0	0	0	111.8	F64 Y68 F300 L308 V339 V342 P343 R347 A348 A349 L356	F64-V345 HydrophobicContact CZ-CG1 4.21Å; F64-V345 HydrophobicContact CZ-CG2 4.49Å; Y68-V345 HydrophobicContact CD2-CG2 4.27Å; Y68-V345 HydrophobicContact CE2-CG2 3.91Å; F300-V345 HydrophobicContact CE2-CG2 4.36Å; F300-V345 HydrophobicContact CZ-CG2 3.84Å; L308-V345 HydrophobicContact CD2-CG1 3.54Å; V339-V345 HydrophobicContact CG1-CG1 4.17Å; V339-V345 HydrophobicContact CG1-CG2 4.43Å; V339-V345 WeakPolarHBondContact O-CG1 3.44Å; V342-V345 HydrophobicContact CB-CB 4.35Å; V342-V345 HydrophobicContact CB-CG2 3.7Å; V342-V345 HydrophobicContact CG1-CG2 3.84Å; V342-V345 WeakPolarHBondContact O-CB 3.42Å; V342-V345 PolarHBondContact O-N 3.28Å; V342-V345 VanDerWaalsContact O-N 3.14Å; P343-V345 VanDerWaalsContact C-N 3.29Å; P343-V345 PolarHBondContact O-N 3.33Å; V345-R347 PolarHBondContact O-N 3.32Å; V345-A348 PolarHBondContact O-N 3.01Å; V345-A349 VanDerWaalsContact O-CB 3.27Å; V345-A349 WeakPolarHBondContact O-CB 3.38Å; V345-A349 PolarHBondContact O-N 3.03Å; V345-L356 HydrophobicContact CG1-CD1 3.77Å
346	L	90.8	Very high	89.5	Confident	83 Å²	83	42.2 Å²	42.2	44%	0.435	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-48.3	-179.4	-69.7	172.1	0	0	0	111.6	A348 A349 E350 L356	L346-A348 PolarHBondContact O-N 3.28Å; L346-A349 WeakPolarHBondContact O-CB 3.49Å; L346-A349 PolarHBondContact O-N 3.08Å; L346-E350 WeakPolarHBondContact O-CG 3.42Å; L346-E350 PolarHBondContact O-N 3.25Å; L346-L356 HydrophobicContact CD2-CB 4.33Å; L346-L356 HydrophobicContact CD2-CD1 4.31Å
347	R	91	Very high	88.8	Confident	93 Å²	93	45.1 Å²	45.1	35%	0.351	26%	0.255	S	S	.	.	H	α-helix	trans	-55.8	-50.5	174.5	177	-165	63	-157.8	2.8	111.5	Y68 E70 V345 A349 E350 D351	Y68-R347 PolarHBondContact O-NH2 2.97Å; E70-R347 IonicContact OE1-CZ 2.81Å; E70-R347 IonicContact OE1-NH1 3.39Å; E70-R347 PolarHBondContact OE1-NH1 3.47Å; E70-R347 IonicContact OE1-NH2 3.86Å; E70-R347 PolarHBondContact OE1-NH2 3.13Å; V345-R347 PolarHBondContact O-N 3.32Å; R347-A349 PolarHBondContact O-N 2.85Å; R347-E350 PolarHBondContact O-N 2.95Å; R347-D351 PolarHBondContact O-N 3.34Å
348	A	92.5	Very high	88.2	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-31.7	-178.1	0	0	0	0	0	113.1	F64 S67 Y68 G344 V345 L346 C352	F64-A348 HydrophobicContact CD2-CB 4.1Å; F64-A348 HydrophobicContact CE2-CB 3.66Å; F64-A348 HydrophobicContact CZ-CB 4.03Å; S67-A348 VanDerWaalsContact OG-CA 3.26Å; S67-A348 WeakPolarHBondContact OG-CA 3.48Å; Y68-A348 HydrophobicContact CD2-CB 4.39Å; G344-A348 VanDerWaalsContact O-CB 3.3Å; G344-A348 WeakPolarHBondContact O-CB 3.5Å; G344-A348 PolarHBondContact O-N 3Å; V345-A348 PolarHBondContact O-N 3.01Å; L346-A348 PolarHBondContact O-N 3.28Å; A348-C352 WeakPolarHBondContact O-CB 3.41Å; A348-C352 PolarHBondContact O-N 3.43Å; A348-C352 PolarHBondContact O-SG 2.87Å
349	A	91.5	Very high	87.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-69.2	-47	175.2	0	0	0	0	0	110.9	F64 V345 L346 R347 D351 C352 G353 L354 L356	F64-A349 HydrophobicContact CE2-CB 4.12Å; V345-A349 VanDerWaalsContact O-CB 3.27Å; V345-A349 WeakPolarHBondContact O-CB 3.38Å; V345-A349 PolarHBondContact O-N 3.03Å; L346-A349 WeakPolarHBondContact O-CB 3.49Å; L346-A349 PolarHBondContact O-N 3.08Å; R347-A349 PolarHBondContact O-N 2.85Å; A349-D351 PolarHBondContact O-N 3.45Å; A349-C352 CarbonylContact O-C 3.23Å; A349-C352 PolarHBondContact O-N 2.86Å; A349-C352 VanDerWaalsContact O-N 3.09Å; A349-G353 PolarHBondContact O-N 3.4Å; A349-G353 VanDerWaalsContact O-N 3.11Å; A349-L354 CarbonylContact C-O 3.11Å; A349-L354 HydrophobicContact CB-CB 3.96Å; A349-L354 WeakPolarHBondContact CB-O 3.33Å; A349-L354 WeakPolarHBondContact O-CA 3.15Å; A349-L354 WeakPolarHBondContact O-CB 3.42Å; A349-L354 PolarHBondContact O-N 3.36Å; A349-L356 HydrophobicContact CB-CD1 3.48Å; A349-L356 VanDerWaalsContact CB-CD1 3.48Å; A349-L356 HydrophobicContact CB-CD2 4.27Å; A349-L356 HydrophobicContact CB-CG 3.59Å
350	E	89.4	Confident	86.9	Confident	142 Å²	142	58.7 Å²	58.7	66%	0.664	32%	0.315	S	S	*	.	H	α-helix	trans	-57.2	-47.8	174.9	-73.7	171.2	-173.3	0	0	111.7	L346 R347 C352 G353	L346-E350 WeakPolarHBondContact O-CG 3.42Å; L346-E350 PolarHBondContact O-N 3.25Å; R347-E350 PolarHBondContact O-N 2.95Å; E350-C352 PolarHBondContact O-N 3.27Å; E350-G353 PolarHBondContact O-N 3.45Å
351	D	87.7	Confident	86	Confident	58 Å²	58	59.3 Å²	59.3	31%	0.31	32%	0.324	S	S	.	.	H	α-helix	trans	-57.3	-30.2	175.9	-76.8	0.4	0	0	0	113.2	S67 P97 R347 A349	S67-D351 VanDerWaalsContact OG-CB 3.29Å; S67-D351 WeakPolarHBondContact OG-CB 3.44Å; S67-D351 PolarHBondContact OG-OD2 2.59Å; P97-D351 WeakPolarHBondContact CA-O 3.34Å; P97-D351 HydrophobicContact CB-CB 4.02Å; P97-D351 HydrophobicContact CG-CB 4.18Å; R347-D351 PolarHBondContact O-N 3.34Å; A349-D351 PolarHBondContact O-N 3.45Å
352	C	88.7	Confident	84.9	Confident	22 Å²	22	56.2 Å²	56.2	15%	0.149	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	7.2	179.6	-67.2	0	0	0	0	113.3	A348 A349 E350 L354	A348-C352 WeakPolarHBondContact O-CB 3.41Å; A348-C352 PolarHBondContact O-N 3.43Å; A348-C352 PolarHBondContact O-SG 2.87Å; A349-C352 CarbonylContact O-C 3.23Å; A349-C352 PolarHBondContact O-N 2.86Å; A349-C352 VanDerWaalsContact O-N 3.09Å; E350-C352 PolarHBondContact O-N 3.27Å; C352-L354 VanDerWaalsContact C-N 3.27Å; C352-L354 HydrophobicContact CB-CD1 4.37Å; C352-L354 HydrophobicContact CB-CG 4.22Å; C352-L354 PolarHBondContact O-N 3.47Å
353	G	85.7	Confident	83.2	Confident	39 Å²	39	62.2 Å²	62.2	40%	0.402	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	19.8	-177.5	0	0	0	0	0	114.7	A349 E350	A349-G353 PolarHBondContact O-N 3.4Å; A349-G353 VanDerWaalsContact O-N 3.11Å; E350-G353 PolarHBondContact O-N 3.45Å
354	L	86.9	Confident	81.5	Confident	11 Å²	11	63.5 Å²	63.5	6%	0.058	36%	0.359	C	S	.	.			trans	-92.9	105.3	176.4	-58.1	176.9	0	0	0	110	F64 P309 A349 C352 L356	F64-L354 HydrophobicContact CD2-CD1 4.16Å; P309-L354 HydrophobicContact CB-CD1 4.38Å; P309-L354 HydrophobicContact CG-CD1 4.43Å; A349-L354 CarbonylContact C-O 3.11Å; A349-L354 HydrophobicContact CB-CB 3.96Å; A349-L354 WeakPolarHBondContact CB-O 3.33Å; A349-L354 WeakPolarHBondContact O-CA 3.15Å; A349-L354 WeakPolarHBondContact O-CB 3.42Å; A349-L354 PolarHBondContact O-N 3.36Å; C352-L354 VanDerWaalsContact C-N 3.27Å; C352-L354 HydrophobicContact CB-CD1 4.37Å; C352-L354 HydrophobicContact CB-CG 4.22Å; C352-L354 PolarHBondContact O-N 3.47Å; L354-L356 HydrophobicContact CB-CD2 4.4Å; L354-L356 PolarHBondContact O-N 2.84Å
355	V	87.5	Confident	79.2	Confident	108 Å²	108	66.7 Å²	66.7	66%	0.655	38%	0.378	S	S	*	.			trans	-85.5	91.6	179.5	-174.2	0	0	0	0	110	H312 S357	H312-V355 PolarHBondContact CE1-O 2.68Å; H312-V355 VanDerWaalsContact CE1-O 3.3Å; V355-S357 VanDerWaalsContact C-N 3.29Å; V355-S357 PolarHBondContact O-N 2.81Å
356	L	86.2	Confident	76.6	Confident	17 Å²	17	75.2 Å²	75.2	9%	0.089	42%	0.423	C	S	.	.			trans	-72.9	76	-177	-56.5	-175.5	0	0	0	113	L308 H312 Y336 R340 V345 L346 A349 L354	L308-L356 HydrophobicContact CD1-CD2 4.4Å; L308-L356 HydrophobicContact CD2-CD1 4.37Å; H312-L356 HydrophobicContact CB-CD2 4.36Å; H312-L356 WeakPolarHBondContact ND1-CD2 3.1Å; Y336-L356 HydrophobicContact CE2-CD2 4.3Å; Y336-L356 WeakPolarHBondContact OH-CD2 3.3Å; R340-L356 HydrophobicContact CG-CB 4.1Å; R340-L356 HydrophobicContact CG-CD1 4.17Å; R340-L356 PolarHBondContact NE-O 3.31Å; R340-L356 PolarHBondContact NH2-O 3.05Å; V345-L356 HydrophobicContact CG1-CD1 3.77Å; L346-L356 HydrophobicContact CD2-CB 4.33Å; L346-L356 HydrophobicContact CD2-CD1 4.31Å; A349-L356 HydrophobicContact CB-CD1 3.48Å; A349-L356 VanDerWaalsContact CB-CD1 3.48Å; A349-L356 HydrophobicContact CB-CD2 4.27Å; A349-L356 HydrophobicContact CB-CG 3.59Å; L354-L356 HydrophobicContact CB-CD2 4.4Å; L354-L356 PolarHBondContact O-N 2.84Å
357	S	79.3	Confident	74	Confident	68 Å²	68	80 Å²	80	48%	0.476	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-81.3	159.2	175.3	-61.3	0	0	0	0	112.6	V355	V355-S357 VanDerWaalsContact C-N 3.29Å; V355-S357 PolarHBondContact O-N 2.81Å
358	E	79.4	Confident	71.2	Confident	145 Å²	145	78.7 Å²	78.7	68%	0.678	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-66.9	131	167.1	-80.4	-174.6	175.6	0	0	110.5	R340 Q360	R340-E358 IonicContact NH1-OE1 3.71Å; E358-Q360 PolarHBondContact O-N 3.41Å
359	V	80.5	Confident	68.3	Low	25 Å²	25	84.4 Å²	84.4	15%	0.152	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-82.6	117	176.6	-178.9	0	0	0	0	108.1	L315 L326 L333 Y336 V361	L315-V359 HydrophobicContact CB-CG2 4.09Å; L315-V359 HydrophobicContact CD1-CG2 4.2Å; L326-V359 HydrophobicContact CD1-CG1 3.6Å; L326-V359 HydrophobicContact CD2-CG1 4.04Å; L326-V359 HydrophobicContact CG-CG1 4.46Å; L333-V359 HydrophobicContact CD2-CB 4Å; L333-V359 HydrophobicContact CD2-CG1 3.96Å; L333-V359 HydrophobicContact CD2-CG2 4.45Å; Y336-V359 HydrophobicContact CD1-CG2 4.31Å; Y336-V359 HydrophobicContact CE1-CG2 3.99Å; V359-V361 PolarHBondContact O-N 3.33Å
360	Q	74.9	Confident	65.6	Low	151 Å²	151	90.1 Å²	90.1	71%	0.706	53%	0.53	S	S	*	.			trans	-80.3	115.5	179.8	-65	-178.2	2.2	0	0	109.7	E358	E358-Q360 PolarHBondContact O-N 3.41Å
361	V	71.6	Confident	62.9	Low	65 Å²	65	91.6 Å²	91.6	39%	0.394	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-81.5	123.8	171.3	-177.9	0	0	0	0	107.8	H327 L333 V359 T363	H327-V361 WeakPolarHBondContact CE1-CG1 3.29Å; H327-V361 WeakPolarHBondContact ND1-CG1 3.26Å; L333-V361 HydrophobicContact CD1-CG2 3.69Å; V359-V361 PolarHBondContact O-N 3.33Å; V361-T363 PolarHBondContact O-N 3.02Å
362	P	67.2	Low	60.4	Low	49 Å²	49	97.3 Å²	97.3	32%	0.318	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-52.9	138	176.5	-25	33.7	0	0	0	111.1	P323 H327	P323-P362 HydrophobicContact CB-CG 3.75Å; P323-P362 HydrophobicContact CG-CG 4.38Å; P323-P362 WeakPolarHBondContact O-CD 3.38Å; H327-P362 PolarHBondContact CE1-O 2.95Å; H327-P362 PolarHBondContact NE2-O 3.21Å
363	T	53	Low	57.8	Low	129 Å²	129	103.9 Å²	103.9	79%	0.791	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-66.5	131.8	172.8	-44.2	0	0	0	0	108.1	V361 S365	V361-T363 PolarHBondContact O-N 3.02Å; T363-S365 PolarHBondContact O-N 3.43Å
364	P	47.7	Very low	55.2	Low	107 Å²	107	106.8 Å²	106.8	70%	0.695	60%	0.597	S	S	*	*			trans	-60.7	107	179	22.9	-31.3	0	0	0	108.9	L366	P364-L366 PolarHBondContact O-N 3.45Å
365	S	39.4	Very low	52.6	Low	88 Å²	88	111.7 Å²	111.7	62%	0.615	63%	0.63	S	S	*	*			trans	-61.8	131.8	165.8	46.2	0	0	0	0	107.8	T363 F367	T363-S365 PolarHBondContact O-N 3.43Å; S365-F367 PolarHBondContact O-N 2.9Å
366	L	38.2	Very low	50	Low	179 Å²	179	113 Å²	113	94%	0.937	63%	0.633	S	S	*	*	S	Bend	trans	-52.7	79.9	175.4	-76	149.7	0	0	0	111.6	P364	P364-L366 PolarHBondContact O-N 3.45Å
367	F	35.3	Very low	47.5	Very low	183 Å²	183	118.6 Å²	118.6	80%	0.803	66%	0.664	S	S	*	*			trans	-135.7	95.6	172.5	-86.8	-77.2	0	0	0	108.6	S365	S365-F367 PolarHBondContact O-N 2.9Å
368	G	33.5	Very low	45.3	Very low	65 Å²	65	121.1 Å²	121.1	67%	0.67	67%	0.671	S	S	*	*			trans	62.9	151.3	161.5	0	0	0	0	0	116.8
369	P	31.6	Very low	43.1	Very low	120 Å²	120	119.5 Å²	119.5	78%	0.779	67%	0.666	S	S	*	*	S	Bend	trans	-58.5	140.6	165.8	26.4	-29.6	0	0	0	108.4	Q371	P369-Q371 PolarHBondContact O-N 3Å; P369-Q371 VanDerWaalsContact O-N 3.12Å
370	P	33.3	Very low	40.6	Very low	121 Å²	121	123.7 Å²	123.7	79%	0.786	69%	0.694	S	S	*	*			trans	-56.4	124.1	176.1	23.1	-30.6	0	0	0	107.8	Q372	P370-Q372 VanDerWaalsContact C-N 3.33Å; P370-Q372 PolarHBondContact O-N 3.2Å
371	Q	33.6	Very low	38.4	Very low	174 Å²	174	123 Å²	123	81%	0.813	70%	0.7	S	S	*	*			trans	-60.6	109.6	160.1	-76.9	-176.2	-22	0	0	105.2	P369 E373	P369-Q371 PolarHBondContact O-N 3Å; P369-Q371 VanDerWaalsContact O-N 3.12Å; Q371-E373 PolarHBondContact O-N 3.14Å
372	Q	35.4	Very low	36.6	Very low	178 Å²	178	127.9 Å²	127.9	83%	0.832	72%	0.719	S	S	*	*			trans	-69.7	72.1	173.9	-160.8	168.1	7.9	0	0	106.6	P370 N374	P370-Q372 VanDerWaalsContact C-N 3.33Å; P370-Q372 PolarHBondContact O-N 3.2Å; Q372-N374 PolarHBondContact O-N 3.27Å; Q372-N374 VanDerWaalsContact O-N 3.11Å
373	E	32.8	Very low	34.9	Very low	160 Å²	160	128.8 Å²	128.8	75%	0.748	74%	0.737	S	S	*	*			trans	-66.5	107.5	160.4	-73.7	-169	166.6	0	0	105.3	Q371 C375	Q371-E373 PolarHBondContact O-N 3.14Å; E373-C375 PolarHBondContact O-N 3.33Å
374	N	31.5	Very low	33.9	Very low	100 Å²	100	130.9 Å²	130.9	54%	0.535	74%	0.738	S	S	.	*			trans	-51.3	106.2	171.8	-85.6	-20.2	0	0	0	108.3	Q372 D376 D377	Q372-N374 PolarHBondContact O-N 3.27Å; Q372-N374 VanDerWaalsContact O-N 3.11Å; N374-D376 PolarHBondContact O-N 2.97Å; N374-D377 PolarHBondContact O-N 3.23Å
375	C	33.1	Very low	33	Very low	114 Å²	114	131.5 Å²	131.5	77%	0.77	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	15.3	168.4	-166.4	0	0	0	0	112	E373	E373-C375 PolarHBondContact O-N 3.33Å
376	D	32.7	Very low	32.6	Very low	134 Å²	134	132.4 Å²	132.4	72%	0.717	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-15.5	171.5	-75.7	-24.8	0	0	0	112.3	N374	N374-D376 PolarHBondContact O-N 2.97Å
377	D	33.4	Very low	32.1	Very low	135 Å²	135	127.5 Å²	127.5	72%	0.722	71%	0.711	S	S	*	*	S	Bend	trans	-100.8	2.1	-171.5	-80.6	-31.4	0	0	0	116	N374	N374-D377 PolarHBondContact O-N 3.23Å
378	L	34.3	Very low	32	Very low	121 Å²	121	123 Å²	123	63%	0.634	70%	0.7	S	S	*	*	S	Bend	trans	-108.7	18.7	-173.4	-76	173.8	0	0	0	116.5
379	L	32.7	Very low	32	Very low	111 Å²	111	127.7 Å²	127.7	58%	0.581	71%	0.71	S	S	*	*	S	Bend	trans	-135.3	148.2	165.5	-74.4	168.5	0	0	0	109.6	P205 T381	P205-L379 HydrophobicContact CB-CD1 4.38Å; P205-L379 HydrophobicContact CG-CD1 4.29Å; P205-L379 HydrophobicContact CG-CD2 4.37Å; L379-T381 PolarHBondContact O-N 3.42Å; L379-T381 VanDerWaalsContact O-N 3.15Å
380	P	28	Very low	32.2	Very low	113 Å²	113	128.7 Å²	128.7	73%	0.734	71%	0.708	S	S	*	*			trans	-52.7	130.7	164.7	-4.7	15.8	0	0	0	106	E382	P380-E382 PolarHBondContact O-N 2.78Å
381	T	27.4	Very low	32.4	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	71%	0.71	S	S	*	*			trans	-51.3	94	167.6	-35.3	0	0	0	0	106.4	L379 G383	L379-T381 PolarHBondContact O-N 3.42Å; L379-T381 VanDerWaalsContact O-N 3.15Å; T381-G383 VanDerWaalsContact C-N 3.33Å; T381-G383 PolarHBondContact O-N 3.04Å
382	E	34.8	Very low	32.8	Very low	168 Å²	168	130.2 Å²	130.2	79%	0.785	70%	0.702	S	S	*	*			trans	-56.5	113.5	162.9	-83.3	-160.1	166.1	0	0	102.5	P380 Q384	P380-E382 PolarHBondContact O-N 2.78Å; E382-Q384 PolarHBondContact O-N 3.37Å
383	G	32.3	Very low	33.2	Very low	68 Å²	68	128.6 Å²	128.6	70%	0.701	70%	0.704	S	S	*	*			trans	-54.3	87.3	-175.1	0	0	0	0	0	109.9	T381 E385	T381-G383 VanDerWaalsContact C-N 3.33Å; T381-G383 PolarHBondContact O-N 3.04Å; G383-E385 PolarHBondContact O-N 3.41Å
384	Q	31.1	Very low	34.4	Very low	173 Å²	173	122.5 Å²	122.5	81%	0.808	68%	0.684	S	S	*	*			trans	-60.8	71.7	137.6	-95	-175.1	-12.2	0	0	105.5	E382 V386	E382-Q384 PolarHBondContact O-N 3.37Å; Q384-V386 HydrophobicContact CB-CG2 4.07Å; Q384-V386 HydrophobicContact CG-CG2 4.03Å; Q384-V386 PolarHBondContact O-N 2.93Å
385	E	28	Very low	36.5	Very low	121 Å²	121	119.4 Å²	119.4	57%	0.565	68%	0.676	S	S	*	*			trans	-62.3	74.9	133	-75.2	-154.7	151.3	0	0	106.2	G383 T387 K587	G383-E385 PolarHBondContact O-N 3.41Å; E385-T387 HydrophobicContact CB-CG2 4.13Å; E385-T387 HydrophobicContact CG-CG2 4.47Å; E385-T387 PolarHBondContact O-N 3.07Å; E385-K587 WeakPolarHBondContact OE1-CE 3.11Å; E385-K587 IonicContact OE1-NZ 3.23Å; E385-K587 PolarHBondContact OE1-NZ 2.92Å; E385-K587 WeakPolarHBondContact OE2-CE 3.34Å; E385-K587 IonicContact OE2-NZ 3.12Å
386	V	31.4	Very low	39.1	Very low	107 Å²	107	114.3 Å²	114.3	65%	0.648	64%	0.641	S	S	*	*			trans	-65.6	71.7	138.5	-173.6	0	0	0	0	103.8	Q384 P388	Q384-V386 HydrophobicContact CB-CG2 4.07Å; Q384-V386 HydrophobicContact CG-CG2 4.03Å; Q384-V386 PolarHBondContact O-N 2.93Å; V386-P388 WeakPolarHBondContact O-CD 3.21Å
387	T	28.3	Very low	41.7	Very low	75 Å²	75	114.8 Å²	114.8	46%	0.46	63%	0.633	S	S	.	*			trans	-58.4	123.6	158.6	34.1	0	0	0	0	103.3	E385 N389	E385-T387 HydrophobicContact CB-CG2 4.13Å; E385-T387 HydrophobicContact CG-CG2 4.47Å; E385-T387 PolarHBondContact O-N 3.07Å; T387-N389 PolarHBondContact O-N 3.33Å
388	P	32.3	Very low	44.5	Very low	88 Å²	88	112.5 Å²	112.5	57%	0.571	63%	0.626	S	S	*	*			trans	-48.2	143.6	162.7	-16.7	27.9	0	0	0	105.9	V386 L390	V386-P388 WeakPolarHBondContact O-CD 3.21Å; P388-L390 HydrophobicContact CB-CD1 4.23Å; P388-L390 HydrophobicContact CB-CG 4.32Å; P388-L390 HydrophobicContact CG-CD1 4.19Å; P388-L390 PolarHBondContact O-N 3.19Å
389	N	35.1	Very low	47.2	Very low	165 Å²	165	107.1 Å²	107.1	88%	0.882	60%	0.598	S	S	*	*			trans	-61.2	68.2	160.5	-91.8	-37.7	0	0	0	108.2	T387 H391	T387-N389 PolarHBondContact O-N 3.33Å; N389-H391 VanDerWaalsContact C-N 3.31Å; N389-H391 PolarHBondContact O-N 3.31Å; N389-H391 VanDerWaalsContact O-N 3.09Å
390	L	34.4	Very low	50.1	Low	140 Å²	140	103.2 Å²	103.2	73%	0.733	58%	0.577	S	S	*	*			trans	-68.4	101.3	159.3	-87.9	147.8	0	0	0	103	P388 F392	P388-L390 HydrophobicContact CB-CD1 4.23Å; P388-L390 HydrophobicContact CB-CG 4.32Å; P388-L390 HydrophobicContact CG-CD1 4.19Å; P388-L390 PolarHBondContact O-N 3.19Å; L390-F392 PolarHBondContact O-N 3.49Å
391	H	37.2	Very low	53.2	Low	180 Å²	180	101.2 Å²	101.2	83%	0.833	56%	0.562	S	S	*	*			trans	-48.8	94.9	159.9	-89.7	-97.2	0	0	0	107.6	N389 V393	N389-H391 VanDerWaalsContact C-N 3.31Å; N389-H391 PolarHBondContact O-N 3.31Å; N389-H391 VanDerWaalsContact O-N 3.09Å; H391-V393 PolarHBondContact O-N 3.41Å
392	F	43.4	Very low	56.3	Low	147 Å²	147	98 Å²	98	65%	0.645	54%	0.537	S	S	*	.			trans	-74.9	117.8	178.4	179.2	-105.3	0	0	0	108.3	L390 G394 I591	L390-F392 PolarHBondContact O-N 3.49Å; F392-G394 VanDerWaalsContact CE1-CA 3.46Å; F392-G394 PolarHBondContact O-N 2.88Å; F392-I591 HydrophobicContact CD1-CD1 4.23Å; F392-I591 HydrophobicContact CE1-CD1 3.96Å
393	V	42.5	Very low	59.2	Low	144 Å²	144	90 Å²	90	87%	0.873	50%	0.499	S	S	*	.			trans	-89.8	86.7	173.8	-177.8	0	0	0	0	107.3	H391	H391-V393 PolarHBondContact O-N 3.41Å
394	G	58.6	Low	62.1	Low	33 Å²	33	92.8 Å²	92.8	34%	0.34	49%	0.492	S	S	.	.			trans	-167.7	137.4	173.1	0	0	0	0	0	111.4	F392	F392-G394 VanDerWaalsContact CE1-CA 3.46Å; F392-G394 PolarHBondContact O-N 2.88Å
395	G	76.6	Confident	65.1	Low	34 Å²	34	91.6 Å²	91.6	35%	0.351	49%	0.487	S	S	.	.			trans	-84.7	179.1	179.9	0	0	0	0	0	113.1	R397 P398	G395-R397 PolarHBondContact O-N 3.11Å; G395-P398 WeakPolarHBondContact O-CD 3.44Å
396	P	87.4	Confident	68.3	Low	7 Å²	7	90.1 Å²	90.1	5%	0.045	48%	0.483	C	S	.	.	S	Bend	trans	-76.5	-12.2	179.9	33	-34.9	0	0	0	112.4	T399 M400 I591 F595 I610	P396-T399 PolarHBondContact O-N 3.43Å; P396-M400 HydrophobicContact CB-SD 4.18Å; P396-M400 HydrophobicContact CG-SD 4.41Å; P396-M400 VanDerWaalsContact O-CG 3.28Å; P396-M400 WeakPolarHBondContact O-CG 3.42Å; P396-M400 PolarHBondContact O-N 3.22Å; P396-I591 HydrophobicContact CB-CG2 4.49Å; P396-F595 HydrophobicContact CB-CB 3.93Å; P396-F595 HydrophobicContact CB-CD1 4.29Å; P396-F595 HydrophobicContact CB-CD2 3.88Å; P396-F595 HydrophobicContact CB-CG 3.77Å; P396-F595 VanDerWaalsContact CD-CE1 3.49Å; P396-F595 HydrophobicContact CG-CB 4Å; P396-F595 HydrophobicContact CG-CD1 3.61Å; P396-F595 HydrophobicContact CG-CD2 4.08Å; P396-F595 HydrophobicContact CG-CE1 4.1Å; P396-F595 HydrophobicContact CG-CG 3.62Å; P396-I610 HydrophobicContact CG-CG2 3.46Å; P396-I610 VanDerWaalsContact CG-CG2 3.46Å
397	R	87.8	Confident	71.3	Confident	144 Å²	144	88 Å²	88	54%	0.543	48%	0.483	S	S	.	.	H	α-helix	trans	-56.9	-47.4	-174.2	-67.4	-177.5	-179.5	164.1	-1.7	113.2	G395 T399 M400 T401 E606	G395-R397 PolarHBondContact O-N 3.11Å; R397-T399 VanDerWaalsContact C-N 3.34Å; R397-T399 PolarHBondContact O-N 2.98Å; R397-M400 PolarHBondContact O-N 2.83Å; R397-T401 WeakPolarHBondContact O-CB 3.39Å; R397-T401 PolarHBondContact O-N 3.27Å; R397-T401 PolarHBondContact O-OG1 3.09Å; R397-E606 IonicContact CZ-OE1 3.14Å; R397-E606 IonicContact NH2-OE1 3.94Å; R397-E606 PolarHBondContact NH2-OE1 3.46Å
398	P	90.7	Very high	74.4	Confident	88 Å²	88	84.6 Å²	84.6	57%	0.571	46%	0.462	S	S	*	.	H	α-helix	trans	-60	-43.7	177.9	-22.3	35.3	0	0	0	112.1	G395 M400 T401 K402	G395-P398 WeakPolarHBondContact O-CD 3.44Å; P398-M400 PolarHBondContact O-N 2.97Å; P398-T401 PolarHBondContact O-N 3.26Å; P398-K402 WeakPolarHBondContact O-CB 3.32Å; P398-K402 PolarHBondContact O-N 3.46Å
399	T	91.9	Very high	77.2	Confident	7 Å²	7	85.4 Å²	85.4	4%	0.043	46%	0.458	C	S	.	.	H	α-helix	trans	-63.8	-42.4	177.7	-49.5	0	0	0	0	111.8	P396 R397 K402 L403 L584 E588 L592	P396-T399 PolarHBondContact O-N 3.43Å; R397-T399 VanDerWaalsContact C-N 3.34Å; R397-T399 PolarHBondContact O-N 2.98Å; T399-K402 PolarHBondContact O-N 2.94Å; T399-L403 WeakPolarHBondContact O-CG 3.43Å; T399-L403 PolarHBondContact O-N 3.17Å; T399-L403 VanDerWaalsContact O-N 3.07Å; T399-L584 HydrophobicContact CG2-CD1 3.86Å; T399-L584 HydrophobicContact CG2-CD2 3.76Å; T399-L584 HydrophobicContact CG2-CG 4.5Å; T399-E588 HydrophobicContact CG2-CB 3.97Å; T399-L592 HydrophobicContact CG2-CD1 3.94Å; T399-L592 HydrophobicContact CG2-CD2 3.9Å; T399-L592 HydrophobicContact CG2-CG 3.75Å
400	M	92.6	Very high	79.7	Confident	30 Å²	30	79 Å²	79	15%	0.148	43%	0.428	C	S	.	.	H	α-helix	trans	-67.2	-39.7	176.3	-68.3	174.9	67	0	0	112.5	P396 R397 P398 L403 K404 L592 I610 R613 L617	P396-M400 HydrophobicContact CB-SD 4.18Å; P396-M400 HydrophobicContact CG-SD 4.41Å; P396-M400 VanDerWaalsContact O-CG 3.28Å; P396-M400 WeakPolarHBondContact O-CG 3.42Å; P396-M400 PolarHBondContact O-N 3.22Å; R397-M400 PolarHBondContact O-N 2.83Å; P398-M400 PolarHBondContact O-N 2.97Å; M400-L403 PolarHBondContact O-N 2.95Å; M400-K404 WeakPolarHBondContact O-CB 3.22Å; M400-K404 PolarHBondContact O-N 2.95Å; M400-L592 HydrophobicContact CG-CD2 3.92Å; M400-I610 HydrophobicContact SD-CG2 4.23Å; M400-R613 HydrophobicContact CE-CB 3.52Å; M400-R613 HydrophobicContact CE-CG 4.26Å; M400-L617 HydrophobicContact CG-CD1 4.01Å
401	T	93.1	Very high	82.1	Confident	70 Å²	70	77 Å²	77	43%	0.429	42%	0.422	S	S	.	.	H	α-helix	trans	-63.4	-45.4	175.8	-61.6	0	0	0	0	110.5	R397 P398 L403 K404 E405	R397-T401 WeakPolarHBondContact O-CB 3.39Å; R397-T401 PolarHBondContact O-N 3.27Å; R397-T401 PolarHBondContact O-OG1 3.09Å; P398-T401 PolarHBondContact O-N 3.26Å; T401-L403 VanDerWaalsContact C-N 3.34Å; T401-L403 PolarHBondContact O-N 3.29Å; T401-K404 WeakPolarHBondContact O-CB 3.5Å; T401-K404 PolarHBondContact O-N 3.02Å; T401-K404 VanDerWaalsContact O-N 3.11Å; T401-E405 HydrophobicContact CG2-CG 4.32Å; T401-E405 WeakPolarHBondContact CG2-OE1 3.34Å; T401-E405 WeakPolarHBondContact O-CG 3.29Å; T401-E405 PolarHBondContact O-N 3.26Å
402	K	93.2	Very high	84.7	Confident	68 Å²	68	71.6 Å²	71.6	30%	0.296	40%	0.396	S	S	.	.	H	α-helix	trans	-57.7	-45	176.3	-171.7	-175.7	-173.2	-164.4	0	112.2	P398 T399 E405 N406 T583 L584 E588	P398-K402 WeakPolarHBondContact O-CB 3.32Å; P398-K402 PolarHBondContact O-N 3.46Å; T399-K402 PolarHBondContact O-N 2.94Å; K402-E405 PolarHBondContact O-N 3.27Å; K402-N406 PolarHBondContact O-N 2.95Å; K402-N406 PolarHBondContact O-ND2 2.96Å; K402-T583 WeakPolarHBondContact CE-O 3.41Å; K402-T583 HydrophobicContact CG-CG2 4.29Å; K402-T583 PolarHBondContact NZ-O 2.93Å; K402-L584 HydrophobicContact CD-CD2 3.99Å; K402-E588 IonicContact NZ-OE1 3.17Å; K402-E588 PolarHBondContact NZ-OE1 3.3Å; K402-E588 IonicContact NZ-OE2 3.42Å; K402-E588 PolarHBondContact NZ-OE2 3.18Å; K402-E588 VanDerWaalsContact NZ-OE2 3.09Å
403	L	94.8	Very high	86.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.3	-46.4	174.2	-76.7	173.3	0	0	0	111.6	T399 M400 T401 E405 N406 G407 I408 F580 T583 L584 L592 L617	T399-L403 WeakPolarHBondContact O-CG 3.43Å; T399-L403 PolarHBondContact O-N 3.17Å; T399-L403 VanDerWaalsContact O-N 3.07Å; M400-L403 PolarHBondContact O-N 2.95Å; T401-L403 VanDerWaalsContact C-N 3.34Å; T401-L403 PolarHBondContact O-N 3.29Å; L403-E405 PolarHBondContact O-N 3.08Å; L403-N406 CarbonylContact O-C 3.6Å; L403-N406 WeakPolarHBondContact O-CA 3.28Å; L403-N406 PolarHBondContact O-N 2.73Å; L403-N406 VanDerWaalsContact O-N 3.09Å; L403-G407 PolarHBondContact O-N 2.98Å; L403-I408 CarbonylContact C-O 3.57Å; L403-I408 HydrophobicContact CB-CB 4.12Å; L403-I408 HydrophobicContact CB-CG2 4.46Å; L403-I408 HydrophobicContact CD2-CB 4.04Å; L403-I408 HydrophobicContact CD2-CD1 3.74Å; L403-I408 HydrophobicContact CD2-CG1 4.47Å; L403-I408 HydrophobicContact CD2-CG2 4.01Å; L403-I408 WeakPolarHBondContact O-CB 3.43Å; L403-I408 PolarHBondContact O-N 3.49Å; L403-F580 HydrophobicContact CD1-CE1 3.94Å; L403-F580 HydrophobicContact CD2-CD1 3.94Å; L403-F580 HydrophobicContact CD2-CE1 3.83Å; L403-F580 HydrophobicContact CD2-CZ 4.37Å; L403-T583 HydrophobicContact CD2-CG2 3.96Å; L403-L584 HydrophobicContact CD1-CD1 3.97Å; L403-L584 HydrophobicContact CD2-CD1 3.81Å; L403-L584 HydrophobicContact CD2-CD2 4.18Å; L403-L584 HydrophobicContact CD2-CG 3.8Å; L403-L584 HydrophobicContact CG-CD1 4Å; L403-L584 HydrophobicContact CG-CD2 4.18Å; L403-L584 HydrophobicContact CG-CG 4.23Å; L403-L592 HydrophobicContact CD1-CD1 3.65Å; L403-L617 HydrophobicContact CD1-CD1 3.74Å; L403-L617 HydrophobicContact CD1-CD2 4.07Å; L403-L617 HydrophobicContact CD1-CG 4.32Å
404	K	94.2	Very high	89.1	Confident	127 Å²	127	65 Å²	65	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-61	-43.4	178.9	-172.5	178.1	-176.7	-176.2	0	112.6	M400 T401 N406 G407 I408 E409	M400-K404 WeakPolarHBondContact O-CB 3.22Å; M400-K404 PolarHBondContact O-N 2.95Å; T401-K404 WeakPolarHBondContact O-CB 3.5Å; T401-K404 PolarHBondContact O-N 3.02Å; T401-K404 VanDerWaalsContact O-N 3.11Å; K404-N406 PolarHBondContact O-N 2.8Å; K404-G407 PolarHBondContact O-N 3.31Å; K404-I408 PolarHBondContact N-O 3.2Å; K404-E409 WeakPolarHBondContact CE-OE1 3.29Å; K404-E409 HydrophobicContact CG-CG 4.12Å; K404-E409 WeakPolarHBondContact CG-OE1 3.48Å
405	E	94.6	Very high	90.5	Very high	149 Å²	149	64.2 Å²	64.2	70%	0.696	36%	0.359	S	S	*	.	H	α-helix	trans	-62	-25.3	176.5	-73.1	170	173.3	0	0	112.5	T401 K402 L403	T401-E405 HydrophobicContact CG2-CG 4.32Å; T401-E405 WeakPolarHBondContact CG2-OE1 3.34Å; T401-E405 WeakPolarHBondContact O-CG 3.29Å; T401-E405 PolarHBondContact O-N 3.26Å; K402-E405 PolarHBondContact O-N 3.27Å; L403-E405 PolarHBondContact O-N 3.08Å
406	N	94.4	Very high	91	Very high	89 Å²	89	66 Å²	66	48%	0.476	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	15.1	174.1	-70.8	-86.2	0	0	0	113	K402 L403 K404 I408 T583	K402-N406 PolarHBondContact O-N 2.95Å; K402-N406 PolarHBondContact O-ND2 2.96Å; L403-N406 CarbonylContact O-C 3.6Å; L403-N406 WeakPolarHBondContact O-CA 3.28Å; L403-N406 PolarHBondContact O-N 2.73Å; L403-N406 VanDerWaalsContact O-N 3.09Å; K404-N406 PolarHBondContact O-N 2.8Å; N406-I408 VanDerWaalsContact C-N 3.32Å; N406-I408 PolarHBondContact O-N 2.88Å; N406-T583 HydrophobicContact CB-CG2 3.94Å
407	G	93.4	Very high	90.9	Very high	64 Å²	64	67.1 Å²	67.1	66%	0.66	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	14	176	0	0	0	0	0	115.1	L403 K404	L403-G407 PolarHBondContact O-N 2.98Å; K404-G407 PolarHBondContact O-N 3.31Å
408	I	94.1	Very high	90.7	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.015	37%	0.372	C	S	.	.			trans	-99.6	108.3	-180	-55.2	173.1	0	0	0	109.3	L403 K404 N406 M579 F580 L617 L620 W624	L403-I408 CarbonylContact C-O 3.57Å; L403-I408 HydrophobicContact CB-CB 4.12Å; L403-I408 HydrophobicContact CB-CG2 4.46Å; L403-I408 HydrophobicContact CD2-CB 4.04Å; L403-I408 HydrophobicContact CD2-CD1 3.74Å; L403-I408 HydrophobicContact CD2-CG1 4.47Å; L403-I408 HydrophobicContact CD2-CG2 4.01Å; L403-I408 WeakPolarHBondContact O-CB 3.43Å; L403-I408 PolarHBondContact O-N 3.49Å; K404-I408 PolarHBondContact N-O 3.2Å; N406-I408 VanDerWaalsContact C-N 3.32Å; N406-I408 PolarHBondContact O-N 2.88Å; I408-M579 HydrophobicContact CD1-CB 4.29Å; I408-F580 HydrophobicContact CD1-CD2 4.26Å; I408-F580 HydrophobicContact CD1-CE2 4.44Å; I408-F580 HydrophobicContact CG2-CD2 4.33Å; I408-F580 HydrophobicContact CG2-CE1 4.33Å; I408-F580 HydrophobicContact CG2-CE2 3.48Å; I408-F580 VanDerWaalsContact CG2-CE2 3.48Å; I408-F580 HydrophobicContact CG2-CZ 3.48Å; I408-F580 VanDerWaalsContact CG2-CZ 3.48Å; I408-L617 HydrophobicContact CG2-CD2 4.26Å; I408-L620 HydrophobicContact CG2-CD2 4.15Å; I408-W624 HydrophobicContact CB-CH2 4.44Å; I408-W624 HydrophobicContact CD1-CZ3 4.28Å; I408-W624 HydrophobicContact CG1-CH2 4.1Å; I408-W624 HydrophobicContact CG1-CZ3 4.04Å; I408-W624 HydrophobicContact CG2-CH2 3.98Å; I408-W624 HydrophobicContact CG2-CZ3 3.99Å
409	E	91.5	Very high	90.3	Very high	105 Å²	105	63.4 Å²	63.4	49%	0.491	38%	0.38	S	S	.	.			trans	-127.3	148.4	177.6	-65.9	-164.8	-159.6	0	0	111.6	K404 V411 L620	K404-E409 WeakPolarHBondContact CE-OE1 3.29Å; K404-E409 HydrophobicContact CG-CG 4.12Å; K404-E409 WeakPolarHBondContact CG-OE1 3.48Å; E409-V411 PolarHBondContact O-N 3.32Å; E409-V411 VanDerWaalsContact O-N 3.14Å; E409-L620 WeakPolarHBondContact O-CD2 3.45Å
410	A	87.4	Confident	90.3	Very high	31 Å²	31	67.4 Å²	67.4	26%	0.256	39%	0.394	S	S	.	.			trans	-68.9	110.4	176.3	0	0	0	0	0	110.4	F412 L617	A410-F412 HydrophobicContact CB-CE2 4.23Å; A410-L617 HydrophobicContact CB-CD2 4.24Å; A410-L617 HydrophobicContact CB-CG 4.19Å
411	V	84.9	Confident	90.2	Very high	98 Å²	98	69.8 Å²	69.8	59%	0.594	41%	0.41	S	S	*	.			trans	-107.1	135.1	176.4	-177.6	0	0	0	0	109.5	E409	E409-V411 PolarHBondContact O-N 3.32Å; E409-V411 VanDerWaalsContact O-N 3.14Å
412	F	90.9	Very high	90	Very high	66 Å²	66	66.8 Å²	66.8	29%	0.289	39%	0.391	S	S	.	.			trans	-119	126.2	175	-61.6	-84.7	0	0	0	110	A410 V635	A410-F412 HydrophobicContact CB-CE2 4.23Å; F412-V635 CarbonylContact C-O 3.5Å; F412-V635 VanDerWaalsContact CA-O 3.28Å; F412-V635 WeakPolarHBondContact CA-O 3.43Å; F412-V635 HydrophobicContact CD1-CG1 4.02Å; F412-V635 HydrophobicContact CE1-CG1 4.06Å
413	S	91.1	Very high	89.9	Confident	37 Å²	37	66.9 Å²	66.9	26%	0.259	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-72.2	147.3	169.4	-55.4	0	0	0	0	110.4	V635 M636	S413-V635 PolarHBondContact N-O 3.09Å; S413-M636 WeakPolarHBondContact O-CB 3.23Å
414	P	88.9	Confident	89.6	Confident	115 Å²	115	68.1 Å²	68.1	75%	0.747	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-64.2	145.8	173.3	28.1	-34.1	0	0	0	110.6
415	H	87.6	Confident	89.2	Confident	17 Å²	17	70.1 Å²	70.1	8%	0.079	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-67.3	127.2	173.9	-165.6	-74.9	0	0	0	109.2	C417 P418 N452 E639	H415-C417 VanDerWaalsContact C-N 3.3Å; H415-C417 PolarHBondContact CE1-SG 3.17Å; H415-C417 VanDerWaalsContact ND1-C 3.31Å; H415-C417 PolarHBondContact ND1-N 3.46Å; H415-C417 VanDerWaalsContact ND1-N 3.19Å; H415-C417 PolarHBondContact ND1-O 2.9Å; H415-C417 PolarHBondContact O-N 2.83Å; H415-P418 HydrophobicContact CB-CB 4.47Å; H415-P418 WeakPolarHBondContact O-CD 3.39Å; H415-N452 PolarHBondContact CD2-OD1 2.93Å; H415-N452 VanDerWaalsContact CD2-OD1 3.23Å; H415-N452 PolarHBondContact NE2-OD1 3.46Å; H415-E639 HydrophobicContact CB-CG 3.89Å
416	P	86.6	Confident	88.8	Confident	70 Å²	70	73.5 Å²	73.5	46%	0.455	43%	0.427	S	S	.	.	S	Bend	trans	-71	-25.1	-172.9	23.5	-29.9	0	0	0	113.4	M456	P416-M456 HydrophobicContact CG-CE 3.33Å; P416-M456 HydrophobicContact CG-SD 3.52Å; P416-M456 VanDerWaalsContact CG-SD 3.52Å
417	C	85.7	Confident	88.4	Confident	32 Å²	32	70.4 Å²	70.4	22%	0.216	41%	0.41	C	S	.	.			trans	-135.2	61.7	-176.4	43.4	0	0	0	0	112.7	H415 G419 W420 A455 M456	H415-C417 VanDerWaalsContact C-N 3.3Å; H415-C417 PolarHBondContact CE1-SG 3.17Å; H415-C417 VanDerWaalsContact ND1-C 3.31Å; H415-C417 PolarHBondContact ND1-N 3.46Å; H415-C417 VanDerWaalsContact ND1-N 3.19Å; H415-C417 PolarHBondContact ND1-O 2.9Å; H415-C417 PolarHBondContact O-N 2.83Å; C417-G419 VanDerWaalsContact C-N 3.29Å; C417-G419 PolarHBondContact O-N 3.09Å; C417-W420 HydrophobicContact CB-CB 4.01Å; C417-W420 WeakPolarHBondContact O-CB 3.18Å; C417-W420 PolarHBondContact O-N 3.24Å; C417-A455 WeakPolarHBondContact SG-CB 3.36Å; C417-M456 VanDerWaalsContact SG-SD 3.69Å
418	P	82.1	Confident	88	Confident	82 Å²	82	69.9 Å²	69.9	53%	0.532	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.6	-168.2	29.3	-35.3	0	0	0	114.2	H415 E639	H415-P418 HydrophobicContact CB-CB 4.47Å; H415-P418 WeakPolarHBondContact O-CD 3.39Å; P418-E639 HydrophobicContact CB-CB 4.14Å; P418-E639 HydrophobicContact CB-CG 3.97Å
419	G	83.5	Confident	87.3	Confident	72 Å²	72	72.7 Å²	72.7	74%	0.742	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-0.4	177.3	0	0	0	0	0	114.5	C417	C417-G419 VanDerWaalsContact C-N 3.29Å; C417-G419 PolarHBondContact O-N 3.09Å
420	W	91.6	Very high	86.8	Confident	91 Å²	91	68.2 Å²	68.2	35%	0.345	40%	0.4	S	S	.	.			trans	-71.6	134.2	-176.5	-173.7	95.7	0	0	0	110.9	C417 L422 N451 A454 A455	C417-W420 HydrophobicContact CB-CB 4.01Å; C417-W420 WeakPolarHBondContact O-CB 3.18Å; C417-W420 PolarHBondContact O-N 3.24Å; W420-L422 HydrophobicContact CH2-CD1 4.48Å; W420-L422 HydrophobicContact CH2-CD2 3.57Å; W420-L422 HydrophobicContact CH2-CG 3.65Å; W420-L422 HydrophobicContact CZ2-CD2 4.27Å; W420-L422 HydrophobicContact CZ3-CD1 4.46Å; W420-L422 HydrophobicContact CZ3-CD2 4.25Å; W420-L422 HydrophobicContact CZ3-CG 3.8Å; W420-N451 HydrophobicContact CE3-CB 4.33Å; W420-N451 VanDerWaalsContact CE3-O 3.31Å; W420-N451 HydrophobicContact CZ3-CB 4.41Å; W420-N451 WeakPolarHBondContact CZ3-O 3.49Å; W420-A454 HydrophobicContact CH2-CB 3.74Å; W420-A454 HydrophobicContact CZ3-CB 3.83Å; W420-A455 HydrophobicContact CB-CB 4.23Å; W420-A455 HydrophobicContact CD2-CB 3.64Å; W420-A455 HydrophobicContact CE3-CB 3.43Å; W420-A455 VanDerWaalsContact CE3-CB 3.43Å; W420-A455 HydrophobicContact CG-CB 4.02Å; W420-A455 HydrophobicContact CZ3-CB 3.93Å
421	T	91.1	Very high	86.6	Confident	79 Å²	79	66.7 Å²	66.7	49%	0.485	39%	0.387	S	S	.	.			trans	-141.3	146.6	176.5	-174.3	0	0	0	0	111.1	N451	T421-N451 WeakPolarHBondContact CB-ND2 3.44Å; T421-N451 PolarHBondContact OG1-ND2 2.96Å
422	L	89.3	Confident	86.4	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.037	37%	0.368	C	S	.	.			trans	-66.4	149.9	165.5	-70.8	159.6	0	0	0	110.4	W420 W424 L427 N451 A454 V480 T484	W420-L422 HydrophobicContact CH2-CD1 4.48Å; W420-L422 HydrophobicContact CH2-CD2 3.57Å; W420-L422 HydrophobicContact CH2-CG 3.65Å; W420-L422 HydrophobicContact CZ2-CD2 4.27Å; W420-L422 HydrophobicContact CZ3-CD1 4.46Å; W420-L422 HydrophobicContact CZ3-CD2 4.25Å; W420-L422 HydrophobicContact CZ3-CG 3.8Å; L422-W424 HydrophobicContact CB-CD2 4.19Å; L422-W424 HydrophobicContact CB-CG 4.46Å; L422-W424 HydrophobicContact CB-CZ2 4.09Å; L422-W424 HydrophobicContact CD1-CH2 3.8Å; L422-W424 HydrophobicContact CD1-CZ2 3.58Å; L422-W424 HydrophobicContact CG-CZ2 4.43Å; L422-W424 PolarHBondContact O-N 3.28Å; L422-L427 HydrophobicContact CB-CD1 4.16Å; L422-N451 PolarHBondContact N-OD1 3.48Å; L422-N451 VanDerWaalsContact N-OD1 3.08Å; L422-A454 HydrophobicContact CD1-CB 4.15Å; L422-V480 HydrophobicContact CD1-CG1 3.4Å; L422-V480 VanDerWaalsContact CD1-CG1 3.4Å; L422-V480 HydrophobicContact CD2-CG1 4.33Å; L422-T484 HydrophobicContact CD2-CG2 3.66Å
423	P	89.7	Confident	85.7	Confident	71 Å²	71	60.5 Å²	60.5	46%	0.461	35%	0.354	S	S	.	.			trans	-76.9	66.8	175.8	33.6	-35.9	0	0	0	110	D425 R426 L427	P423-D425 PolarHBondContact O-N 2.99Å; P423-R426 HydrophobicContact CB-CB 4.36Å; P423-R426 HydrophobicContact CB-CG 4.47Å; P423-R426 PolarHBondContact O-N 2.9Å; P423-L427 PolarHBondContact O-N 2.86Å
424	W	89.1	Confident	84.6	Confident	26 Å²	26	61.7 Å²	61.7	10%	0.098	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.3	-172.2	-68.2	107.5	0	0	0	114.1	L422 R426 L427 M447 L450 N451 V480	L422-W424 HydrophobicContact CB-CD2 4.19Å; L422-W424 HydrophobicContact CB-CG 4.46Å; L422-W424 HydrophobicContact CB-CZ2 4.09Å; L422-W424 HydrophobicContact CD1-CH2 3.8Å; L422-W424 HydrophobicContact CD1-CZ2 3.58Å; L422-W424 HydrophobicContact CG-CZ2 4.43Å; L422-W424 PolarHBondContact O-N 3.28Å; W424-R426 VanDerWaalsContact C-N 3.27Å; W424-R426 PolarHBondContact O-N 3.34Å; W424-L427 HydrophobicContact CD2-CD1 4.35Å; W424-L427 HydrophobicContact CE3-CD1 3.8Å; W424-L427 HydrophobicContact CZ3-CD1 4.08Å; W424-L427 PolarHBondContact O-N 3.22Å; W424-M447 HydrophobicContact CB-CE 3.52Å; W424-M447 HydrophobicContact CD2-CB 4.27Å; W424-M447 HydrophobicContact CD2-CE 3.41Å; W424-M447 VanDerWaalsContact CD2-CE 3.41Å; W424-M447 HydrophobicContact CD2-CG 4.11Å; W424-M447 HydrophobicContact CE3-CE 3.93Å; W424-M447 HydrophobicContact CE3-CG 4.15Å; W424-M447 HydrophobicContact CG-CE 3.2Å; W424-M447 HydrophobicContact CH2-CB 4.26Å; W424-M447 HydrophobicContact CH2-CG 4.18Å; W424-M447 HydrophobicContact CZ2-CB 3.72Å; W424-M447 HydrophobicContact CZ2-CG 4.08Å; W424-M447 WeakPolarHBondContact CZ2-O 3.42Å; W424-M447 HydrophobicContact CZ3-CG 4.2Å; W424-L450 HydrophobicContact CH2-CB 3.93Å; W424-L450 HydrophobicContact CH2-CD1 3.72Å; W424-L450 HydrophobicContact CH2-CG 4.47Å; W424-L450 HydrophobicContact CZ2-CB 4.03Å; W424-N451 WeakPolarHBondContact CZ2-OD1 3.26Å; W424-N451 PolarHBondContact NE1-OD1 3.34Å; W424-V480 HydrophobicContact CH2-CG2 4.28Å; W424-V480 HydrophobicContact CZ3-CG2 4.49Å
425	D	85.4	Confident	83.2	Confident	168 Å²	168	61.2 Å²	61.2	90%	0.898	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.5	178.5	-54.7	-41.5	0	0	0	113.7	P423	P423-D425 PolarHBondContact O-N 2.99Å
426	R	85.7	Confident	81.7	Confident	221 Å²	221	62.7 Å²	62.7	83%	0.834	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-14	178.9	-58.6	-175.9	-175.2	178.9	1.9	112.6	P423 W424	P423-R426 HydrophobicContact CB-CB 4.36Å; P423-R426 HydrophobicContact CB-CG 4.47Å; P423-R426 PolarHBondContact O-N 2.9Å; W424-R426 VanDerWaalsContact C-N 3.27Å; W424-R426 PolarHBondContact O-N 3.34Å
427	L	86.8	Confident	80.5	Confident	24 Å²	24	69.7 Å²	69.7	13%	0.126	39%	0.391	C	S	.	.	S	Bend	trans	-75.5	140.8	-179.3	-68.5	178.7	0	0	0	110.3	L422 P423 W424 I431 H483	L422-L427 HydrophobicContact CB-CD1 4.16Å; P423-L427 PolarHBondContact O-N 2.86Å; W424-L427 HydrophobicContact CD2-CD1 4.35Å; W424-L427 HydrophobicContact CE3-CD1 3.8Å; W424-L427 HydrophobicContact CZ3-CD1 4.08Å; W424-L427 PolarHBondContact O-N 3.22Å; L427-I431 HydrophobicContact CD1-CG2 4.27Å; L427-I431 HydrophobicContact CD2-CD1 4.31Å; L427-H483 VanDerWaalsContact CD2-CD2 3.48Å; L427-H483 WeakPolarHBondContact CD2-CD2 3.46Å
428	P	84.7	Confident	80	Confident	53 Å²	53	69.7 Å²	69.7	34%	0.344	39%	0.388	S	S	.	.			trans	-53.8	144	172.6	-27	33.6	0	0	0	112.6	A430 I431 L510	P428-A430 PolarHBondContact O-N 2.98Å; P428-A430 VanDerWaalsContact O-N 3.15Å; P428-I431 HydrophobicContact CB-CG1 4.5Å; P428-I431 HydrophobicContact CG-CD1 4.35Å; P428-I431 WeakPolarHBondContact O-CB 3.44Å; P428-I431 PolarHBondContact O-N 3.26Å; P428-L510 HydrophobicContact CB-CD2 3.44Å; P428-L510 VanDerWaalsContact CB-CD2 3.44Å; P428-L510 HydrophobicContact CG-CD2 3.95Å
429	A	80.8	Confident	79.9	Confident	61 Å²	61	69.3 Å²	69.3	50%	0.504	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-55.2	-37.2	-176.1	0	0	0	0	0	113.2	I431 N432 E435	A429-I431 PolarHBondContact O-N 3.45Å; A429-I431 VanDerWaalsContact O-N 3.1Å; A429-N432 VanDerWaalsContact O-CB 3.3Å; A429-N432 WeakPolarHBondContact O-CB 3.41Å; A429-N432 PolarHBondContact O-N 2.98Å; A429-E435 VanDerWaalsContact C-OE1 3.23Å; A429-E435 WeakPolarHBondContact CB-OE1 3.37Å
430	A	79.9	Confident	79.9	Confident	11 Å²	11	71.9 Å²	71.9	9%	0.091	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-63.7	-16.7	178.3	0	0	0	0	0	114.7	P428 E435 R506 L510	P428-A430 PolarHBondContact O-N 2.98Å; P428-A430 VanDerWaalsContact O-N 3.15Å; A430-E435 WeakPolarHBondContact CA-OE2 3.41Å; A430-E435 PolarHBondContact N-OE1 3.04Å; A430-R506 VanDerWaalsContact O-CZ 3.3Å; A430-R506 PolarHBondContact O-NE 2.7Å; A430-R506 PolarHBondContact O-NH2 3.13Å; A430-L510 HydrophobicContact CB-CD1 4.21Å; A430-L510 HydrophobicContact CB-CD2 3.85Å; A430-L510 HydrophobicContact CB-CG 3.87Å
431	I	83.9	Confident	79.6	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-80.3	-32.5	171.4	-58.8	-175	0	0	0	110.7	L427 P428 A429 I479 V480 H483 R506 L510	L427-I431 HydrophobicContact CD1-CG2 4.27Å; L427-I431 HydrophobicContact CD2-CD1 4.31Å; P428-I431 HydrophobicContact CB-CG1 4.5Å; P428-I431 HydrophobicContact CG-CD1 4.35Å; P428-I431 WeakPolarHBondContact O-CB 3.44Å; P428-I431 PolarHBondContact O-N 3.26Å; A429-I431 PolarHBondContact O-N 3.45Å; A429-I431 VanDerWaalsContact O-N 3.1Å; I431-I479 HydrophobicContact CG1-CG2 4.22Å; I431-V480 HydrophobicContact CG2-CB 4.42Å; I431-V480 HydrophobicContact CG2-CG2 3.42Å; I431-V480 VanDerWaalsContact CG2-CG2 3.42Å; I431-H483 HydrophobicContact CD1-CB 3.67Å; I431-H483 VanDerWaalsContact CD1-CG 3.41Å; I431-R506 PolarHBondContact O-NH2 3.31Å; I431-R506 VanDerWaalsContact O-NH2 3.17Å; I431-L510 HydrophobicContact CD1-CD1 4.33Å; I431-L510 HydrophobicContact CD1-CD2 4.37Å; I431-L510 HydrophobicContact CG1-CD1 3.53Å; I431-L510 HydrophobicContact CG1-CD2 3.85Å; I431-L510 HydrophobicContact CG1-CG 4.37Å
432	N	79.6	Confident	79.3	Confident	33 Å²	33	77 Å²	77	18%	0.176	40%	0.402	C	S	.	.	S	Bend	trans	-69	129.3	-174.3	-163.8	-36.2	0	0	0	111.2	A429 T434 E435	A429-N432 VanDerWaalsContact O-CB 3.3Å; A429-N432 WeakPolarHBondContact O-CB 3.41Å; A429-N432 PolarHBondContact O-N 2.98Å; N432-T434 PolarHBondContact O-N 2.78Å; N432-T434 WeakPolarHBondContact OD1-CG2 3.41Å; N432-T434 PolarHBondContact OD1-N 3.11Å; N432-T434 PolarHBondContact OD1-OG1 3.23Å; N432-E435 PolarHBondContact O-N 2.97Å
433	P	77.6	Confident	79.1	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.006	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-56.3	-19.2	174.2	-25.2	33.5	0	0	0	115	E435 G436 M438 K446 M447 L450	P433-E435 PolarHBondContact O-N 2.68Å; P433-G436 PolarHBondContact O-N 2.92Å; P433-M438 HydrophobicContact CB-CE 3.95Å; P433-M438 HydrophobicContact CB-SD 4Å; P433-M438 WeakPolarHBondContact O-CG 3.46Å; P433-K446 HydrophobicContact CB-CB 4.07Å; P433-K446 HydrophobicContact CB-CG 3.88Å; P433-K446 HydrophobicContact CG-CB 4.08Å; P433-K446 HydrophobicContact CG-CG 3.71Å; P433-M447 HydrophobicContact CG-CG 4.07Å; P433-L450 HydrophobicContact CG-CD1 3.81Å
434	T	67	Low	79.2	Confident	62 Å²	62	76.9 Å²	76.9	38%	0.38	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-58.6	-29.5	179.7	46.9	0	0	0	0	114.1	N432 G436 A443	N432-T434 PolarHBondContact O-N 2.78Å; N432-T434 WeakPolarHBondContact OD1-CG2 3.41Å; N432-T434 PolarHBondContact OD1-N 3.11Å; N432-T434 PolarHBondContact OD1-OG1 3.23Å; T434-G436 PolarHBondContact O-N 3.41Å; T434-G436 VanDerWaalsContact O-N 3.16Å; T434-A443 HydrophobicContact CG2-CB 3.53Å
435	E	58.8	Low	79.3	Confident	104 Å²	104	79.6 Å²	79.6	49%	0.486	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-67.9	-12.4	175.6	-67.8	-166.5	173.6	0	0	113.4	A429 A430 N432 P433 K437	A429-E435 VanDerWaalsContact C-OE1 3.23Å; A429-E435 WeakPolarHBondContact CB-OE1 3.37Å; A430-E435 WeakPolarHBondContact CA-OE2 3.41Å; A430-E435 PolarHBondContact N-OE1 3.04Å; N432-E435 PolarHBondContact O-N 2.97Å; P433-E435 PolarHBondContact O-N 2.68Å; E435-K437 VanDerWaalsContact C-N 3.26Å; E435-K437 PolarHBondContact O-N 3.15Å
436	G	56.1	Low	79.6	Confident	48 Å²	48	72.8 Å²	72.8	50%	0.495	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-76.4	19.5	-173.5	0	0	0	0	0	117.3	P433 T434 M438	P433-G436 PolarHBondContact O-N 2.92Å; T434-G436 PolarHBondContact O-N 3.41Å; T434-G436 VanDerWaalsContact O-N 3.16Å; G436-M438 PolarHBondContact O-N 2.98Å
437	K	63.3	Low	79.9	Confident	218 Å²	218	63.7 Å²	63.7	95%	0.948	34%	0.34	S	S	*	.	S	Bend	trans	51.2	32.9	-170.9	-60.8	-173.9	177.5	-175.2	0	113.2	E435	E435-K437 VanDerWaalsContact C-N 3.26Å; E435-K437 PolarHBondContact O-N 3.15Å
438	M	75.1	Confident	80.3	Confident	32 Å²	32	64.7 Å²	64.7	16%	0.158	34%	0.344	C	S	.	.			trans	-106.6	149.9	-179.7	44.7	-165.8	-78.3	0	0	110.5	P433 G436 R442 A443 K446	P433-M438 HydrophobicContact CB-CE 3.95Å; P433-M438 HydrophobicContact CB-SD 4Å; P433-M438 WeakPolarHBondContact O-CG 3.46Å; G436-M438 PolarHBondContact O-N 2.98Å; M438-R442 HydrophobicContact CB-CB 4.41Å; M438-R442 HydrophobicContact CE-CB 4.1Å; M438-R442 HydrophobicContact CE-CG 3.74Å; M438-R442 VanDerWaalsContact CE-O 3.25Å; M438-R442 WeakPolarHBondContact CE-O 3.24Å; M438-A443 VanDerWaalsContact CE-CA 3.46Å; M438-A443 HydrophobicContact CE-CB 4.17Å; M438-K446 HydrophobicContact CE-CB 3.8Å; M438-K446 HydrophobicContact CE-CG 4.32Å
439	S	79.9	Confident	80.8	Confident	74 Å²	74	62.7 Å²	62.7	52%	0.517	33%	0.33	S	S	.	.			trans	-63	151.2	177.3	61.2	0	0	0	0	111.5	I441 R442 A443	S439-I441 VanDerWaalsContact C-N 3.26Å; S439-I441 PolarHBondContact O-N 3.07Å; S439-R442 CarbonylContact O-C 3.16Å; S439-R442 WeakPolarHBondContact O-CA 3.33Å; S439-R442 WeakPolarHBondContact O-CB 3.47Å; S439-R442 PolarHBondContact O-N 3.16Å; S439-A443 PolarHBondContact O-N 3Å
440	D	82.4	Confident	81.5	Confident	126 Å²	126	59.9 Å²	59.9	67%	0.674	31%	0.307	S	S	*	.	H	α-helix	trans	-55.1	-41.7	-177.2	-57.8	-32	0	0	0	112.2	R442 A443 V444	D440-R442 VanDerWaalsContact C-N 3.28Å; D440-R442 PolarHBondContact O-N 3.18Å; D440-A443 WeakPolarHBondContact O-CB 3.45Å; D440-A443 PolarHBondContact O-N 2.85Å; D440-A443 VanDerWaalsContact O-N 3.08Å; D440-V444 WeakPolarHBondContact O-CG2 3.43Å; D440-V444 PolarHBondContact O-N 3.31Å
441	I	84.6	Confident	82.2	Confident	124 Å²	124	60.2 Å²	60.2	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-61.9	-36.6	176	-62.5	161.2	0	0	0	111.7	S439 R445	S439-I441 VanDerWaalsContact C-N 3.26Å; S439-I441 PolarHBondContact O-N 3.07Å; I441-R445 WeakPolarHBondContact O-CB 3.31Å; I441-R445 WeakPolarHBondContact O-CG 3.33Å; I441-R445 PolarHBondContact O-N 3.05Å; I441-R445 PolarHBondContact O-NE 3.34Å; I441-R445 VanDerWaalsContact O-NE 3.17Å
442	R	85	Confident	82.7	Confident	153 Å²	153	60.4 Å²	60.4	58%	0.577	31%	0.308	S	S	*	.	H	α-helix	trans	-73.3	-34.6	176.4	-167.5	-177.9	171.2	150.8	-1	110.6	M438 S439 D440 K446	M438-R442 HydrophobicContact CB-CB 4.41Å; M438-R442 HydrophobicContact CE-CB 4.1Å; M438-R442 HydrophobicContact CE-CG 3.74Å; M438-R442 VanDerWaalsContact CE-O 3.25Å; M438-R442 WeakPolarHBondContact CE-O 3.24Å; S439-R442 CarbonylContact O-C 3.16Å; S439-R442 WeakPolarHBondContact O-CA 3.33Å; S439-R442 WeakPolarHBondContact O-CB 3.47Å; S439-R442 PolarHBondContact O-N 3.16Å; D440-R442 VanDerWaalsContact C-N 3.28Å; D440-R442 PolarHBondContact O-N 3.18Å; R442-K446 WeakPolarHBondContact O-CB 3.4Å; R442-K446 PolarHBondContact O-N 3.34Å
443	A	86.7	Confident	83.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-50.3	176.7	0	0	0	0	0	111.6	T434 M438 S439 D440 R445 K446 M447	T434-A443 HydrophobicContact CG2-CB 3.53Å; M438-A443 VanDerWaalsContact CE-CA 3.46Å; M438-A443 HydrophobicContact CE-CB 4.17Å; S439-A443 PolarHBondContact O-N 3Å; D440-A443 WeakPolarHBondContact O-CB 3.45Å; D440-A443 PolarHBondContact O-N 2.85Å; D440-A443 VanDerWaalsContact O-N 3.08Å; A443-R445 VanDerWaalsContact C-N 3.34Å; A443-R445 PolarHBondContact O-N 3.49Å; A443-K446 CarbonylContact O-C 3.54Å; A443-K446 WeakPolarHBondContact O-CA 3.35Å; A443-K446 WeakPolarHBondContact O-CB 3.46Å; A443-K446 PolarHBondContact O-N 2.91Å; A443-M447 WeakPolarHBondContact O-CG 3.33Å; A443-M447 PolarHBondContact O-N 3.39Å
444	V	90	Very high	84.4	Confident	75 Å²	75	59 Å²	59	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-56.6	-47.6	176.3	173.1	0	0	0	0	111.4	D440 K446 M447 Q448	D440-V444 WeakPolarHBondContact O-CG2 3.43Å; D440-V444 PolarHBondContact O-N 3.31Å; V444-K446 VanDerWaalsContact C-N 3.28Å; V444-K446 PolarHBondContact O-N 2.89Å; V444-M447 WeakPolarHBondContact O-CB 3.38Å; V444-M447 PolarHBondContact O-N 3.28Å; V444-Q448 WeakPolarHBondContact O-CG 3.38Å; V444-Q448 PolarHBondContact O-N 3.12Å
445	R	91.5	Very high	85.7	Confident	83 Å²	83	56.3 Å²	56.3	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-37.5	175.7	-80.9	-173.2	-63.2	170.6	0.5	113	I441 A443 Q449 C643	I441-R445 WeakPolarHBondContact O-CB 3.31Å; I441-R445 WeakPolarHBondContact O-CG 3.33Å; I441-R445 PolarHBondContact O-N 3.05Å; I441-R445 PolarHBondContact O-NE 3.34Å; I441-R445 VanDerWaalsContact O-NE 3.17Å; A443-R445 VanDerWaalsContact C-N 3.34Å; A443-R445 PolarHBondContact O-N 3.49Å; R445-Q449 WeakPolarHBondContact O-CG 3.5Å; R445-Q449 PolarHBondContact O-N 3.09Å; R445-Q449 VanDerWaalsContact O-N 3.09Å; R445-Q449 PolarHBondContact O-NE2 3.16Å; R445-Q449 VanDerWaalsContact O-NE2 3.1Å; R445-C643 VanDerWaalsContact CB-O 3.28Å; R445-C643 WeakPolarHBondContact CB-O 3.43Å
446	K	92.5	Very high	87.4	Confident	25 Å²	25	51.3 Å²	51.3	11%	0.109	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-44.5	176	-174.7	55.6	58.6	-168.9	0	110.6	P433 M438 R442 A443 V444 Q448 Q449 L450 L535 H536	P433-K446 HydrophobicContact CB-CB 4.07Å; P433-K446 HydrophobicContact CB-CG 3.88Å; P433-K446 HydrophobicContact CG-CB 4.08Å; P433-K446 HydrophobicContact CG-CG 3.71Å; M438-K446 HydrophobicContact CE-CB 3.8Å; M438-K446 HydrophobicContact CE-CG 4.32Å; R442-K446 WeakPolarHBondContact O-CB 3.4Å; R442-K446 PolarHBondContact O-N 3.34Å; A443-K446 CarbonylContact O-C 3.54Å; A443-K446 WeakPolarHBondContact O-CA 3.35Å; A443-K446 WeakPolarHBondContact O-CB 3.46Å; A443-K446 PolarHBondContact O-N 2.91Å; V444-K446 VanDerWaalsContact C-N 3.28Å; V444-K446 PolarHBondContact O-N 2.89Å; K446-Q448 VanDerWaalsContact C-N 3.3Å; K446-Q448 PolarHBondContact O-N 3.04Å; K446-Q449 WeakPolarHBondContact O-CB 3.46Å; K446-Q449 PolarHBondContact O-N 3.17Å; K446-Q449 VanDerWaalsContact O-N 3.15Å; K446-L450 HydrophobicContact CD-CG 4.42Å; K446-L450 HydrophobicContact CG-CD1 4.28Å; K446-L450 HydrophobicContact CG-CG 4.47Å; K446-L450 VanDerWaalsContact O-CG 3.26Å; K446-L450 WeakPolarHBondContact O-CG 3.25Å; K446-L450 PolarHBondContact O-N 3.03Å; K446-L535 HydrophobicContact CD-CD2 4.08Å; K446-H536 PolarHBondContact NZ-CD2 3.3Å; K446-H536 PolarHBondContact NZ-NE2 2.94Å
447	M	92.8	Very high	89.3	Confident	31 Å²	31	49 Å²	49	15%	0.153	24%	0.238	C	C	.	.	H	α-helix	trans	-56.7	-44	174.6	-66.8	162	70.3	0	0	111.6	W424 P433 A443 V444 Q449 L450 N451	W424-M447 HydrophobicContact CB-CE 3.52Å; W424-M447 HydrophobicContact CD2-CB 4.27Å; W424-M447 HydrophobicContact CD2-CE 3.41Å; W424-M447 VanDerWaalsContact CD2-CE 3.41Å; W424-M447 HydrophobicContact CD2-CG 4.11Å; W424-M447 HydrophobicContact CE3-CE 3.93Å; W424-M447 HydrophobicContact CE3-CG 4.15Å; W424-M447 HydrophobicContact CG-CE 3.2Å; W424-M447 HydrophobicContact CH2-CB 4.26Å; W424-M447 HydrophobicContact CH2-CG 4.18Å; W424-M447 HydrophobicContact CZ2-CB 3.72Å; W424-M447 HydrophobicContact CZ2-CG 4.08Å; W424-M447 WeakPolarHBondContact CZ2-O 3.42Å; W424-M447 HydrophobicContact CZ3-CG 4.2Å; P433-M447 HydrophobicContact CG-CG 4.07Å; A443-M447 WeakPolarHBondContact O-CG 3.33Å; A443-M447 PolarHBondContact O-N 3.39Å; V444-M447 WeakPolarHBondContact O-CB 3.38Å; V444-M447 PolarHBondContact O-N 3.28Å; M447-Q449 PolarHBondContact O-N 2.78Å; M447-L450 PolarHBondContact O-N 3.36Å; M447-N451 PolarHBondContact O-N 2.95Å
448	Q	94.3	Very high	90.8	Very high	45 Å²	45	41.4 Å²	41.4	21%	0.21	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-44.1	175.1	-70.8	166	-15.9	0	0	112.3	V444 K446 L450 N451 N452 P640 C643	V444-Q448 WeakPolarHBondContact O-CG 3.38Å; V444-Q448 PolarHBondContact O-N 3.12Å; K446-Q448 VanDerWaalsContact C-N 3.3Å; K446-Q448 PolarHBondContact O-N 3.04Å; Q448-L450 VanDerWaalsContact C-N 3.34Å; Q448-L450 PolarHBondContact O-N 2.96Å; Q448-N451 WeakPolarHBondContact O-CB 3.3Å; Q448-N451 PolarHBondContact O-N 2.83Å; Q448-N452 PolarHBondContact O-N 3.01Å; Q448-N452 PolarHBondContact O-ND2 3.49Å; Q448-P640 HydrophobicContact CG-CG 4.23Å; Q448-C643 HydrophobicContact CB-CB 3.58Å
449	Q	94.9	Very high	91.6	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-42.2	174	-69.6	163.4	54.8	0	0	111.9	R445 K446 M447 N451 N452 L453 L535 H536 M638 C643	R445-Q449 WeakPolarHBondContact O-CG 3.5Å; R445-Q449 PolarHBondContact O-N 3.09Å; R445-Q449 VanDerWaalsContact O-N 3.09Å; R445-Q449 PolarHBondContact O-NE2 3.16Å; R445-Q449 VanDerWaalsContact O-NE2 3.1Å; K446-Q449 WeakPolarHBondContact O-CB 3.46Å; K446-Q449 PolarHBondContact O-N 3.17Å; K446-Q449 VanDerWaalsContact O-N 3.15Å; M447-Q449 PolarHBondContact O-N 2.78Å; Q449-N451 VanDerWaalsContact C-N 3.31Å; Q449-N451 PolarHBondContact O-N 3.34Å; Q449-N452 PolarHBondContact O-N 3.25Å; Q449-L453 WeakPolarHBondContact O-CD1 3.27Å; Q449-L453 PolarHBondContact O-N 3.42Å; Q449-L535 HydrophobicContact CB-CD1 4.25Å; Q449-L535 HydrophobicContact CB-CD2 4.25Å; Q449-H536 PolarHBondContact OE1-CE1 3.45Å; Q449-H536 VanDerWaalsContact OE1-CE1 3.27Å; Q449-H536 PolarHBondContact OE1-NE2 2.92Å; Q449-M638 HydrophobicContact CB-SD 4.35Å; Q449-M638 HydrophobicContact CG-SD 4.04Å; Q449-C643 HydrophobicContact CG-CB 4.11Å; Q449-C643 PolarHBondContact NE2-O 3.43Å
450	L	95.1	Very high	92.2	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-37.9	177.5	-65	174.8	0	0	0	111.7	W424 P433 K446 M447 Q448 N452 L453 A454 H476 V477 V480 L535	W424-L450 HydrophobicContact CH2-CB 3.93Å; W424-L450 HydrophobicContact CH2-CD1 3.72Å; W424-L450 HydrophobicContact CH2-CG 4.47Å; W424-L450 HydrophobicContact CZ2-CB 4.03Å; P433-L450 HydrophobicContact CG-CD1 3.81Å; K446-L450 HydrophobicContact CD-CG 4.42Å; K446-L450 HydrophobicContact CG-CD1 4.28Å; K446-L450 HydrophobicContact CG-CG 4.47Å; K446-L450 VanDerWaalsContact O-CG 3.26Å; K446-L450 WeakPolarHBondContact O-CG 3.25Å; K446-L450 PolarHBondContact O-N 3.03Å; M447-L450 PolarHBondContact O-N 3.36Å; Q448-L450 VanDerWaalsContact C-N 3.34Å; Q448-L450 PolarHBondContact O-N 2.96Å; L450-N452 PolarHBondContact O-N 3.12Å; L450-L453 PolarHBondContact O-N 3.43Å; L450-A454 WeakPolarHBondContact O-CB 3.42Å; L450-A454 PolarHBondContact O-N 3.08Å; L450-H476 HydrophobicContact CD1-CB 4.19Å; L450-H476 HydrophobicContact CD2-CB 4Å; L450-V477 HydrophobicContact CD2-CB 4.2Å; L450-V477 HydrophobicContact CD2-CG2 3.44Å; L450-V477 VanDerWaalsContact CD2-CG2 3.44Å; L450-V480 HydrophobicContact CD1-CG2 4.29Å; L450-L535 HydrophobicContact CD2-CD2 4.03Å
451	N	95.2	Very high	92.9	Very high	18 Å²	18	36.2 Å²	36.2	10%	0.096	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-47.6	175	-76	-13.6	0	0	0	111.6	W420 T421 L422 W424 M447 Q448 Q449 L453 A454 A455	W420-N451 HydrophobicContact CE3-CB 4.33Å; W420-N451 VanDerWaalsContact CE3-O 3.31Å; W420-N451 HydrophobicContact CZ3-CB 4.41Å; W420-N451 WeakPolarHBondContact CZ3-O 3.49Å; T421-N451 WeakPolarHBondContact CB-ND2 3.44Å; T421-N451 PolarHBondContact OG1-ND2 2.96Å; L422-N451 PolarHBondContact N-OD1 3.48Å; L422-N451 VanDerWaalsContact N-OD1 3.08Å; W424-N451 WeakPolarHBondContact CZ2-OD1 3.26Å; W424-N451 PolarHBondContact NE1-OD1 3.34Å; M447-N451 PolarHBondContact O-N 2.95Å; Q448-N451 WeakPolarHBondContact O-CB 3.3Å; Q448-N451 PolarHBondContact O-N 2.83Å; Q449-N451 VanDerWaalsContact C-N 3.31Å; Q449-N451 PolarHBondContact O-N 3.34Å; N451-L453 PolarHBondContact O-N 2.87Å; N451-A454 PolarHBondContact O-N 2.9Å; N451-A455 VanDerWaalsContact O-CB 3.28Å; N451-A455 WeakPolarHBondContact O-CB 3.31Å; N451-A455 PolarHBondContact O-N 2.96Å
452	N	95.5	Very high	93.4	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-50.7	-179	-76.3	-100.5	0	0	0	111.5	H415 Q448 Q449 L450 M456 M638 E639 M649	H415-N452 PolarHBondContact CD2-OD1 2.93Å; H415-N452 VanDerWaalsContact CD2-OD1 3.23Å; H415-N452 PolarHBondContact NE2-OD1 3.46Å; Q448-N452 PolarHBondContact O-N 3.01Å; Q448-N452 PolarHBondContact O-ND2 3.49Å; Q449-N452 PolarHBondContact O-N 3.25Å; L450-N452 PolarHBondContact O-N 3.12Å; N452-M456 WeakPolarHBondContact O-CG 3.49Å; N452-M456 PolarHBondContact O-N 2.84Å; N452-M638 HydrophobicContact CB-CB 4.3Å; N452-M638 HydrophobicContact CB-CG 4Å; N452-M638 HydrophobicContact CB-SD 4.47Å; N452-M638 WeakPolarHBondContact OD1-CA 3.46Å; N452-M638 WeakPolarHBondContact OD1-CB 3.29Å; N452-E639 PolarHBondContact ND2-O 3.34Å; N452-E639 PolarHBondContact OD1-N 3.36Å; N452-M649 HydrophobicContact CB-CE 4.42Å; N452-M649 HydrophobicContact CB-SD 4.41Å
453	L	95.8	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-45.6	-179.6	-84.1	73.7	0	0	0	111.6	Q449 L450 N451 A455 M456 V457 V477 V533 L535 I557 M638 M649	Q449-L453 WeakPolarHBondContact O-CD1 3.27Å; Q449-L453 PolarHBondContact O-N 3.42Å; L450-L453 PolarHBondContact O-N 3.43Å; N451-L453 PolarHBondContact O-N 2.87Å; L453-A455 VanDerWaalsContact C-N 3.31Å; L453-A455 PolarHBondContact O-N 3.3Å; L453-M456 PolarHBondContact O-N 3.02Å; L453-V457 VanDerWaalsContact O-CG2 3.26Å; L453-V457 WeakPolarHBondContact O-CG2 3.48Å; L453-V457 PolarHBondContact O-N 2.95Å; L453-V477 HydrophobicContact CD2-CG1 4.29Å; L453-V477 HydrophobicContact CD2-CG2 4.01Å; L453-V533 HydrophobicContact CD2-CG1 3.72Å; L453-V533 HydrophobicContact CG-CG1 4.47Å; L453-L535 HydrophobicContact CD1-CD1 4.06Å; L453-L535 HydrophobicContact CD2-CB 3.73Å; L453-L535 HydrophobicContact CD2-CD1 4.27Å; L453-L535 HydrophobicContact CD2-CG 4.44Å; L453-I557 HydrophobicContact CG-CG2 4.14Å; L453-M638 HydrophobicContact CD1-CE 3.45Å; L453-M638 VanDerWaalsContact CD1-CE 3.45Å; L453-M649 HydrophobicContact CD1-SD 3.86Å; L453-M649 HydrophobicContact CG-SD 4.21Å
454	A	95.7	Very high	94.3	Very high	3 Å²	3	36 Å²	36	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-35.1	-178.1	0	0	0	0	0	112.1	W420 L422 L450 N451 V457 T458 V480 L481	W420-A454 HydrophobicContact CH2-CB 3.74Å; W420-A454 HydrophobicContact CZ3-CB 3.83Å; L422-A454 HydrophobicContact CD1-CB 4.15Å; L450-A454 WeakPolarHBondContact O-CB 3.42Å; L450-A454 PolarHBondContact O-N 3.08Å; N451-A454 PolarHBondContact O-N 2.9Å; A454-V457 PolarHBondContact O-N 3.33Å; A454-T458 VanDerWaalsContact O-CB 3.27Å; A454-T458 WeakPolarHBondContact O-CB 3.26Å; A454-T458 PolarHBondContact O-N 3.46Å; A454-T458 PolarHBondContact O-OG1 3.47Å; A454-V480 HydrophobicContact CB-CG1 4.38Å; A454-L481 HydrophobicContact CB-CD2 4.16Å
455	A	94.9	Very high	94.7	Very high	6 Å²	6	33.3 Å²	33.3	5%	0.05	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-50.8	174.4	0	0	0	0	0	111.1	C417 W420 N451 L453 V457 T458 E459	C417-A455 WeakPolarHBondContact SG-CB 3.36Å; W420-A455 HydrophobicContact CB-CB 4.23Å; W420-A455 HydrophobicContact CD2-CB 3.64Å; W420-A455 HydrophobicContact CE3-CB 3.43Å; W420-A455 VanDerWaalsContact CE3-CB 3.43Å; W420-A455 HydrophobicContact CG-CB 4.02Å; W420-A455 HydrophobicContact CZ3-CB 3.93Å; N451-A455 VanDerWaalsContact O-CB 3.28Å; N451-A455 WeakPolarHBondContact O-CB 3.31Å; N451-A455 PolarHBondContact O-N 2.96Å; L453-A455 VanDerWaalsContact C-N 3.31Å; L453-A455 PolarHBondContact O-N 3.3Å; A455-V457 PolarHBondContact O-N 3.05Å; A455-T458 PolarHBondContact O-N 3.29Å; A455-E459 PolarHBondContact O-N 3.5Å
456	M	94.9	Very high	95	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-38.2	-179	-60.5	-37.3	-61.3	0	0	112.7	P416 C417 N452 L453 L460 I557 M649 M651	P416-M456 HydrophobicContact CG-CE 3.33Å; P416-M456 HydrophobicContact CG-SD 3.52Å; P416-M456 VanDerWaalsContact CG-SD 3.52Å; C417-M456 VanDerWaalsContact SG-SD 3.69Å; N452-M456 WeakPolarHBondContact O-CG 3.49Å; N452-M456 PolarHBondContact O-N 2.84Å; L453-M456 PolarHBondContact O-N 3.02Å; M456-L460 WeakPolarHBondContact O-CG 3.26Å; M456-L460 PolarHBondContact O-N 3.28Å; M456-I557 HydrophobicContact CB-CG1 3.87Å; M456-I557 HydrophobicContact CB-CG2 4.09Å; M456-I557 HydrophobicContact CG-CG2 4.49Å; M456-M649 HydrophobicContact CG-CE 3.53Å; M456-M649 HydrophobicContact CG-SD 4.44Å; M456-M649 HydrophobicContact SD-CE 4.48Å; M456-M651 HydrophobicContact CB-CE 4.48Å; M456-M651 HydrophobicContact CE-CE 3.42Å; M456-M651 VanDerWaalsContact CE-CE 3.42Å; M456-M651 HydrophobicContact CE-SD 3.2Å; M456-M651 WeakPolarHBondContact CE-SD 3.36Å
457	V	96.3	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-42.3	177	174.7	0	0	0	0	110.7	L453 A454 A455 E459 L460 A461 I467 L481 L485 I531 V533 I557	L453-V457 VanDerWaalsContact O-CG2 3.26Å; L453-V457 WeakPolarHBondContact O-CG2 3.48Å; L453-V457 PolarHBondContact O-N 2.95Å; A454-V457 PolarHBondContact O-N 3.33Å; A455-V457 PolarHBondContact O-N 3.05Å; V457-E459 VanDerWaalsContact C-N 3.29Å; V457-E459 PolarHBondContact O-N 3.06Å; V457-L460 PolarHBondContact O-N 3.1Å; V457-L460 VanDerWaalsContact O-N 3.09Å; V457-A461 HydrophobicContact CG1-CB 4.47Å; V457-A461 WeakPolarHBondContact O-CB 3.2Å; V457-A461 PolarHBondContact O-N 3.36Å; V457-I467 HydrophobicContact CG1-CD1 3.79Å; V457-I467 HydrophobicContact CG1-CG2 4.42Å; V457-L481 HydrophobicContact CB-CD2 3.9Å; V457-L481 HydrophobicContact CG1-CD1 4.12Å; V457-L481 HydrophobicContact CG1-CD2 3.74Å; V457-L481 HydrophobicContact CG2-CD1 4.32Å; V457-L481 HydrophobicContact CG2-CD2 4.39Å; V457-L485 HydrophobicContact CG1-CD1 4.06Å; V457-I531 HydrophobicContact CG1-CD1 4.5Å; V457-V533 HydrophobicContact CG2-CG1 4.36Å; V457-V533 HydrophobicContact CG2-CG2 3.46Å; V457-V533 VanDerWaalsContact CG2-CG2 3.46Å; V457-I557 HydrophobicContact CG2-CD1 3.85Å; V457-I557 HydrophobicContact CG2-CG1 4.17Å
458	T	93.8	Very high	95.5	Very high	57 Å²	57	27.2 Å²	27.2	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-64	-35.1	179.5	-55.6	0	0	0	0	111.6	A454 A455 L460	A454-T458 VanDerWaalsContact O-CB 3.27Å; A454-T458 WeakPolarHBondContact O-CB 3.26Å; A454-T458 PolarHBondContact O-N 3.46Å; A454-T458 PolarHBondContact O-OG1 3.47Å; A455-T458 PolarHBondContact O-N 3.29Å; T458-L460 VanDerWaalsContact C-N 3.28Å; T458-L460 PolarHBondContact O-N 3.42Å
459	E	92.2	Very high	95.7	Very high	91 Å²	91	25.1 Å²	25.1	43%	0.425	15%	0.149	S	C	.	.	H	α-helix	trans	-63.9	-33.1	174	-167.2	-164.3	128.3	0	0	112.5	A455 V457 R653	A455-E459 PolarHBondContact O-N 3.5Å; V457-E459 VanDerWaalsContact C-N 3.29Å; V457-E459 PolarHBondContact O-N 3.06Å; E459-R653 IonicContact OE1-CZ 3.11Å; E459-R653 IonicContact OE1-NH2 2.99Å; E459-R653 PolarHBondContact OE1-NH2 3.35Å
460	L	93.3	Very high	95.8	Very high	13 Å²	13	24.7 Å²	24.7	7%	0.068	15%	0.147	C	C	.	.	H	α-helix	trans	-93.7	-34	-174.9	-70	178.5	0	0	0	114.2	M456 V457 T458 I531 A555 I557 M651 R653 R657	M456-L460 WeakPolarHBondContact O-CG 3.26Å; M456-L460 PolarHBondContact O-N 3.28Å; V457-L460 PolarHBondContact O-N 3.1Å; V457-L460 VanDerWaalsContact O-N 3.09Å; T458-L460 VanDerWaalsContact C-N 3.28Å; T458-L460 PolarHBondContact O-N 3.42Å; L460-I531 HydrophobicContact CB-CD1 3.77Å; L460-A555 HydrophobicContact CD1-CB 3.91Å; L460-I557 HydrophobicContact CD1-CD1 3.72Å; L460-I557 HydrophobicContact CD1-CG1 4.41Å; L460-M651 HydrophobicContact CD1-CE 3.44Å; L460-M651 VanDerWaalsContact CD1-CE 3.44Å; L460-M651 HydrophobicContact CD2-CE 3.85Å; L460-M651 HydrophobicContact CG-CE 3.65Å; L460-R653 HydrophobicContact CD2-CG 4.2Å; L460-R657 PolarHBondContact O-NH2 2.93Å
461	A	95.6	Very high	95.8	Very high	19 Å²	19	26.3 Å²	26.3	16%	0.157	16%	0.158	C	C	.	.			trans	-68.6	138.1	-169.3	0	0	0	0	0	112	V457 I467 L485 I531	V457-A461 HydrophobicContact CG1-CB 4.47Å; V457-A461 WeakPolarHBondContact O-CB 3.2Å; V457-A461 PolarHBondContact O-N 3.36Å; A461-I467 HydrophobicContact CB-CD1 4Å; A461-L485 HydrophobicContact CB-CD1 3.83Å; A461-L485 HydrophobicContact CB-CD2 4.48Å; A461-I531 HydrophobicContact CB-CD1 3.91Å
462	R	95.7	Very high	95.8	Very high	107 Å²	107	25.9 Å²	25.9	40%	0.404	16%	0.157	S	C	.	.			trans	-118.5	149.8	173.2	-61	-177.9	-176.9	-133.7	0.9	109.6	G464 D465 C488 E660	R462-G464 PolarHBondContact O-N 3.41Å; R462-D465 PolarHBondContact N-OD2 3.25Å; R462-D465 WeakPolarHBondContact O-CB 3.5Å; R462-D465 VanDerWaalsContact O-CG 3.26Å; R462-D465 PolarHBondContact O-N 2.87Å; R462-C488 PolarHBondContact O-SG 2.82Å; R462-C488 VanDerWaalsContact O-SG 3.35Å; R462-E660 PolarHBondContact NH2-O 3.12Å; R462-E660 VanDerWaalsContact NH2-O 3.14Å
463	P	95.9	Very high	95.7	Very high	106 Å²	106	26.6 Å²	26.6	69%	0.688	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	133.6	173.8	-27.2	35.6	0	0	0	111.6	D487	P463-D487 HydrophobicContact CB-CB 3.97Å
464	G	95.1	Very high	95.6	Very high	59 Å²	59	28.3 Å²	28.3	61%	0.608	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	-11.6	-175.5	0	0	0	0	0	115.4	R462 D487	R462-G464 PolarHBondContact O-N 3.41Å; G464-D487 WeakPolarHBondContact CA-O 3.36Å; G464-D487 PolarHBondContact N-O 2.6Å
465	D	97.3	Very high	95.5	Very high	19 Å²	19	28.1 Å²	28.1	10%	0.102	17%	0.174	C	C	.	.			trans	-60.2	145.8	176.7	-81.1	-7.2	0	0	0	111.8	R462 C488 Q489 Q530 R657	R462-D465 PolarHBondContact N-OD2 3.25Å; R462-D465 WeakPolarHBondContact O-CB 3.5Å; R462-D465 VanDerWaalsContact O-CG 3.26Å; R462-D465 PolarHBondContact O-N 2.87Å; D465-C488 CarbonylContact O-C 3.54Å; D465-C488 WeakPolarHBondContact O-CA 3.43Å; D465-Q489 PolarHBondContact O-N 3.11Å; D465-Q530 HydrophobicContact CB-CB 4.15Å; D465-Q530 WeakPolarHBondContact OD1-CG 3.44Å; D465-R657 IonicContact OD2-CZ 3.81Å; D465-R657 IonicContact OD2-NH2 2.67Å; D465-R657 PolarHBondContact OD2-NH2 3.15Å
466	T	98.1	Very high	95.4	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124	165.2	-57.1	0	0	0	0	109.6	R114 Q489 I491 F529 Q530 I531	R114-T466 PolarHBondContact NH2-OG1 3.43Å; T466-Q489 CarbonylContact C-O 3.6Å; T466-Q489 WeakPolarHBondContact CA-O 3.2Å; T466-Q489 HydrophobicContact CG2-CB 4.46Å; T466-Q489 HydrophobicContact CG2-CG 4.47Å; T466-I491 HydrophobicContact CG2-CD1 3.74Å; T466-I491 HydrophobicContact CG2-CG1 4.24Å; T466-F529 HydrophobicContact CG2-CB 4.14Å; T466-Q530 PolarHBondContact O-N 3.39Å; T466-I531 PolarHBondContact O-N 2.89Å
467	I	98.6	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.4	-179.6	-51.2	177.3	0	0	0	108.4	V457 A461 L481 L485 C488 Q489 I490 I491 I531 V533	V457-I467 HydrophobicContact CG1-CD1 3.79Å; V457-I467 HydrophobicContact CG1-CG2 4.42Å; A461-I467 HydrophobicContact CB-CD1 4Å; I467-L481 HydrophobicContact CG2-CD1 4.23Å; I467-L485 HydrophobicContact CD1-CD1 3.73Å; I467-C488 HydrophobicContact CD1-CB 4.07Å; I467-Q489 PolarHBondContact N-O 2.99Å; I467-I490 HydrophobicContact CB-CD1 3.75Å; I467-I490 HydrophobicContact CD1-CD1 3.9Å; I467-I490 HydrophobicContact CG1-CD1 4.14Å; I467-I490 HydrophobicContact CG2-CD1 4.45Å; I467-I490 CarbonylContact O-C 3.49Å; I467-I490 WeakPolarHBondContact O-CA 3.3Å; I467-I491 PolarHBondContact O-N 3.25Å; I467-I531 CarbonylContact C-O 3.57Å; I467-I531 VanDerWaalsContact CA-O 3.32Å; I467-I531 WeakPolarHBondContact CA-O 3.46Å; I467-I531 HydrophobicContact CD1-CD1 4.42Å; I467-I531 HydrophobicContact CG1-CB 4.22Å; I467-I531 HydrophobicContact CG1-CD1 4.39Å; I467-I531 HydrophobicContact CG2-CB 4.16Å; I467-I531 HydrophobicContact CG2-CG2 4.31Å; I467-V533 HydrophobicContact CG2-CG2 3.85Å
468	V	98.4	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.7	-177.4	-176.4	0	0	0	0	109.5	F470 I491 I493 F525 F529 I531 V533	V468-F470 HydrophobicContact CB-CD2 4.31Å; V468-F470 HydrophobicContact CB-CE1 4.49Å; V468-F470 HydrophobicContact CB-CE2 3.83Å; V468-F470 HydrophobicContact CB-CZ 3.95Å; V468-F470 HydrophobicContact CG1-CD1 3.81Å; V468-F470 HydrophobicContact CG1-CD2 3.96Å; V468-F470 HydrophobicContact CG1-CE1 3.58Å; V468-F470 HydrophobicContact CG1-CE2 3.7Å; V468-F470 HydrophobicContact CG1-CG 4.04Å; V468-F470 HydrophobicContact CG1-CZ 3.52Å; V468-I491 CarbonylContact C-O 3.55Å; V468-I491 WeakPolarHBondContact CA-O 3.4Å; V468-I491 HydrophobicContact CG2-CB 4.34Å; V468-I493 HydrophobicContact CG1-CD1 3.49Å; V468-I493 VanDerWaalsContact CG1-CD1 3.49Å; V468-I493 HydrophobicContact CG1-CG1 3.82Å; V468-F525 HydrophobicContact CG1-CE1 4.36Å; V468-F525 HydrophobicContact CG2-CE1 3.88Å; V468-F525 HydrophobicContact CG2-CZ 3.9Å; V468-F529 HydrophobicContact CB-CD2 4.34Å; V468-F529 HydrophobicContact CB-CG 4.42Å; V468-F529 HydrophobicContact CG2-CB 3.52Å; V468-F529 HydrophobicContact CG2-CD1 4.14Å; V468-F529 HydrophobicContact CG2-CD2 4.01Å; V468-F529 HydrophobicContact CG2-CG 3.64Å; V468-I531 PolarHBondContact N-O 3.22Å; V468-V533 PolarHBondContact O-N 3.13Å
469	D	98.3	Very high	95.6	Very high	2 Å²	2	27 Å²	27	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	99.8	171.4	-175.1	11.7	0	0	0	108.5	S472 G478 I491 L492 I493 V533	D469-S472 VanDerWaalsContact CG-CB 3.48Å; D469-S472 WeakPolarHBondContact O-CB 3.14Å; D469-S472 VanDerWaalsContact OD2-CB 3.3Å; D469-S472 WeakPolarHBondContact OD2-CB 3.47Å; D469-G478 WeakPolarHBondContact OD2-CA 3.45Å; D469-G478 PolarHBondContact OD2-N 3.5Å; D469-I491 PolarHBondContact N-O 3.4Å; D469-L492 HydrophobicContact CB-CD1 4.35Å; D469-L492 HydrophobicContact CB-CG 4.3Å; D469-I493 PolarHBondContact O-N 3.28Å; D469-V533 CarbonylContact C-O 3.58Å; D469-V533 WeakPolarHBondContact CA-O 3.28Å
470	F	97.3	Very high	95.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	140.5	178.8	-62.3	-80.5	0	0	0	110.8	V468 S472 I493 L522 F525 F529 V533 A534 V545 H548	V468-F470 HydrophobicContact CB-CD2 4.31Å; V468-F470 HydrophobicContact CB-CE1 4.49Å; V468-F470 HydrophobicContact CB-CE2 3.83Å; V468-F470 HydrophobicContact CB-CZ 3.95Å; V468-F470 HydrophobicContact CG1-CD1 3.81Å; V468-F470 HydrophobicContact CG1-CD2 3.96Å; V468-F470 HydrophobicContact CG1-CE1 3.58Å; V468-F470 HydrophobicContact CG1-CE2 3.7Å; V468-F470 HydrophobicContact CG1-CG 4.04Å; V468-F470 HydrophobicContact CG1-CZ 3.52Å; F470-S472 PolarHBondContact O-N 3.11Å; F470-I493 HydrophobicContact CD1-CB 4.49Å; F470-I493 HydrophobicContact CD1-CD1 3.87Å; F470-I493 HydrophobicContact CE1-CD1 3.75Å; F470-L522 HydrophobicContact CB-CD2 4.21Å; F470-L522 HydrophobicContact CD1-CD2 3.57Å; F470-L522 HydrophobicContact CE1-CD2 4.38Å; F470-L522 HydrophobicContact CG-CD2 4.33Å; F470-F525 HydrophobicContact CE1-CD1 4.29Å; F470-F529 AromaticContact CE2-CE2 3.99Å; F470-F529 HydrophobicContact CE2-CE2 3.99Å; F470-F529 HydrophobicContact CE2-CZ 4.05Å; F470-F529 HydrophobicContact CZ-CE1 4.15Å; F470-F529 HydrophobicContact CZ-CE2 4.09Å; F470-F529 AromaticContact CZ-CZ 3.72Å; F470-F529 HydrophobicContact CZ-CZ 3.72Å; F470-V533 PolarHBondContact N-O 3.31Å; F470-A534 HydrophobicContact CB-CB 4.25Å; F470-A534 WeakPolarHBondContact O-CB 3.15Å; F470-V545 HydrophobicContact CB-CG1 4.17Å; F470-V545 HydrophobicContact CB-CG2 3.48Å; F470-V545 VanDerWaalsContact CB-CG2 3.48Å; F470-V545 HydrophobicContact CD1-CG2 4.43Å; F470-V545 HydrophobicContact CD2-CB 4.49Å; F470-V545 HydrophobicContact CD2-CG1 3.52Å; F470-V545 HydrophobicContact CD2-CG2 4.24Å; F470-V545 HydrophobicContact CE2-CG1 4.06Å; F470-V545 HydrophobicContact CG-CG1 4Å; F470-V545 HydrophobicContact CG-CG2 3.84Å; F470-H548 HydrophobicContact CZ-CB 4.27Å
471	C	94.5	Very high	95.9	Very high	37 Å²	37	22.2 Å²	22.2	25%	0.25	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	40.7	-173.1	-53.6	0	0	0	0	111.6	G473 I493	C471-G473 PolarHBondContact O-N 3.45Å; C471-I493 PolarHBondContact N-O 3.44Å; C471-I493 VanDerWaalsContact N-O 3.13Å
472	S	95.1	Very high	96	Very high	10 Å²	10	21.4 Å²	21.4	7%	0.07	14%	0.135	C	C	.	.			trans	-62.2	-17.4	-168.3	57.7	0	0	0	0	114.7	D469 F470 T474 G475 I493	D469-S472 VanDerWaalsContact CG-CB 3.48Å; D469-S472 WeakPolarHBondContact O-CB 3.14Å; D469-S472 VanDerWaalsContact OD2-CB 3.3Å; D469-S472 WeakPolarHBondContact OD2-CB 3.47Å; F470-S472 PolarHBondContact O-N 3.11Å; S472-T474 PolarHBondContact O-N 3.04Å; S472-G475 WeakPolarHBondContact O-CA 3.23Å; S472-G475 PolarHBondContact O-N 3.34Å; S472-I493 PolarHBondContact N-O 3.43Å; S472-I493 PolarHBondContact OG-O 3.36Å; S472-I493 VanDerWaalsContact OG-O 3.13Å
473	G	93.3	Very high	95.9	Very high	19 Å²	19	19.9 Å²	19.9	20%	0.196	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-121.9	-177.8	0	0	0	0	0	111.2	C471 G475 E494 S499	C471-G473 PolarHBondContact O-N 3.45Å; G473-G475 PolarHBondContact O-N 3.27Å; G473-E494 VanDerWaalsContact CA-OE2 3.25Å; G473-E494 WeakPolarHBondContact CA-OE2 3.41Å; G473-E494 PolarHBondContact N-OE2 2.99Å; G473-S499 CarbonylContact O-C 3.43Å; G473-S499 VanDerWaalsContact O-CB 3.31Å; G473-S499 WeakPolarHBondContact O-CB 3.41Å
474	T	92.8	Very high	95.8	Very high	35 Å²	35	17 Å²	17	22%	0.215	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	19.5	177	60.8	0	0	0	0	113	S472 H476 R502 R506	S472-T474 PolarHBondContact O-N 3.04Å; T474-H476 PolarHBondContact OG1-CE1 3.09Å; T474-H476 PolarHBondContact OG1-ND1 3.29Å; T474-H476 VanDerWaalsContact OG1-ND1 3.14Å; T474-R502 HydrophobicContact CG2-CB 4.17Å; T474-R506 PolarHBondContact O-NH1 3.12Å
475	G	93.8	Very high	95.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	24	170.6	0	0	0	0	0	115.5	S472 G473 V477 I479	S472-G475 WeakPolarHBondContact O-CA 3.23Å; S472-G475 PolarHBondContact O-N 3.34Å; G473-G475 PolarHBondContact O-N 3.27Å; G475-V477 VanDerWaalsContact C-N 3.33Å; G475-V477 PolarHBondContact O-N 2.89Å; G475-I479 WeakPolarHBondContact O-CB 3.42Å; G475-I479 WeakPolarHBondContact O-CD1 3.46Å; G475-I479 WeakPolarHBondContact O-CG1 3.36Å; G475-I479 PolarHBondContact O-N 3.17Å
476	H	94	Very high	95.8	Very high	33 Å²	33	18.7 Å²	18.7	15%	0.153	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-40.8	-176.2	-69.3	100.3	0	0	0	113.5	L450 T474 V480	L450-H476 HydrophobicContact CD1-CB 4.19Å; L450-H476 HydrophobicContact CD2-CB 4Å; T474-H476 PolarHBondContact OG1-CE1 3.09Å; T474-H476 PolarHBondContact OG1-ND1 3.29Å; T474-H476 VanDerWaalsContact OG1-ND1 3.14Å; H476-V480 VanDerWaalsContact O-CG2 3.23Å; H476-V480 WeakPolarHBondContact O-CG2 3.33Å
477	V	95.7	Very high	95.8	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-78	-56.9	178.7	177.8	0	0	0	0	109.6	L450 L453 G475 I479 V480 L481 V533 L535	L450-V477 HydrophobicContact CD2-CB 4.2Å; L450-V477 HydrophobicContact CD2-CG2 3.44Å; L450-V477 VanDerWaalsContact CD2-CG2 3.44Å; L453-V477 HydrophobicContact CD2-CG1 4.29Å; L453-V477 HydrophobicContact CD2-CG2 4.01Å; G475-V477 VanDerWaalsContact C-N 3.33Å; G475-V477 PolarHBondContact O-N 2.89Å; V477-I479 VanDerWaalsContact C-N 3.33Å; V477-I479 PolarHBondContact O-N 3.23Å; V477-V480 WeakPolarHBondContact O-CB 3.27Å; V477-V480 PolarHBondContact O-N 3.37Å; V477-V480 VanDerWaalsContact O-N 3.15Å; V477-L481 HydrophobicContact CG1-CD1 3.71Å; V477-L481 HydrophobicContact CG1-CG 4.22Å; V477-L481 WeakPolarHBondContact O-CG 3.43Å; V477-L481 PolarHBondContact O-N 2.76Å; V477-V533 HydrophobicContact CG1-CG1 3.7Å; V477-L535 HydrophobicContact CG2-CB 3.66Å; V477-L535 HydrophobicContact CG2-CD2 3.73Å; V477-L535 HydrophobicContact CG2-CG 4.35Å
478	G	96.5	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59	-36	-176.7	0	0	0	0	0	115	D469 L481 A482	D469-G478 WeakPolarHBondContact OD2-CA 3.45Å; D469-G478 PolarHBondContact OD2-N 3.5Å; G478-L481 PolarHBondContact O-N 3.22Å; G478-A482 VanDerWaalsContact O-CB 3.28Å; G478-A482 WeakPolarHBondContact O-CB 3.38Å; G478-A482 PolarHBondContact O-N 3.07Å
479	I	96	Very high	95.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.2	-41.6	177.1	-67.7	171.4	0	0	0	111.3	I431 G475 V477 A482 H483 R506 S507 L510 L512 I515	I431-I479 HydrophobicContact CG1-CG2 4.22Å; G475-I479 WeakPolarHBondContact O-CB 3.42Å; G475-I479 WeakPolarHBondContact O-CD1 3.46Å; G475-I479 WeakPolarHBondContact O-CG1 3.36Å; G475-I479 PolarHBondContact O-N 3.17Å; V477-I479 VanDerWaalsContact C-N 3.33Å; V477-I479 PolarHBondContact O-N 3.23Å; I479-A482 PolarHBondContact O-N 3.48Å; I479-H483 PolarHBondContact O-N 3.44Å; I479-H483 VanDerWaalsContact O-N 3.14Å; I479-R506 HydrophobicContact CD1-CB 3.77Å; I479-S507 WeakPolarHBondContact CG1-OG 3.32Å; I479-L510 HydrophobicContact CG2-CD1 3.46Å; I479-L510 VanDerWaalsContact CG2-CD1 3.46Å; I479-L512 HydrophobicContact CG2-CD1 3.98Å; I479-I515 HydrophobicContact CG1-CD1 4.2Å
480	V	95.4	Very high	95.7	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-50.4	174.9	166.6	0	0	0	0	109.6	L422 W424 I431 L450 A454 H476 V477 A482 H483 T484	L422-V480 HydrophobicContact CD1-CG1 3.4Å; L422-V480 VanDerWaalsContact CD1-CG1 3.4Å; L422-V480 HydrophobicContact CD2-CG1 4.33Å; W424-V480 HydrophobicContact CH2-CG2 4.28Å; W424-V480 HydrophobicContact CZ3-CG2 4.49Å; I431-V480 HydrophobicContact CG2-CB 4.42Å; I431-V480 HydrophobicContact CG2-CG2 3.42Å; I431-V480 VanDerWaalsContact CG2-CG2 3.42Å; L450-V480 HydrophobicContact CD1-CG2 4.29Å; A454-V480 HydrophobicContact CB-CG1 4.38Å; H476-V480 VanDerWaalsContact O-CG2 3.23Å; H476-V480 WeakPolarHBondContact O-CG2 3.33Å; V477-V480 WeakPolarHBondContact O-CB 3.27Å; V477-V480 PolarHBondContact O-N 3.37Å; V477-V480 VanDerWaalsContact O-N 3.15Å; V480-A482 VanDerWaalsContact C-N 3.34Å; V480-A482 PolarHBondContact O-N 3.41Å; V480-H483 PolarHBondContact O-N 2.92Å; V480-H483 VanDerWaalsContact O-N 3.16Å; V480-T484 HydrophobicContact CG1-CG2 4.4Å; V480-T484 WeakPolarHBondContact O-CG2 3.28Å; V480-T484 PolarHBondContact O-N 3.35Å; V480-T484 PolarHBondContact O-OG1 2.76Å; V480-T484 VanDerWaalsContact O-OG1 3.13Å
481	L	96.8	Very high	95.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-41.5	-179.9	-66	177.2	0	0	0	112.2	A454 V457 I467 V477 G478 H483 T484 L485 I490 V533	A454-L481 HydrophobicContact CB-CD2 4.16Å; V457-L481 HydrophobicContact CB-CD2 3.9Å; V457-L481 HydrophobicContact CG1-CD1 4.12Å; V457-L481 HydrophobicContact CG1-CD2 3.74Å; V457-L481 HydrophobicContact CG2-CD1 4.32Å; V457-L481 HydrophobicContact CG2-CD2 4.39Å; I467-L481 HydrophobicContact CG2-CD1 4.23Å; V477-L481 HydrophobicContact CG1-CD1 3.71Å; V477-L481 HydrophobicContact CG1-CG 4.22Å; V477-L481 WeakPolarHBondContact O-CG 3.43Å; V477-L481 PolarHBondContact O-N 2.76Å; G478-L481 PolarHBondContact O-N 3.22Å; L481-H483 VanDerWaalsContact C-N 3.26Å; L481-H483 PolarHBondContact O-N 2.85Å; L481-T484 WeakPolarHBondContact CA-OG1 3.14Å; L481-T484 PolarHBondContact O-N 2.8Å; L481-T484 PolarHBondContact O-OG1 3.48Å; L481-L485 HydrophobicContact CD2-CD1 4.41Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 PolarHBondContact O-N 2.81Å; L481-I490 HydrophobicContact CB-CD1 4.12Å; L481-V533 HydrophobicContact CD1-CG2 4.33Å
482	A	96.8	Very high	95.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-36.4	178	0	0	0	0	0	112.2	G478 I479 V480 I490 L512 N514 I515	G478-A482 VanDerWaalsContact O-CB 3.28Å; G478-A482 WeakPolarHBondContact O-CB 3.38Å; G478-A482 PolarHBondContact O-N 3.07Å; I479-A482 PolarHBondContact O-N 3.48Å; V480-A482 VanDerWaalsContact C-N 3.34Å; V480-A482 PolarHBondContact O-N 3.41Å; A482-I490 HydrophobicContact CB-CB 4.2Å; A482-I490 HydrophobicContact CB-CG1 3.68Å; A482-L512 HydrophobicContact CB-CD1 4.02Å; A482-L512 HydrophobicContact CB-CD2 4.46Å; A482-N514 PolarHBondContact O-ND2 2.88Å; A482-N514 PolarHBondContact O-OD1 3.26Å; A482-I515 HydrophobicContact CB-CB 4.16Å; A482-I515 HydrophobicContact CB-CD1 4.12Å
483	H	95.1	Very high	96	Very high	75 Å²	75	24 Å²	24	35%	0.347	14%	0.137	S	C	.	.	H	α-helix	trans	-74.1	-40.5	177.1	-174.4	77.1	0	0	0	112.6	L427 I431 I479 V480 L481 L512	L427-H483 VanDerWaalsContact CD2-CD2 3.48Å; L427-H483 WeakPolarHBondContact CD2-CD2 3.46Å; I431-H483 HydrophobicContact CD1-CB 3.67Å; I431-H483 VanDerWaalsContact CD1-CG 3.41Å; I479-H483 PolarHBondContact O-N 3.44Å; I479-H483 VanDerWaalsContact O-N 3.14Å; V480-H483 PolarHBondContact O-N 2.92Å; V480-H483 VanDerWaalsContact O-N 3.16Å; L481-H483 VanDerWaalsContact C-N 3.26Å; L481-H483 PolarHBondContact O-N 2.85Å; H483-L512 HydrophobicContact CB-CD2 4.27Å
484	T	93.8	Very high	96	Very high	47 Å²	47	24.5 Å²	24.5	29%	0.288	13%	0.134	S	C	.	.	H	α-helix	trans	-81.8	-23.2	-176.6	56.9	0	0	0	0	113.6	L422 V480 L481 P486	L422-T484 HydrophobicContact CD2-CG2 3.66Å; V480-T484 HydrophobicContact CG1-CG2 4.4Å; V480-T484 WeakPolarHBondContact O-CG2 3.28Å; V480-T484 PolarHBondContact O-N 3.35Å; V480-T484 PolarHBondContact O-OG1 2.76Å; V480-T484 VanDerWaalsContact O-OG1 3.13Å; L481-T484 WeakPolarHBondContact CA-OG1 3.14Å; L481-T484 PolarHBondContact O-N 2.8Å; L481-T484 PolarHBondContact O-OG1 3.48Å; T484-P486 VanDerWaalsContact C-CD 3.5Å; T484-P486 WeakPolarHBondContact O-CD 3.27Å
485	L	96.2	Very high	96	Very high	26 Å²	26	25.1 Å²	25.1	14%	0.136	14%	0.136	C	C	.	.			trans	-123	70.5	-177.7	-57.9	171.4	0	0	0	110.2	V457 A461 I467 L481 D487 C488 N514	V457-L485 HydrophobicContact CG1-CD1 4.06Å; A461-L485 HydrophobicContact CB-CD1 3.83Å; A461-L485 HydrophobicContact CB-CD2 4.48Å; I467-L485 HydrophobicContact CD1-CD1 3.73Å; L481-L485 HydrophobicContact CD2-CD1 4.41Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 PolarHBondContact O-N 2.81Å; L485-D487 PolarHBondContact O-N 3.31Å; L485-C488 HydrophobicContact CB-CB 3.94Å; L485-C488 PolarHBondContact O-N 2.83Å; L485-C488 VanDerWaalsContact O-N 3.08Å; L485-N514 PolarHBondContact O-ND2 3.23Å; L485-N514 VanDerWaalsContact O-ND2 3.08Å
486	P	95.7	Very high	95.8	Very high	86 Å²	86	30.2 Å²	30.2	56%	0.558	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.9	-174.6	26.2	-35.5	0	0	0	113.6	T484	T484-P486 VanDerWaalsContact C-CD 3.5Å; T484-P486 WeakPolarHBondContact O-CD 3.27Å
487	D	97	Very high	95.6	Very high	117 Å²	117	31.3 Å²	31.3	63%	0.626	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.9	179.4	-58.1	-45.3	0	0	0	113.5	P463 G464 L485	P463-D487 HydrophobicContact CB-CB 3.97Å; G464-D487 WeakPolarHBondContact CA-O 3.36Å; G464-D487 PolarHBondContact N-O 2.6Å; L485-D487 PolarHBondContact O-N 3.31Å
488	C	97.9	Very high	95.3	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.047	18%	0.184	C	C	.	.	S	Bend	trans	-97.8	149.8	173.3	-65.1	0	0	0	0	110.4	R462 D465 I467 L485 I490 N514	R462-C488 PolarHBondContact O-SG 2.82Å; R462-C488 VanDerWaalsContact O-SG 3.35Å; D465-C488 CarbonylContact O-C 3.54Å; D465-C488 WeakPolarHBondContact O-CA 3.43Å; I467-C488 HydrophobicContact CD1-CB 4.07Å; L485-C488 HydrophobicContact CB-CB 3.94Å; L485-C488 PolarHBondContact O-N 2.83Å; L485-C488 VanDerWaalsContact O-N 3.08Å; C488-I490 HydrophobicContact CB-CD1 4.3Å; C488-N514 WeakPolarHBondContact O-CB 3.49Å; C488-N514 PolarHBondContact O-ND2 3.05Å
489	Q	97.4	Very high	95.1	Very high	38 Å²	38	36.6 Å²	36.6	18%	0.178	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.6	168	-178.4	68.4	29.1	0	0	110	D465 T466 I467 I491 N514	D465-Q489 PolarHBondContact O-N 3.11Å; T466-Q489 CarbonylContact C-O 3.6Å; T466-Q489 WeakPolarHBondContact CA-O 3.2Å; T466-Q489 HydrophobicContact CG2-CB 4.46Å; T466-Q489 HydrophobicContact CG2-CG 4.47Å; I467-Q489 PolarHBondContact N-O 2.99Å; Q489-I491 HydrophobicContact CG-CG1 4.43Å; Q489-N514 PolarHBondContact NE2-O 3.11Å
490	I	98.1	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.2	174.2	-46.9	-54.8	0	0	0	110.5	I467 L481 A482 C488 L492 N514 I515 G516	I467-I490 HydrophobicContact CB-CD1 3.75Å; I467-I490 HydrophobicContact CD1-CD1 3.9Å; I467-I490 HydrophobicContact CG1-CD1 4.14Å; I467-I490 HydrophobicContact CG2-CD1 4.45Å; I467-I490 CarbonylContact O-C 3.49Å; I467-I490 WeakPolarHBondContact O-CA 3.3Å; L481-I490 HydrophobicContact CB-CD1 4.12Å; A482-I490 HydrophobicContact CB-CB 4.2Å; A482-I490 HydrophobicContact CB-CG1 3.68Å; C488-I490 HydrophobicContact CB-CD1 4.3Å; I490-L492 HydrophobicContact CG2-CD1 3.59Å; I490-N514 PolarHBondContact N-O 3.38Å; I490-I515 HydrophobicContact CB-CG1 4.25Å; I490-I515 HydrophobicContact CG2-CG1 4.41Å; I490-I515 CarbonylContact O-C 3.55Å; I490-I515 WeakPolarHBondContact O-CA 3.38Å; I490-G516 PolarHBondContact O-N 2.95Å
491	I	97.9	Very high	94.8	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.1	173.1	-58.4	175.8	0	0	0	108.7	L115 T466 I467 V468 D469 Q489 I493 G516 F525	L115-I491 HydrophobicContact CD2-CD1 4.46Å; L115-I491 HydrophobicContact CD2-CG1 4.42Å; L115-I491 HydrophobicContact CD2-CG2 4.39Å; T466-I491 HydrophobicContact CG2-CD1 3.74Å; T466-I491 HydrophobicContact CG2-CG1 4.24Å; I467-I491 PolarHBondContact O-N 3.25Å; V468-I491 CarbonylContact C-O 3.55Å; V468-I491 WeakPolarHBondContact CA-O 3.4Å; V468-I491 HydrophobicContact CG2-CB 4.34Å; D469-I491 PolarHBondContact N-O 3.4Å; Q489-I491 HydrophobicContact CG-CG1 4.43Å; I491-I493 HydrophobicContact CG2-CG1 4.17Å; I491-G516 WeakPolarHBondContact CA-O 3.28Å; I491-F525 HydrophobicContact CD1-CE2 4.23Å; I491-F525 HydrophobicContact CD1-CZ 4.28Å
492	L	98	Very high	94.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.3	176.9	-84.7	60.4	0	0	0	109	D469 I490 L500 A503 I515 G516 F517 L518	D469-L492 HydrophobicContact CB-CD1 4.35Å; D469-L492 HydrophobicContact CB-CG 4.3Å; I490-L492 HydrophobicContact CG2-CD1 3.59Å; L492-L500 HydrophobicContact CB-CD1 4.25Å; L492-A503 HydrophobicContact CD2-CB 4.01Å; L492-I515 HydrophobicContact CD1-CD1 3.56Å; L492-I515 HydrophobicContact CD1-CG1 3.72Å; L492-I515 HydrophobicContact CD2-CD1 4.07Å; L492-I515 HydrophobicContact CG-CD1 4.47Å; L492-G516 PolarHBondContact N-O 3.24Å; L492-F517 HydrophobicContact CB-CD1 4.22Å; L492-F517 HydrophobicContact CD2-CD1 4.18Å; L492-F517 HydrophobicContact CD2-CE1 3.9Å; L492-L518 PolarHBondContact O-N 3.36Å
493	I	97.1	Very high	94.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.8	175.9	-50.3	-175	0	0	0	108.9	V468 D469 F470 C471 S472 I491 L518 L522 F525	V468-I493 HydrophobicContact CG1-CD1 3.49Å; V468-I493 VanDerWaalsContact CG1-CD1 3.49Å; V468-I493 HydrophobicContact CG1-CG1 3.82Å; D469-I493 PolarHBondContact O-N 3.28Å; F470-I493 HydrophobicContact CD1-CB 4.49Å; F470-I493 HydrophobicContact CD1-CD1 3.87Å; F470-I493 HydrophobicContact CE1-CD1 3.75Å; C471-I493 PolarHBondContact N-O 3.44Å; C471-I493 VanDerWaalsContact N-O 3.13Å; S472-I493 PolarHBondContact N-O 3.43Å; S472-I493 PolarHBondContact OG-O 3.36Å; S472-I493 VanDerWaalsContact OG-O 3.13Å; I491-I493 HydrophobicContact CG2-CG1 4.17Å; I493-L518 WeakPolarHBondContact CA-O 3.3Å; I493-L518 HydrophobicContact CD1-CD2 4.02Å; I493-L518 HydrophobicContact CG1-CB 4.21Å; I493-L518 HydrophobicContact CG1-CD2 4.07Å; I493-L518 HydrophobicContact CG2-CD2 4.41Å; I493-L522 HydrophobicContact CG2-CD2 4.22Å; I493-F525 HydrophobicContact CD1-CB 3.7Å; I493-F525 HydrophobicContact CD1-CD1 3.68Å; I493-F525 HydrophobicContact CD1-CD2 3.96Å; I493-F525 HydrophobicContact CD1-CE1 4.27Å; I493-F525 HydrophobicContact CD1-CG 3.49Å; I493-F525 VanDerWaalsContact CD1-CG 3.49Å
494	E	95.1	Very high	94.3	Very high	29 Å²	29	43.8 Å²	43.8	14%	0.136	22%	0.221	C	C	.	.			trans	-152.9	135.8	179.6	176.6	51.8	-119.3	0	0	111.7	G473 K496 L500 L518 Q519	G473-E494 VanDerWaalsContact CA-OE2 3.25Å; G473-E494 WeakPolarHBondContact CA-OE2 3.41Å; G473-E494 PolarHBondContact N-OE2 2.99Å; E494-K496 HydrophobicContact CG-CB 4.4Å; E494-K496 WeakPolarHBondContact OE1-CB 3.39Å; E494-K496 PolarHBondContact OE1-N 3.14Å; E494-L500 HydrophobicContact CB-CB 4.24Å; E494-L500 HydrophobicContact CB-CD1 4.05Å; E494-L500 HydrophobicContact CG-CB 4.39Å; E494-L518 PolarHBondContact N-O 2.95Å; E494-Q519 VanDerWaalsContact O-CA 3.28Å; E494-Q519 WeakPolarHBondContact O-CA 3.5Å
495	N	91.3	Very high	94.2	Very high	48 Å²	48	49.7 Å²	49.7	26%	0.257	24%	0.238	S	C	.	.	S	Bend	trans	-81.5	-34.3	179.2	-92	-38.8	0	0	0	113.4	C171 E497 A520 N521	C171-N495 VanDerWaalsContact SG-CG 3.51Å; C171-N495 PolarHBondContact SG-ND2 3.5Å; N495-E497 PolarHBondContact O-N 3.25Å; N495-E497 VanDerWaalsContact O-N 3.13Å; N495-A520 PolarHBondContact OD1-O 3.48Å; N495-N521 PolarHBondContact ND2-OD1 3.34Å; N495-N521 VanDerWaalsContact ND2-OD1 3.1Å; N495-N521 WeakPolarHBondContact OD1-CA 3.45Å; N495-N521 PolarHBondContact OD1-N 3.25Å; N495-N521 PolarHBondContact OD1-OD1 3.33Å
496	K	90.3	Very high	94	Very high	106 Å²	106	49.9 Å²	49.9	46%	0.461	24%	0.237	S	C	.	.			trans	-78.2	100.7	-179.9	-174.5	172.8	173.8	-175.7	0	110.4	E494 E498 S499 L500	E494-K496 HydrophobicContact CG-CB 4.4Å; E494-K496 WeakPolarHBondContact OE1-CB 3.39Å; E494-K496 PolarHBondContact OE1-N 3.14Å; K496-E498 VanDerWaalsContact C-N 3.32Å; K496-E498 HydrophobicContact CG-CB 4.5Å; K496-E498 IonicContact NZ-OE2 2.63Å; K496-E498 PolarHBondContact O-N 3.15Å; K496-S499 WeakPolarHBondContact CD-OG 3.47Å; K496-S499 WeakPolarHBondContact O-CA 3.35Å; K496-S499 WeakPolarHBondContact O-CB 3.37Å; K496-S499 PolarHBondContact O-N 3.15Å; K496-L500 PolarHBondContact O-N 2.8Å
497	E	89.1	Confident	93.9	Very high	57 Å²	57	45.8 Å²	45.8	27%	0.266	21%	0.21	S	C	.	.	H	α-helix	trans	-45.2	-50.7	178.3	-177.6	168.4	-145.5	0	0	113.6	R133 N495 S499 L500 V501	R133-E497 IonicContact CZ-OE1 2.76Å; R133-E497 IonicContact NE-OE1 3.85Å; R133-E497 PolarHBondContact NE-OE1 3.44Å; R133-E497 IonicContact NH2-OE1 3.78Å; R133-E497 PolarHBondContact NH2-OE1 2.94Å; N495-E497 PolarHBondContact O-N 3.25Å; N495-E497 VanDerWaalsContact O-N 3.13Å; E497-S499 PolarHBondContact O-N 3.04Å; E497-S499 VanDerWaalsContact O-N 3.12Å; E497-L500 PolarHBondContact O-N 3.3Å; E497-L500 VanDerWaalsContact O-N 3.11Å; E497-V501 HydrophobicContact CG-CG2 4.12Å; E497-V501 WeakPolarHBondContact O-CG2 3.34Å; E497-V501 PolarHBondContact O-N 3.06Å
498	E	90.4	Very high	93.6	Very high	101 Å²	101	43.6 Å²	43.6	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-59.1	-28.5	-179.7	-65.1	172.2	-151.8	0	0	114	K496 R502	K496-E498 VanDerWaalsContact C-N 3.32Å; K496-E498 HydrophobicContact CG-CB 4.5Å; K496-E498 IonicContact NZ-OE2 2.63Å; K496-E498 PolarHBondContact O-N 3.15Å; E498-R502 VanDerWaalsContact O-CG 3.29Å; E498-R502 WeakPolarHBondContact O-CG 3.33Å; E498-R502 PolarHBondContact O-N 3.22Å; E498-R502 PolarHBondContact O-NE 2.87Å; E498-R502 IonicContact OE2-NH2 3.48Å; E498-R502 PolarHBondContact OE2-NH2 3.04Å
499	S	92.6	Very high	93.3	Very high	17 Å²	17	48 Å²	48	12%	0.119	22%	0.221	C	C	.	.	H	α-helix	trans	-77.1	-45	177.6	-60.4	0	0	0	0	110.1	G473 K496 E497 R502 A503	G473-S499 CarbonylContact O-C 3.43Å; G473-S499 VanDerWaalsContact O-CB 3.31Å; G473-S499 WeakPolarHBondContact O-CB 3.41Å; K496-S499 WeakPolarHBondContact CD-OG 3.47Å; K496-S499 WeakPolarHBondContact O-CA 3.35Å; K496-S499 WeakPolarHBondContact O-CB 3.37Å; K496-S499 PolarHBondContact O-N 3.15Å; E497-S499 PolarHBondContact O-N 3.04Å; E497-S499 VanDerWaalsContact O-N 3.12Å; S499-R502 WeakPolarHBondContact O-CB 3.4Å; S499-R502 PolarHBondContact O-N 3.38Å; S499-A503 PolarHBondContact O-N 2.95Å
500	L	93.1	Very high	93	Very high	1 Å²	1	48 Å²	48	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-40.1	-180	-167.7	66.2	0	0	0	112.1	L131 L492 E494 K496 E497 R502 A503 Q504 F517 Q519	L131-L500 HydrophobicContact CD1-CD2 3.54Å; L131-L500 HydrophobicContact CD1-CG 4.18Å; L492-L500 HydrophobicContact CB-CD1 4.25Å; E494-L500 HydrophobicContact CB-CB 4.24Å; E494-L500 HydrophobicContact CB-CD1 4.05Å; E494-L500 HydrophobicContact CG-CB 4.39Å; K496-L500 PolarHBondContact O-N 2.8Å; E497-L500 PolarHBondContact O-N 3.3Å; E497-L500 VanDerWaalsContact O-N 3.11Å; L500-R502 VanDerWaalsContact C-N 3.28Å; L500-R502 PolarHBondContact O-N 2.99Å; L500-A503 WeakPolarHBondContact O-CB 3.47Å; L500-A503 PolarHBondContact O-N 2.88Å; L500-A503 VanDerWaalsContact O-N 3.09Å; L500-Q504 PolarHBondContact O-N 3.48Å; L500-F517 HydrophobicContact CD1-CB 3.91Å; L500-F517 HydrophobicContact CD1-CD1 3.79Å; L500-F517 HydrophobicContact CD1-CG 4.33Å; L500-F517 HydrophobicContact CD2-CB 4.22Å; L500-F517 HydrophobicContact CG-CB 4.08Å; L500-F517 HydrophobicContact CG-CD1 4.41Å; L500-Q519 HydrophobicContact CD2-CB 3.7Å
501	V	91.5	Very high	92.8	Very high	61 Å²	61	50.4 Å²	50.4	37%	0.37	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-38.9	173.5	171.1	0	0	0	0	111.1	E497 Q504 R505	E497-V501 HydrophobicContact CG-CG2 4.12Å; E497-V501 WeakPolarHBondContact O-CG2 3.34Å; E497-V501 PolarHBondContact O-N 3.06Å; V501-Q504 PolarHBondContact O-N 3.14Å; V501-R505 PolarHBondContact O-N 2.99Å
502	R	91.9	Very high	92.6	Very high	135 Å²	135	50.5 Å²	50.5	51%	0.509	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-39.8	173.5	-74.3	178.3	-123.8	-139	-1.7	112	T474 E498 S499 L500 R505 R506	T474-R502 HydrophobicContact CG2-CB 4.17Å; E498-R502 VanDerWaalsContact O-CG 3.29Å; E498-R502 WeakPolarHBondContact O-CG 3.33Å; E498-R502 PolarHBondContact O-N 3.22Å; E498-R502 PolarHBondContact O-NE 2.87Å; E498-R502 IonicContact OE2-NH2 3.48Å; E498-R502 PolarHBondContact OE2-NH2 3.04Å; S499-R502 WeakPolarHBondContact O-CB 3.4Å; S499-R502 PolarHBondContact O-N 3.38Å; L500-R502 VanDerWaalsContact C-N 3.28Å; L500-R502 PolarHBondContact O-N 2.99Å; R502-R505 PolarHBondContact O-N 3.32Å; R502-R506 WeakPolarHBondContact O-CG 3.45Å; R502-R506 PolarHBondContact O-N 3.42Å; R502-R506 VanDerWaalsContact O-N 3.13Å
503	A	93.2	Very high	92.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-47.7	174.7	0	0	0	0	0	111	L492 S499 L500 R505 R506 S507 F517	L492-A503 HydrophobicContact CD2-CB 4.01Å; S499-A503 PolarHBondContact O-N 2.95Å; L500-A503 WeakPolarHBondContact O-CB 3.47Å; L500-A503 PolarHBondContact O-N 2.88Å; L500-A503 VanDerWaalsContact O-N 3.09Å; A503-R505 VanDerWaalsContact C-N 3.33Å; A503-R505 PolarHBondContact O-N 3.46Å; A503-R506 PolarHBondContact O-N 3.41Å; A503-S507 PolarHBondContact O-N 3.24Å; A503-S507 PolarHBondContact O-OG 3.17Å; A503-S507 VanDerWaalsContact O-OG 3.1Å; A503-F517 HydrophobicContact CB-CD1 4.29Å; A503-F517 HydrophobicContact CB-CE1 3.93Å
504	Q	93.2	Very high	92.4	Very high	33 Å²	33	60.5 Å²	60.5	15%	0.154	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-43.6	178.5	-171.6	-172.7	33.2	0	0	112.4	D126 L500 V501 S507 T508 F517	D126-Q504 PolarHBondContact OD2-NE2 2.88Å; L500-Q504 PolarHBondContact O-N 3.48Å; V501-Q504 PolarHBondContact O-N 3.14Å; Q504-S507 PolarHBondContact O-N 2.95Å; Q504-T508 WeakPolarHBondContact O-CB 3.23Å; Q504-T508 PolarHBondContact O-N 2.93Å; Q504-T508 PolarHBondContact O-OG1 2.94Å; Q504-F517 HydrophobicContact CB-CD1 4.32Å; Q504-F517 HydrophobicContact CB-CD2 4.22Å; Q504-F517 HydrophobicContact CB-CE1 4.25Å; Q504-F517 HydrophobicContact CB-CE2 4.18Å; Q504-F517 HydrophobicContact CB-CG 4.33Å; Q504-F517 HydrophobicContact CB-CZ 4.21Å; Q504-F517 HydrophobicContact CG-CD2 4.03Å; Q504-F517 HydrophobicContact CG-CE2 3.98Å; Q504-F517 HydrophobicContact CG-CZ 4.46Å
505	R	91.3	Very high	92.4	Very high	171 Å²	171	59.2 Å²	59.2	65%	0.645	29%	0.286	S	S	*	.	H	α-helix	trans	-60.4	-51.5	176.6	-178.5	-175.9	149.8	-165.4	-12.1	111.2	V501 R502 A503 S507 T508 E509	V501-R505 PolarHBondContact O-N 2.99Å; R502-R505 PolarHBondContact O-N 3.32Å; A503-R505 VanDerWaalsContact C-N 3.33Å; A503-R505 PolarHBondContact O-N 3.46Å; R505-S507 VanDerWaalsContact C-N 3.32Å; R505-S507 PolarHBondContact O-N 3.48Å; R505-T508 PolarHBondContact O-N 2.98Å; R505-T508 VanDerWaalsContact O-N 3.12Å; R505-E509 IonicContact CZ-OE1 3.9Å; R505-E509 IonicContact NE-OE1 2.65Å; R505-E509 PolarHBondContact NE-OE1 3.44Å; R505-E509 IonicContact NH2-OE1 2.72Å; R505-E509 PolarHBondContact NH2-OE1 3.1Å; R505-E509 WeakPolarHBondContact O-CG 3.32Å; R505-E509 PolarHBondContact O-N 3.47Å
506	R	91.8	Very high	92.7	Very high	29 Å²	29	57.1 Å²	57.1	11%	0.109	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-43.5	178.5	-70.3	172.4	68.1	-161.1	6.9	111.8	A430 I431 T474 I479 R502 A503 T508 E509 L510	A430-R506 VanDerWaalsContact O-CZ 3.3Å; A430-R506 PolarHBondContact O-NE 2.7Å; A430-R506 PolarHBondContact O-NH2 3.13Å; I431-R506 PolarHBondContact O-NH2 3.31Å; I431-R506 VanDerWaalsContact O-NH2 3.17Å; T474-R506 PolarHBondContact O-NH1 3.12Å; I479-R506 HydrophobicContact CD1-CB 3.77Å; R502-R506 WeakPolarHBondContact O-CG 3.45Å; R502-R506 PolarHBondContact O-N 3.42Å; R502-R506 VanDerWaalsContact O-N 3.13Å; A503-R506 PolarHBondContact O-N 3.41Å; R506-T508 VanDerWaalsContact C-N 3.31Å; R506-T508 PolarHBondContact O-N 3.33Å; R506-E509 PolarHBondContact O-N 3.2Å; R506-L510 WeakPolarHBondContact O-CD1 3.41Å; R506-L510 VanDerWaalsContact O-CG 3.28Å; R506-L510 WeakPolarHBondContact O-CG 3.23Å; R506-L510 PolarHBondContact O-N 3.16Å; R506-L510 VanDerWaalsContact O-N 3.11Å
507	S	93.1	Very high	93	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-32.9	177.6	-59.9	0	0	0	0	113.4	I479 A503 Q504 R505 L510 G511 L512 F517	I479-S507 WeakPolarHBondContact CG1-OG 3.32Å; A503-S507 PolarHBondContact O-N 3.24Å; A503-S507 PolarHBondContact O-OG 3.17Å; A503-S507 VanDerWaalsContact O-OG 3.1Å; Q504-S507 PolarHBondContact O-N 2.95Å; R505-S507 VanDerWaalsContact C-N 3.32Å; R505-S507 PolarHBondContact O-N 3.48Å; S507-L510 PolarHBondContact O-N 2.93Å; S507-G511 PolarHBondContact O-N 3.3Å; S507-G511 VanDerWaalsContact O-N 3.16Å; S507-L512 PolarHBondContact O-N 2.85Å; S507-F517 WeakPolarHBondContact OG-CZ 3.25Å
508	T	91.6	Very high	93.4	Very high	71 Å²	71	49.4 Å²	49.4	44%	0.436	24%	0.241	S	C	.	.	H	α-helix	trans	-70.6	-42.1	175.5	-59.5	0	0	0	0	111.2	R130 Q504 R505 R506 L510 G511	R130-T508 PolarHBondContact NH2-OG1 3.3Å; Q504-T508 WeakPolarHBondContact O-CB 3.23Å; Q504-T508 PolarHBondContact O-N 2.93Å; Q504-T508 PolarHBondContact O-OG1 2.94Å; R505-T508 PolarHBondContact O-N 2.98Å; R505-T508 VanDerWaalsContact O-N 3.12Å; R506-T508 VanDerWaalsContact C-N 3.31Å; R506-T508 PolarHBondContact O-N 3.33Å; T508-L510 PolarHBondContact O-N 3.04Å; T508-G511 PolarHBondContact O-N 3.48Å
509	E	91.5	Very high	93.7	Very high	100 Å²	100	45.5 Å²	45.5	47%	0.467	22%	0.223	S	C	.	.	H	α-helix	trans	-58.1	-33.1	172.8	-70.4	168.7	179.6	0	0	111.8	R505 R506	R505-E509 IonicContact CZ-OE1 3.9Å; R505-E509 IonicContact NE-OE1 2.65Å; R505-E509 PolarHBondContact NE-OE1 3.44Å; R505-E509 IonicContact NH2-OE1 2.72Å; R505-E509 PolarHBondContact NH2-OE1 3.1Å; R505-E509 WeakPolarHBondContact O-CG 3.32Å; R505-E509 PolarHBondContact O-N 3.47Å; R506-E509 PolarHBondContact O-N 3.2Å
510	L	91.6	Very high	93.7	Very high	38 Å²	38	44.8 Å²	44.8	20%	0.199	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.1	176.9	-68	167.8	0	0	0	114.6	P428 A430 I431 I479 R506 S507 T508 L512	P428-L510 HydrophobicContact CB-CD2 3.44Å; P428-L510 VanDerWaalsContact CB-CD2 3.44Å; P428-L510 HydrophobicContact CG-CD2 3.95Å; A430-L510 HydrophobicContact CB-CD1 4.21Å; A430-L510 HydrophobicContact CB-CD2 3.85Å; A430-L510 HydrophobicContact CB-CG 3.87Å; I431-L510 HydrophobicContact CD1-CD1 4.33Å; I431-L510 HydrophobicContact CD1-CD2 4.37Å; I431-L510 HydrophobicContact CG1-CD1 3.53Å; I431-L510 HydrophobicContact CG1-CD2 3.85Å; I431-L510 HydrophobicContact CG1-CG 4.37Å; I479-L510 HydrophobicContact CG2-CD1 3.46Å; I479-L510 VanDerWaalsContact CG2-CD1 3.46Å; R506-L510 WeakPolarHBondContact O-CD1 3.41Å; R506-L510 VanDerWaalsContact O-CG 3.28Å; R506-L510 WeakPolarHBondContact O-CG 3.23Å; R506-L510 PolarHBondContact O-N 3.16Å; R506-L510 VanDerWaalsContact O-N 3.11Å; S507-L510 PolarHBondContact O-N 2.93Å; T508-L510 PolarHBondContact O-N 3.04Å; L510-L512 VanDerWaalsContact C-N 3.25Å; L510-L512 HydrophobicContact CB-CD1 4.19Å; L510-L512 HydrophobicContact CB-CG 3.86Å; L510-L512 HydrophobicContact CD1-CD1 4.11Å; L510-L512 PolarHBondContact O-N 2.82Å
511	G	92.9	Very high	93.6	Very high	50 Å²	50	45 Å²	45	52%	0.515	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	24	-177	0	0	0	0	0	114.7	S507 T508	S507-G511 PolarHBondContact O-N 3.3Å; S507-G511 VanDerWaalsContact O-N 3.16Å; T508-G511 PolarHBondContact O-N 3.48Å
512	L	94.3	Very high	93.5	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.068	20%	0.204	C	C	.	.			trans	-68.4	132.8	-179.2	-64.2	173.6	0	0	0	111.1	I479 A482 H483 S507 L510 I515	I479-L512 HydrophobicContact CG2-CD1 3.98Å; A482-L512 HydrophobicContact CB-CD1 4.02Å; A482-L512 HydrophobicContact CB-CD2 4.46Å; H483-L512 HydrophobicContact CB-CD2 4.27Å; S507-L512 PolarHBondContact O-N 2.85Å; L510-L512 VanDerWaalsContact C-N 3.25Å; L510-L512 HydrophobicContact CB-CD1 4.19Å; L510-L512 HydrophobicContact CB-CG 3.86Å; L510-L512 HydrophobicContact CD1-CD1 4.11Å; L510-L512 PolarHBondContact O-N 2.82Å; L512-I515 HydrophobicContact CB-CG2 3.72Å
513	K	93.6	Very high	93.3	Very high	189 Å²	189	38.1 Å²	38.1	82%	0.822	19%	0.19	S	C	*	.			trans	-113.7	-23.7	-176.5	-62	-175.6	-177.6	177.6	0	113.8	I515	K513-I515 VanDerWaalsContact C-N 3.26Å; K513-I515 PolarHBondContact O-N 2.85Å
514	N	96.3	Very high	93.2	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	19%	0.193	C	C	.	.	S	Bend	trans	-89.2	22.4	-178.6	65.5	-34.7	0	0	0	113	A482 L485 C488 Q489 I490	A482-N514 PolarHBondContact O-ND2 2.88Å; A482-N514 PolarHBondContact O-OD1 3.26Å; L485-N514 PolarHBondContact O-ND2 3.23Å; L485-N514 VanDerWaalsContact O-ND2 3.08Å; C488-N514 WeakPolarHBondContact O-CB 3.49Å; C488-N514 PolarHBondContact O-ND2 3.05Å; Q489-N514 PolarHBondContact NE2-O 3.11Å; I490-N514 PolarHBondContact N-O 3.38Å
515	I	96.4	Very high	93.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.2	-175.4	-168.1	170.6	0	0	0	111.2	I479 A482 I490 L492 L512 K513 F517	I479-I515 HydrophobicContact CG1-CD1 4.2Å; A482-I515 HydrophobicContact CB-CB 4.16Å; A482-I515 HydrophobicContact CB-CD1 4.12Å; I490-I515 HydrophobicContact CB-CG1 4.25Å; I490-I515 HydrophobicContact CG2-CG1 4.41Å; I490-I515 CarbonylContact O-C 3.55Å; I490-I515 WeakPolarHBondContact O-CA 3.38Å; L492-I515 HydrophobicContact CD1-CD1 3.56Å; L492-I515 HydrophobicContact CD1-CG1 3.72Å; L492-I515 HydrophobicContact CD2-CD1 4.07Å; L492-I515 HydrophobicContact CG-CD1 4.47Å; L512-I515 HydrophobicContact CB-CG2 3.72Å; K513-I515 VanDerWaalsContact C-N 3.26Å; K513-I515 PolarHBondContact O-N 2.85Å; I515-F517 HydrophobicContact CD1-CE1 4.22Å; I515-F517 HydrophobicContact CD1-CZ 4.06Å; I515-F517 HydrophobicContact CG1-CE1 4.41Å; I515-F517 HydrophobicContact CG1-CZ 4.07Å; I515-F517 HydrophobicContact CG2-CE2 4.25Å; I515-F517 HydrophobicContact CG2-CZ 4.08Å
516	G	96.7	Very high	93.4	Very high	3 Å²	3	33 Å²	33	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.8	173.4	0	0	0	0	0	112	I490 I491 L492	I490-G516 PolarHBondContact O-N 2.95Å; I491-G516 WeakPolarHBondContact CA-O 3.28Å; L492-G516 PolarHBondContact N-O 3.24Å
517	F	97.6	Very high	93.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.3	-175.2	-55.5	-85.3	0	0	0	109.7	R130 L131 C132 L492 L500 A503 Q504 S507 I515	R130-F517 WeakPolarHBondContact O-CD2 3.35Å; R130-F517 PolarHBondContact O-N 3.27Å; L131-F517 WeakPolarHBondContact CA-O 3.23Å; L131-F517 HydrophobicContact CB-CB 4.41Å; L131-F517 HydrophobicContact CD1-CB 3.64Å; C132-F517 PolarHBondContact N-O 2.96Å; L492-F517 HydrophobicContact CB-CD1 4.22Å; L492-F517 HydrophobicContact CD2-CD1 4.18Å; L492-F517 HydrophobicContact CD2-CE1 3.9Å; L500-F517 HydrophobicContact CD1-CB 3.91Å; L500-F517 HydrophobicContact CD1-CD1 3.79Å; L500-F517 HydrophobicContact CD1-CG 4.33Å; L500-F517 HydrophobicContact CD2-CB 4.22Å; L500-F517 HydrophobicContact CG-CB 4.08Å; L500-F517 HydrophobicContact CG-CD1 4.41Å; A503-F517 HydrophobicContact CB-CD1 4.29Å; A503-F517 HydrophobicContact CB-CE1 3.93Å; Q504-F517 HydrophobicContact CB-CD1 4.32Å; Q504-F517 HydrophobicContact CB-CD2 4.22Å; Q504-F517 HydrophobicContact CB-CE1 4.25Å; Q504-F517 HydrophobicContact CB-CE2 4.18Å; Q504-F517 HydrophobicContact CB-CG 4.33Å; Q504-F517 HydrophobicContact CB-CZ 4.21Å; Q504-F517 HydrophobicContact CG-CD2 4.03Å; Q504-F517 HydrophobicContact CG-CE2 3.98Å; Q504-F517 HydrophobicContact CG-CZ 4.46Å; S507-F517 WeakPolarHBondContact OG-CZ 3.25Å; I515-F517 HydrophobicContact CD1-CE1 4.22Å; I515-F517 HydrophobicContact CD1-CZ 4.06Å; I515-F517 HydrophobicContact CG1-CE1 4.41Å; I515-F517 HydrophobicContact CG1-CZ 4.07Å; I515-F517 HydrophobicContact CG2-CE2 4.25Å; I515-F517 HydrophobicContact CG2-CZ 4.08Å
518	L	97.3	Very high	93.5	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.2	178.8	179.2	60.9	0	0	0	110.2	C119 C132 A134 L492 I493 E494 A520 F525	C119-L518 WeakPolarHBondContact SG-CD1 3.42Å; C119-L518 VanDerWaalsContact SG-CD2 3.59Å; C132-L518 HydrophobicContact CB-CD1 3.8Å; C132-L518 CarbonylContact O-C 3.53Å; C132-L518 VanDerWaalsContact O-CA 3.3Å; C132-L518 WeakPolarHBondContact O-CA 3.49Å; A134-L518 HydrophobicContact CB-CD1 3.91Å; L492-L518 PolarHBondContact O-N 3.36Å; I493-L518 WeakPolarHBondContact CA-O 3.3Å; I493-L518 HydrophobicContact CD1-CD2 4.02Å; I493-L518 HydrophobicContact CG1-CB 4.21Å; I493-L518 HydrophobicContact CG1-CD2 4.07Å; I493-L518 HydrophobicContact CG2-CD2 4.41Å; E494-L518 PolarHBondContact N-O 2.95Å; L518-A520 HydrophobicContact CD1-CB 4Å; L518-A520 HydrophobicContact CD2-CB 4.21Å; L518-A520 HydrophobicContact CG-CB 3.83Å; L518-A520 PolarHBondContact O-N 2.86Å; L518-F525 HydrophobicContact CD2-CB 3.94Å; L518-F525 HydrophobicContact CD2-CD2 3.66Å; L518-F525 HydrophobicContact CD2-CG 4.16Å
519	Q	96.3	Very high	93.7	Very high	19 Å²	19	34.1 Å²	34.1	9%	0.089	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	102.5	166	-171	-169.6	-9.7	0	0	108.8	C132 R133 A134 V138 E494 L500	C132-Q519 PolarHBondContact O-N 3.1Å; R133-Q519 CarbonylContact C-O 3.53Å; R133-Q519 WeakPolarHBondContact CA-O 3.5Å; R133-Q519 HydrophobicContact CG-CB 4.03Å; A134-Q519 PolarHBondContact N-O 3.33Å; V138-Q519 HydrophobicContact CG1-CB 4.35Å; V138-Q519 HydrophobicContact CG1-CG 3.86Å; E494-Q519 VanDerWaalsContact O-CA 3.28Å; E494-Q519 WeakPolarHBondContact O-CA 3.5Å; L500-Q519 HydrophobicContact CD2-CB 3.7Å
520	A	93.5	Very high	94	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	18%	0.184	C	C	.	.	S	Bend	trans	-162	155.7	178.9	0	0	0	0	0	111.3	A134 N495 L518	A134-A520 HydrophobicContact CB-CB 3.99Å; A134-A520 WeakPolarHBondContact O-CB 3.39Å; N495-A520 PolarHBondContact OD1-O 3.48Å; L518-A520 HydrophobicContact CD1-CB 4Å; L518-A520 HydrophobicContact CD2-CB 4.21Å; L518-A520 HydrophobicContact CG-CB 3.83Å; L518-A520 PolarHBondContact O-N 2.86Å
521	N	90.1	Very high	94.3	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.037	18%	0.175	C	C	.	.			trans	-64.3	151	160.9	-55.9	-36.8	0	0	0	108.8	C171 E173 N495 D523 Y524	C171-N521 WeakPolarHBondContact CB-OD1 3.37Å; C171-N521 PolarHBondContact SG-OD1 3.48Å; E173-N521 WeakPolarHBondContact OE1-CB 3.37Å; N495-N521 PolarHBondContact ND2-OD1 3.34Å; N495-N521 VanDerWaalsContact ND2-OD1 3.1Å; N495-N521 WeakPolarHBondContact OD1-CA 3.45Å; N495-N521 PolarHBondContact OD1-N 3.25Å; N495-N521 PolarHBondContact OD1-OD1 3.33Å; N521-D523 VanDerWaalsContact C-N 3.26Å; N521-D523 PolarHBondContact O-N 2.84Å; N521-Y524 HydrophobicContact CB-CD2 3.95Å; N521-Y524 HydrophobicContact CB-CE2 4.44Å; N521-Y524 WeakPolarHBondContact O-CB 3.44Å; N521-Y524 PolarHBondContact O-N 3.04Å
522	L	89.1	Confident	94.6	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.063	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-59.1	-39.2	-170.6	-62.3	173.5	0	0	0	111.8	F470 I493 Y524 F525 M544 V545 H548	F470-L522 HydrophobicContact CB-CD2 4.21Å; F470-L522 HydrophobicContact CD1-CD2 3.57Å; F470-L522 HydrophobicContact CE1-CD2 4.38Å; F470-L522 HydrophobicContact CG-CD2 4.33Å; I493-L522 HydrophobicContact CG2-CD2 4.22Å; L522-Y524 PolarHBondContact O-N 3.07Å; L522-Y524 VanDerWaalsContact O-N 3.13Å; L522-F525 PolarHBondContact O-N 3.45Å; L522-M544 HydrophobicContact CB-CE 3.79Å; L522-M544 HydrophobicContact CD1-CB 3.73Å; L522-M544 HydrophobicContact CD1-CE 3.81Å; L522-M544 HydrophobicContact CD1-SD 4.2Å; L522-M544 HydrophobicContact CG-CE 4.2Å; L522-V545 HydrophobicContact CD1-CG2 4.07Å; L522-H548 PolarHBondContact O-CE1 3.32Å; L522-H548 PolarHBondContact O-NE2 3.38Å
523	D	87.7	Confident	94.8	Very high	38 Å²	38	27.9 Å²	27.9	20%	0.203	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-66.3	-12.9	-178.8	-76.3	-8.8	0	0	0	114.4	N521 H548 K571	N521-D523 VanDerWaalsContact C-N 3.26Å; N521-D523 PolarHBondContact O-N 2.84Å; D523-H548 IonicContact OD1-NE2 2.66Å; D523-H548 PolarHBondContact OD1-NE2 3.29Å; D523-H548 VanDerWaalsContact OD1-NE2 3.1Å; D523-K571 IonicContact OD1-NZ 3.45Å; D523-K571 PolarHBondContact OD1-NZ 3.15Å; D523-K571 IonicContact OD2-NZ 2.74Å; D523-K571 PolarHBondContact OD2-NZ 3Å
524	Y	91.3	Very high	95	Very high	15 Å²	15	18.9 Å²	18.9	6%	0.059	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-80.2	-20	173.3	-80.5	-72.7	0	0	0	113.3	C119 R120 G135 L136 E182 N521 L522	C119-Y524 CarbonylContact C-O 3.57Å; C119-Y524 VanDerWaalsContact CA-O 3.22Å; C119-Y524 WeakPolarHBondContact CA-O 3.17Å; R120-Y524 HydrophobicContact CB-CD1 4.01Å; R120-Y524 PolarHBondContact N-O 3.06Å; G135-Y524 VanDerWaalsContact CA-CD1 3.46Å; G135-Y524 VanDerWaalsContact CA-CE2 3.44Å; L136-Y524 PolarHBondContact N-OH 2.77Å; E182-Y524 VanDerWaalsContact CG-OH 3.32Å; E182-Y524 WeakPolarHBondContact CG-OH 3.01Å; E182-Y524 WeakPolarHBondContact OE1-CE2 3.47Å; E182-Y524 PolarHBondContact OE1-OH 2.89Å; N521-Y524 HydrophobicContact CB-CD2 3.95Å; N521-Y524 HydrophobicContact CB-CE2 4.44Å; N521-Y524 WeakPolarHBondContact O-CB 3.44Å; N521-Y524 PolarHBondContact O-N 3.04Å; L522-Y524 PolarHBondContact O-N 3.07Å; L522-Y524 VanDerWaalsContact O-N 3.13Å
525	F	94.7	Very high	94.9	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.022	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-85.8	122.7	174.7	-179	-106.4	0	0	0	110.1	G118 V468 F470 I491 I493 L518 L522 F529 H548	G118-F525 CarbonylContact O-C 3.56Å; G118-F525 WeakPolarHBondContact O-CA 3.44Å; G118-F525 WeakPolarHBondContact O-CD2 3.26Å; V468-F525 HydrophobicContact CG1-CE1 4.36Å; V468-F525 HydrophobicContact CG2-CE1 3.88Å; V468-F525 HydrophobicContact CG2-CZ 3.9Å; F470-F525 HydrophobicContact CE1-CD1 4.29Å; I491-F525 HydrophobicContact CD1-CE2 4.23Å; I491-F525 HydrophobicContact CD1-CZ 4.28Å; I493-F525 HydrophobicContact CD1-CB 3.7Å; I493-F525 HydrophobicContact CD1-CD1 3.68Å; I493-F525 HydrophobicContact CD1-CD2 3.96Å; I493-F525 HydrophobicContact CD1-CE1 4.27Å; I493-F525 HydrophobicContact CD1-CG 3.49Å; I493-F525 VanDerWaalsContact CD1-CG 3.49Å; L518-F525 HydrophobicContact CD2-CB 3.94Å; L518-F525 HydrophobicContact CD2-CD2 3.66Å; L518-F525 HydrophobicContact CD2-CG 4.16Å; L522-F525 PolarHBondContact O-N 3.45Å; F525-F529 AromaticContact CE1-CD1 3.66Å; F525-F529 HydrophobicContact CE1-CD1 3.66Å; F525-F529 AromaticContact CE1-CE1 3.99Å; F525-F529 HydrophobicContact CE1-CE1 3.99Å; F525-F529 HydrophobicContact CE1-CG 4.5Å; F525-F529 HydrophobicContact CZ-CD1 4.37Å; F525-H548 PolarHBondContact O-CE1 3.38Å
526	T	93.4	Very high	94.6	Very high	76 Å²	76	21.3 Å²	21.3	47%	0.466	12%	0.119	S	C	.	.			trans	-130.8	13	179.7	58.7	0	0	0	0	111.6	G118 R120	G118-T526 PolarHBondContact O-N 3.09Å; R120-T526 HydrophobicContact CG-CG2 3.82Å
527	G	92.1	Very high	94.1	Very high	8 Å²	8	21.1 Å²	21.1	8%	0.082	12%	0.117	C	C	.	.			trans	-70.2	150.9	179.9	0	0	0	0	0	111.8	G118 F529	G118-G527 PolarHBondContact O-N 3.2Å; G527-F529 WeakPolarHBondContact O-CD1 3.22Å
528	P	94.6	Very high	93.7	Very high	109 Å²	109	24.3 Å²	24.3	71%	0.708	14%	0.139	S	C	*	.			trans	-70	141.9	173.3	30.4	-34.5	0	0	0	110.6
529	F	97.3	Very high	93.4	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.035	14%	0.139	C	C	.	.			trans	-152.6	159.3	173.8	64.4	-81	0	0	0	110.8	T466 V468 F470 F525 G527 A552 A554	T466-F529 HydrophobicContact CG2-CB 4.14Å; V468-F529 HydrophobicContact CB-CD2 4.34Å; V468-F529 HydrophobicContact CB-CG 4.42Å; V468-F529 HydrophobicContact CG2-CB 3.52Å; V468-F529 HydrophobicContact CG2-CD1 4.14Å; V468-F529 HydrophobicContact CG2-CD2 4.01Å; V468-F529 HydrophobicContact CG2-CG 3.64Å; F470-F529 AromaticContact CE2-CE2 3.99Å; F470-F529 HydrophobicContact CE2-CE2 3.99Å; F470-F529 HydrophobicContact CE2-CZ 4.05Å; F470-F529 HydrophobicContact CZ-CE1 4.15Å; F470-F529 HydrophobicContact CZ-CE2 4.09Å; F470-F529 AromaticContact CZ-CZ 3.72Å; F470-F529 HydrophobicContact CZ-CZ 3.72Å; F525-F529 AromaticContact CE1-CD1 3.66Å; F525-F529 HydrophobicContact CE1-CD1 3.66Å; F525-F529 AromaticContact CE1-CE1 3.99Å; F525-F529 HydrophobicContact CE1-CE1 3.99Å; F525-F529 HydrophobicContact CE1-CG 4.5Å; F525-F529 HydrophobicContact CZ-CD1 4.37Å; G527-F529 WeakPolarHBondContact O-CD1 3.22Å; F529-A552 HydrophobicContact CD1-CB 4Å; F529-A552 HydrophobicContact CE1-CB 3.47Å; F529-A552 VanDerWaalsContact CE1-CB 3.47Å; F529-A552 HydrophobicContact CE2-CB 4.36Å; F529-A552 HydrophobicContact CZ-CB 3.67Å; F529-A554 HydrophobicContact CD2-CB 3.6Å; F529-A554 HydrophobicContact CE2-CB 3.37Å; F529-A554 HydrophobicContact CG-CB 4.46Å; F529-A554 HydrophobicContact CZ-CB 4.08Å
530	Q	97.6	Very high	93	Very high	69 Å²	69	24.3 Å²	24.3	32%	0.322	14%	0.14	S	C	.	.	S	Bend	trans	-103.6	-30.3	-176	-78.4	67.9	45.3	0	0	112	D465 T466 A554 A555 R657	D465-Q530 HydrophobicContact CB-CB 4.15Å; D465-Q530 WeakPolarHBondContact OD1-CG 3.44Å; T466-Q530 PolarHBondContact O-N 3.39Å; Q530-A554 WeakPolarHBondContact O-CA 3.43Å; Q530-A555 PolarHBondContact O-N 3.04Å; Q530-R657 PolarHBondContact O-NH1 3.09Å
531	I	98.4	Very high	92.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.1	-178.4	-54	176.6	0	0	0	110	V457 L460 A461 T466 I467 V468 V533 A555 I557 R657	V457-I531 HydrophobicContact CG1-CD1 4.5Å; L460-I531 HydrophobicContact CB-CD1 3.77Å; A461-I531 HydrophobicContact CB-CD1 3.91Å; T466-I531 PolarHBondContact O-N 2.89Å; I467-I531 CarbonylContact C-O 3.57Å; I467-I531 VanDerWaalsContact CA-O 3.32Å; I467-I531 WeakPolarHBondContact CA-O 3.46Å; I467-I531 HydrophobicContact CD1-CD1 4.42Å; I467-I531 HydrophobicContact CG1-CB 4.22Å; I467-I531 HydrophobicContact CG1-CD1 4.39Å; I467-I531 HydrophobicContact CG2-CB 4.16Å; I467-I531 HydrophobicContact CG2-CG2 4.31Å; V468-I531 PolarHBondContact N-O 3.22Å; I531-V533 HydrophobicContact CG2-CG2 3.91Å; I531-A555 CarbonylContact C-O 3.57Å; I531-A555 WeakPolarHBondContact CA-O 3.3Å; I531-I557 HydrophobicContact CG2-CD1 3.49Å; I531-I557 VanDerWaalsContact CG2-CD1 3.49Å; I531-R657 VanDerWaalsContact CG1-NH1 3.35Å
532	G	98.2	Very high	93.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.1	167.7	0	0	0	0	0	111.2	A555 F556 I557	G532-A555 PolarHBondContact N-O 3.01Å; G532-F556 CarbonylContact O-C 3.58Å; G532-F556 VanDerWaalsContact O-CA 3.27Å; G532-F556 WeakPolarHBondContact O-CA 3.49Å; G532-I557 PolarHBondContact O-N 2.65Å
533	V	98.3	Very high	93.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.2	179.5	-172.1	0	0	0	0	108.7	L453 V457 I467 V468 D469 F470 V477 L481 I531 I557	L453-V533 HydrophobicContact CD2-CG1 3.72Å; L453-V533 HydrophobicContact CG-CG1 4.47Å; V457-V533 HydrophobicContact CG2-CG1 4.36Å; V457-V533 HydrophobicContact CG2-CG2 3.46Å; V457-V533 VanDerWaalsContact CG2-CG2 3.46Å; I467-V533 HydrophobicContact CG2-CG2 3.85Å; V468-V533 PolarHBondContact O-N 3.13Å; D469-V533 CarbonylContact C-O 3.58Å; D469-V533 WeakPolarHBondContact CA-O 3.28Å; F470-V533 PolarHBondContact N-O 3.31Å; V477-V533 HydrophobicContact CG1-CG1 3.7Å; L481-V533 HydrophobicContact CD1-CG2 4.33Å; I531-V533 HydrophobicContact CG2-CG2 3.91Å; V533-I557 VanDerWaalsContact CA-O 3.32Å; V533-I557 WeakPolarHBondContact CA-O 3.3Å; V533-I557 HydrophobicContact CG2-CD1 4.47Å
534	A	97.4	Very high	93.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	123.1	172.4	0	0	0	0	0	111.8	F470 A537 V545 I557 I558 S559	F470-A534 HydrophobicContact CB-CB 4.25Å; F470-A534 WeakPolarHBondContact O-CB 3.15Å; A534-A537 HydrophobicContact CB-CB 4.01Å; A534-V545 HydrophobicContact CB-CG1 4.26Å; A534-V545 HydrophobicContact CB-CG2 4.41Å; A534-I557 PolarHBondContact N-O 2.91Å; A534-I558 HydrophobicContact CB-CG1 4.43Å; A534-I558 HydrophobicContact CB-CG2 4.22Å; A534-I558 CarbonylContact O-C 3.57Å; A534-I558 WeakPolarHBondContact O-CA 3.17Å; A534-S559 PolarHBondContact O-N 3.35Å
535	L	95.4	Very high	93.8	Very high	16 Å²	16	22.2 Å²	22.2	8%	0.084	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.9	173.5	-178.9	58.8	0	0	0	109.8	K446 Q449 L450 L453 V477 M638	K446-L535 HydrophobicContact CD-CD2 4.08Å; Q449-L535 HydrophobicContact CB-CD1 4.25Å; Q449-L535 HydrophobicContact CB-CD2 4.25Å; L450-L535 HydrophobicContact CD2-CD2 4.03Å; L453-L535 HydrophobicContact CD1-CD1 4.06Å; L453-L535 HydrophobicContact CD2-CB 3.73Å; L453-L535 HydrophobicContact CD2-CD1 4.27Å; L453-L535 HydrophobicContact CD2-CG 4.44Å; V477-L535 HydrophobicContact CG2-CB 3.66Å; V477-L535 HydrophobicContact CG2-CD2 3.73Å; V477-L535 HydrophobicContact CG2-CG 4.35Å; L535-M638 HydrophobicContact CD1-CE 4.25Å
536	H	89.3	Confident	93.9	Very high	59 Å²	59	22.5 Å²	22.5	27%	0.273	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.8	48.9	-174.8	-52.8	-49.4	0	0	0	114.2	K446 Q449 C538 S559 C561	K446-H536 PolarHBondContact NZ-CD2 3.3Å; K446-H536 PolarHBondContact NZ-NE2 2.94Å; Q449-H536 PolarHBondContact OE1-CE1 3.45Å; Q449-H536 VanDerWaalsContact OE1-CE1 3.27Å; Q449-H536 PolarHBondContact OE1-NE2 2.92Å; H536-C538 PolarHBondContact O-N 2.99Å; H536-S559 WeakPolarHBondContact CA-O 3.32Å; H536-S559 PolarHBondContact N-O 3.48Å; H536-C561 WeakPolarHBondContact CA-SG 3.38Å; H536-C561 HydrophobicContact CB-CB 4.42Å; H536-C561 WeakPolarHBondContact CB-SG 3.47Å; H536-C561 PolarHBondContact O-SG 3.45Å
537	A	86.8	Confident	93.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	96.4	167.8	0	0	0	0	0	109.9	A534 A541 T542 I558 S559	A534-A537 HydrophobicContact CB-CB 4.01Å; A537-A541 HydrophobicContact CB-CB 4.3Å; A537-T542 WeakPolarHBondContact CB-OG1 3.48Å; A537-T542 PolarHBondContact O-OG1 3.02Å; A537-I558 HydrophobicContact CB-CG2 4.35Å; A537-S559 PolarHBondContact N-O 2.95Å
538	C	89.1	Confident	94	Very high	66 Å²	66	21.4 Å²	21.4	45%	0.446	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.3	-171.9	-67.9	0	0	0	0	113.7	H536 I540 A541 C561 C562	H536-C538 PolarHBondContact O-N 2.99Å; C538-I540 PolarHBondContact O-N 3.08Å; C538-A541 VanDerWaalsContact O-CB 3.22Å; C538-A541 WeakPolarHBondContact O-CB 3.34Å; C538-A541 PolarHBondContact O-N 3.43Å; C538-C561 WeakPolarHBondContact CA-O 3.27Å; C538-C561 PolarHBondContact SG-SG 2.74Å; C538-C562 HydrophobicContact CB-CB 3.99Å
539	G	90.3	Very high	94.2	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.021	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-124.1	170.8	0	0	0	0	0	111.8	A541 T542 C561 C562 R622	G539-A541 PolarHBondContact O-N 3.29Å; G539-T542 PolarHBondContact O-N 3.4Å; G539-C561 PolarHBondContact N-O 3.37Å; G539-C562 WeakPolarHBondContact CA-O 3.43Å; G539-C562 PolarHBondContact N-O 3.25Å; G539-R622 PolarHBondContact O-NH2 2.91Å
540	I	89.6	Confident	94.1	Very high	20 Å²	20	17.5 Å²	17.5	10%	0.103	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.5	179.7	66.3	168.7	0	0	0	113.9	V174 C538 T542 D543 M544 A569	V174-I540 HydrophobicContact CG1-CD1 4.34Å; C538-I540 PolarHBondContact O-N 3.08Å; I540-T542 PolarHBondContact O-N 3.27Å; I540-D543 WeakPolarHBondContact O-CB 3.49Å; I540-D543 PolarHBondContact O-N 3.09Å; I540-D543 VanDerWaalsContact O-N 3.08Å; I540-M544 WeakPolarHBondContact O-CG 3.42Å; I540-M544 PolarHBondContact O-N 3.02Å; I540-A569 HydrophobicContact CD1-CB 4.34Å
541	A	91	Very high	93.9	Very high	17 Å²	17	20.6 Å²	20.6	14%	0.14	11%	0.108	C	C	.	.	H	α-helix	trans	-63.2	-31.4	179.5	0	0	0	0	0	111.8	A537 C538 G539 D543 M544 V545	A537-A541 HydrophobicContact CB-CB 4.3Å; C538-A541 VanDerWaalsContact O-CB 3.22Å; C538-A541 WeakPolarHBondContact O-CB 3.34Å; C538-A541 PolarHBondContact O-N 3.43Å; G539-A541 PolarHBondContact O-N 3.29Å; A541-D543 VanDerWaalsContact C-N 3.32Å; A541-D543 PolarHBondContact O-N 3.14Å; A541-M544 PolarHBondContact O-N 3.15Å; A541-V545 VanDerWaalsContact O-CG2 3.3Å; A541-V545 WeakPolarHBondContact O-CG2 3.49Å; A541-V545 PolarHBondContact O-N 2.99Å
542	T	94.4	Very high	93.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-46.5	172.6	-70.1	0	0	0	0	110.7	A537 G539 I540 M544 V545 L546 I558 P560	A537-T542 WeakPolarHBondContact CB-OG1 3.48Å; A537-T542 PolarHBondContact O-OG1 3.02Å; G539-T542 PolarHBondContact O-N 3.4Å; I540-T542 PolarHBondContact O-N 3.27Å; T542-M544 VanDerWaalsContact C-N 3.33Å; T542-M544 PolarHBondContact O-N 2.82Å; T542-V545 PolarHBondContact O-N 3.36Å; T542-L546 HydrophobicContact CG2-CD1 4.06Å; T542-L546 WeakPolarHBondContact O-CG 3.27Å; T542-L546 PolarHBondContact O-N 3.23Å; T542-I558 HydrophobicContact CG2-CG2 4.05Å; T542-P560 HydrophobicContact CG2-CB 4.01Å; T542-P560 HydrophobicContact CG2-CG 3.83Å; T542-P560 WeakPolarHBondContact OG1-CA 3.34Å; T542-P560 WeakPolarHBondContact OG1-CB 3.49Å
543	D	94.2	Very high	93.6	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-68.2	-35.2	-177.4	-53	-80.1	0	0	0	111.6	I540 A541 E547 F572 F574 R622	I540-D543 WeakPolarHBondContact O-CB 3.49Å; I540-D543 PolarHBondContact O-N 3.09Å; I540-D543 VanDerWaalsContact O-N 3.08Å; A541-D543 VanDerWaalsContact C-N 3.32Å; A541-D543 PolarHBondContact O-N 3.14Å; D543-E547 WeakPolarHBondContact O-CB 3.49Å; D543-E547 PolarHBondContact O-N 2.86Å; D543-F572 HydrophobicContact CB-CD1 4.19Å; D543-F572 HydrophobicContact CB-CE1 4.19Å; D543-F574 HydrophobicContact CB-CZ 4.43Å; D543-R622 IonicContact OD1-CZ 3.74Å; D543-R622 IonicContact OD1-NE 2.94Å; D543-R622 PolarHBondContact OD1-NE 3.13Å; D543-R622 IonicContact OD1-NH2 3.1Å; D543-R622 IonicContact OD2-CZ 3.85Å; D543-R622 IonicContact OD2-NE 3.82Å; D543-R622 IonicContact OD2-NH2 3.84Å; D543-R622 PolarHBondContact OD2-NH2 3.41Å
544	M	92.4	Very high	93.6	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.034	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-48.1	171.5	-67.5	175.6	68.9	0	0	112.3	E173 L522 I540 A541 T542 L546 E547 H548 F572	E173-M544 HydrophobicContact CB-CE 3.97Å; E173-M544 HydrophobicContact CB-SD 3.9Å; E173-M544 HydrophobicContact CG-CE 3.39Å; E173-M544 HydrophobicContact CG-SD 4.02Å; E173-M544 VanDerWaalsContact OE1-CE 3.28Å; E173-M544 WeakPolarHBondContact OE1-CE 3.41Å; L522-M544 HydrophobicContact CB-CE 3.79Å; L522-M544 HydrophobicContact CD1-CB 3.73Å; L522-M544 HydrophobicContact CD1-CE 3.81Å; L522-M544 HydrophobicContact CD1-SD 4.2Å; L522-M544 HydrophobicContact CG-CE 4.2Å; I540-M544 WeakPolarHBondContact O-CG 3.42Å; I540-M544 PolarHBondContact O-N 3.02Å; A541-M544 PolarHBondContact O-N 3.15Å; T542-M544 VanDerWaalsContact C-N 3.33Å; T542-M544 PolarHBondContact O-N 2.82Å; M544-L546 VanDerWaalsContact C-N 3.32Å; M544-L546 PolarHBondContact O-N 3.21Å; M544-E547 PolarHBondContact O-N 2.82Å; M544-H548 PolarHBondContact O-CD2 2.98Å; M544-H548 VanDerWaalsContact O-CD2 3.26Å; M544-H548 PolarHBondContact O-N 3.14Å; M544-F572 HydrophobicContact CB-CZ 4.4Å; M544-F572 HydrophobicContact CG-CD2 4.49Å; M544-F572 HydrophobicContact CG-CE2 3.42Å; M544-F572 VanDerWaalsContact CG-CE2 3.42Å; M544-F572 HydrophobicContact CG-CZ 3.76Å
545	V	95.8	Very high	93.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-40.9	179	175.7	0	0	0	0	110.9	F470 L522 A534 A541 T542 H548 C549 I558	F470-V545 HydrophobicContact CB-CG1 4.17Å; F470-V545 HydrophobicContact CB-CG2 3.48Å; F470-V545 VanDerWaalsContact CB-CG2 3.48Å; F470-V545 HydrophobicContact CD1-CG2 4.43Å; F470-V545 HydrophobicContact CD2-CB 4.49Å; F470-V545 HydrophobicContact CD2-CG1 3.52Å; F470-V545 HydrophobicContact CD2-CG2 4.24Å; F470-V545 HydrophobicContact CE2-CG1 4.06Å; F470-V545 HydrophobicContact CG-CG1 4Å; F470-V545 HydrophobicContact CG-CG2 3.84Å; L522-V545 HydrophobicContact CD1-CG2 4.07Å; A534-V545 HydrophobicContact CB-CG1 4.26Å; A534-V545 HydrophobicContact CB-CG2 4.41Å; A541-V545 VanDerWaalsContact O-CG2 3.3Å; A541-V545 WeakPolarHBondContact O-CG2 3.49Å; A541-V545 PolarHBondContact O-N 2.99Å; T542-V545 PolarHBondContact O-N 3.36Å; V545-H548 PolarHBondContact O-N 2.9Å; V545-C549 PolarHBondContact O-N 2.94Å; V545-C549 PolarHBondContact O-SG 3.4Å; V545-I558 HydrophobicContact CB-CD1 4.13Å; V545-I558 HydrophobicContact CG1-CD1 3.62Å; V545-I558 HydrophobicContact CG1-CG1 3.99Å
546	L	96	Very high	93.7	Very high	11 Å²	11	23.5 Å²	23.5	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-57.9	-49.1	173.6	-78.1	168.1	0	0	0	111.6	T542 M544 H548 C549 I550 F556 I558 R622 L650	T542-L546 HydrophobicContact CG2-CD1 4.06Å; T542-L546 WeakPolarHBondContact O-CG 3.27Å; T542-L546 PolarHBondContact O-N 3.23Å; M544-L546 VanDerWaalsContact C-N 3.32Å; M544-L546 PolarHBondContact O-N 3.21Å; L546-H548 PolarHBondContact O-N 2.84Å; L546-C549 PolarHBondContact O-N 3.17Å; L546-I550 WeakPolarHBondContact O-CB 3.44Å; L546-I550 VanDerWaalsContact O-CG1 3.23Å; L546-I550 WeakPolarHBondContact O-CG1 3.36Å; L546-I550 PolarHBondContact O-N 3.07Å; L546-F556 HydrophobicContact CD2-CD1 4.08Å; L546-F556 HydrophobicContact CD2-CD2 3.69Å; L546-F556 HydrophobicContact CD2-CE1 3.8Å; L546-F556 HydrophobicContact CD2-CE2 3.4Å; L546-F556 VanDerWaalsContact CD2-CE2 3.4Å; L546-F556 HydrophobicContact CD2-CG 4.02Å; L546-F556 HydrophobicContact CD2-CZ 3.44Å; L546-F556 VanDerWaalsContact CD2-CZ 3.44Å; L546-I558 HydrophobicContact CD2-CD1 3.65Å; L546-I558 HydrophobicContact CG-CD1 3.7Å; L546-R622 HydrophobicContact CD1-CB 3.94Å; L546-R622 HydrophobicContact CD1-CG 4.16Å; L546-L650 HydrophobicContact CD1-CD1 4.45Å
547	E	94.3	Very high	94.1	Very high	47 Å²	47	20.7 Å²	20.7	22%	0.22	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-45.2	177.7	-177.7	-177	-139.3	0	0	111.9	D543 M544 C549 I550 Q551 K571 F572	D543-E547 WeakPolarHBondContact O-CB 3.49Å; D543-E547 PolarHBondContact O-N 2.86Å; M544-E547 PolarHBondContact O-N 2.82Å; E547-C549 VanDerWaalsContact C-N 3.34Å; E547-C549 PolarHBondContact O-N 3.34Å; E547-I550 PolarHBondContact O-N 3.09Å; E547-Q551 HydrophobicContact CG-CG 4.33Å; E547-Q551 WeakPolarHBondContact O-CB 3.49Å; E547-Q551 VanDerWaalsContact O-CG 3.27Å; E547-Q551 WeakPolarHBondContact O-CG 3.5Å; E547-Q551 PolarHBondContact O-N 3.28Å; E547-Q551 PolarHBondContact OE1-NE2 3.04Å; E547-K571 IonicContact OE1-NZ 3.55Å; E547-K571 WeakPolarHBondContact OE2-CE 3.18Å; E547-K571 IonicContact OE2-NZ 3.61Å; E547-K571 PolarHBondContact OE2-NZ 3.21Å; E547-F572 HydrophobicContact CB-CE1 4.42Å; E547-F572 WeakPolarHBondContact OE2-CZ 3.19Å
548	H	94.9	Very high	94.7	Very high	14 Å²	14	20.7 Å²	20.7	7%	0.065	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-44.1	175.8	-89.8	-86.9	0	0	0	112	F470 L522 D523 F525 M544 V545 L546 A552	F470-H548 HydrophobicContact CZ-CB 4.27Å; L522-H548 PolarHBondContact O-CE1 3.32Å; L522-H548 PolarHBondContact O-NE2 3.38Å; D523-H548 IonicContact OD1-NE2 2.66Å; D523-H548 PolarHBondContact OD1-NE2 3.29Å; D523-H548 VanDerWaalsContact OD1-NE2 3.1Å; F525-H548 PolarHBondContact O-CE1 3.38Å; M544-H548 PolarHBondContact O-CD2 2.98Å; M544-H548 VanDerWaalsContact O-CD2 3.26Å; M544-H548 PolarHBondContact O-N 3.14Å; V545-H548 PolarHBondContact O-N 2.9Å; L546-H548 PolarHBondContact O-N 2.84Å; H548-A552 VanDerWaalsContact O-CB 3.29Å; H548-A552 WeakPolarHBondContact O-CB 3.34Å; H548-A552 PolarHBondContact O-N 2.97Å
549	C	97.2	Very high	95	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-44	177.6	-62.5	0	0	0	0	111.6	V545 L546 E547 A552 G553 A554 F556 Y631	V545-C549 PolarHBondContact O-N 2.94Å; V545-C549 PolarHBondContact O-SG 3.4Å; L546-C549 PolarHBondContact O-N 3.17Å; E547-C549 VanDerWaalsContact C-N 3.34Å; E547-C549 PolarHBondContact O-N 3.34Å; C549-A552 PolarHBondContact O-N 3.3Å; C549-G553 PolarHBondContact O-N 3.48Å; C549-A554 HydrophobicContact CB-CB 4.43Å; C549-A554 PolarHBondContact O-N 3.28Å; C549-F556 HydrophobicContact CB-CB 3.89Å; C549-F556 HydrophobicContact CB-CD1 4.03Å; C549-F556 HydrophobicContact CB-CG 4.41Å; C549-Y631 PolarHBondContact O-OH 2.87Å; C549-Y631 VanDerWaalsContact O-OH 3.13Å
550	I	95.6	Very high	95.2	Very high	35 Å²	35	17.5 Å²	17.5	18%	0.179	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-48.5	178.2	-69.2	165.2	0	0	0	110.6	L546 E547 A552 G553 A626 H629 Y631	L546-I550 WeakPolarHBondContact O-CB 3.44Å; L546-I550 VanDerWaalsContact O-CG1 3.23Å; L546-I550 WeakPolarHBondContact O-CG1 3.36Å; L546-I550 PolarHBondContact O-N 3.07Å; E547-I550 PolarHBondContact O-N 3.09Å; I550-A552 VanDerWaalsContact C-N 3.3Å; I550-A552 PolarHBondContact O-N 3.31Å; I550-G553 PolarHBondContact O-N 2.77Å; I550-G553 VanDerWaalsContact O-N 3.1Å; I550-A626 HydrophobicContact CD1-CB 3.87Å; I550-H629 HydrophobicContact CG2-CB 3.94Å; I550-Y631 WeakPolarHBondContact CA-OH 3.34Å; I550-Y631 HydrophobicContact CB-CE2 4.4Å; I550-Y631 HydrophobicContact CG1-CD2 4.45Å; I550-Y631 HydrophobicContact CG1-CE2 4.06Å; I550-Y631 HydrophobicContact CG2-CE2 4.36Å
551	Q	93.8	Very high	95.3	Very high	133 Å²	133	17 Å²	17	62%	0.621	10%	0.101	S	C	*	.	H	α-helix	trans	-61.9	-36.7	178.4	-73	177.6	4.5	0	0	112.5	E547 G553	E547-Q551 HydrophobicContact CG-CG 4.33Å; E547-Q551 WeakPolarHBondContact O-CB 3.49Å; E547-Q551 VanDerWaalsContact O-CG 3.27Å; E547-Q551 WeakPolarHBondContact O-CG 3.5Å; E547-Q551 PolarHBondContact O-N 3.28Å; E547-Q551 PolarHBondContact OE1-NE2 3.04Å; Q551-G553 VanDerWaalsContact C-N 3.3Å; Q551-G553 PolarHBondContact O-N 2.79Å
552	A	94.8	Very high	95.3	Very high	45 Å²	45	18.1 Å²	18.1	37%	0.372	11%	0.107	S	C	.	.	H	α-helix	trans	-78.4	-9.8	177	0	0	0	0	0	113.9	F529 H548 C549 I550 A554	F529-A552 HydrophobicContact CD1-CB 4Å; F529-A552 HydrophobicContact CE1-CB 3.47Å; F529-A552 VanDerWaalsContact CE1-CB 3.47Å; F529-A552 HydrophobicContact CE2-CB 4.36Å; F529-A552 HydrophobicContact CZ-CB 3.67Å; H548-A552 VanDerWaalsContact O-CB 3.29Å; H548-A552 WeakPolarHBondContact O-CB 3.34Å; H548-A552 PolarHBondContact O-N 2.97Å; C549-A552 PolarHBondContact O-N 3.3Å; I550-A552 VanDerWaalsContact C-N 3.3Å; I550-A552 PolarHBondContact O-N 3.31Å; A552-A554 HydrophobicContact CB-CB 4.04Å; A552-A554 PolarHBondContact O-N 3.47Å
553	G	95.8	Very high	95.2	Very high	32 Å²	32	18.1 Å²	18.1	33%	0.33	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	25.6	-168.8	0	0	0	0	0	112.8	C549 I550 Q551 Y631 P654	C549-G553 PolarHBondContact O-N 3.48Å; I550-G553 PolarHBondContact O-N 2.77Å; I550-G553 VanDerWaalsContact O-N 3.1Å; Q551-G553 VanDerWaalsContact C-N 3.3Å; Q551-G553 PolarHBondContact O-N 2.79Å; G553-Y631 VanDerWaalsContact C-OH 3.31Å; G553-Y631 WeakPolarHBondContact CA-OH 3.34Å; G553-P654 WeakPolarHBondContact O-CG 3.42Å
554	A	97.2	Very high	95	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	12%	0.119	C	C	.	.			trans	-92.8	146.4	-174.2	0	0	0	0	0	111.9	F529 Q530 C549 A552 Y631	F529-A554 HydrophobicContact CD2-CB 3.6Å; F529-A554 HydrophobicContact CE2-CB 3.37Å; F529-A554 HydrophobicContact CG-CB 4.46Å; F529-A554 HydrophobicContact CZ-CB 4.08Å; Q530-A554 WeakPolarHBondContact O-CA 3.43Å; C549-A554 HydrophobicContact CB-CB 4.43Å; C549-A554 PolarHBondContact O-N 3.28Å; A552-A554 HydrophobicContact CB-CB 4.04Å; A552-A554 PolarHBondContact O-N 3.47Å; A554-Y631 PolarHBondContact N-OH 3.22Å; A554-Y631 WeakPolarHBondContact O-CE1 3.38Å; A554-Y631 PolarHBondContact O-OH 3.27Å
555	A	98.2	Very high	94.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	152.6	167.4	0	0	0	0	0	110.3	L460 Q530 I531 G532 G652	L460-A555 HydrophobicContact CD1-CB 3.91Å; Q530-A555 PolarHBondContact O-N 3.04Å; I531-A555 CarbonylContact C-O 3.57Å; I531-A555 WeakPolarHBondContact CA-O 3.3Å; G532-A555 PolarHBondContact N-O 3.01Å; A555-G652 VanDerWaalsContact CA-O 3.3Å; A555-G652 WeakPolarHBondContact CA-O 3.47Å; A555-G652 WeakPolarHBondContact CB-O 3.43Å
556	F	98.2	Very high	94.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.8	178.9	61.6	-102.8	0	0	0	113.2	G532 L546 C549 I558 A626 Y631 V633 L650 M651 G652	G532-F556 CarbonylContact O-C 3.58Å; G532-F556 VanDerWaalsContact O-CA 3.27Å; G532-F556 WeakPolarHBondContact O-CA 3.49Å; L546-F556 HydrophobicContact CD2-CD1 4.08Å; L546-F556 HydrophobicContact CD2-CD2 3.69Å; L546-F556 HydrophobicContact CD2-CE1 3.8Å; L546-F556 HydrophobicContact CD2-CE2 3.4Å; L546-F556 VanDerWaalsContact CD2-CE2 3.4Å; L546-F556 HydrophobicContact CD2-CG 4.02Å; L546-F556 HydrophobicContact CD2-CZ 3.44Å; L546-F556 VanDerWaalsContact CD2-CZ 3.44Å; C549-F556 HydrophobicContact CB-CB 3.89Å; C549-F556 HydrophobicContact CB-CD1 4.03Å; C549-F556 HydrophobicContact CB-CG 4.41Å; F556-I558 HydrophobicContact CB-CD1 3.99Å; F556-I558 HydrophobicContact CB-CG1 4.21Å; F556-I558 HydrophobicContact CD2-CD1 3.99Å; F556-I558 HydrophobicContact CD2-CG1 4.34Å; F556-I558 HydrophobicContact CG-CD1 4.19Å; F556-A626 HydrophobicContact CE1-CB 4.37Å; F556-A626 HydrophobicContact CZ-CB 4.19Å; F556-Y631 HydrophobicContact CD1-CD1 4.19Å; F556-Y631 HydrophobicContact CD1-CE1 4.06Å; F556-Y631 AromaticContact CE1-CD1 3.68Å; F556-Y631 HydrophobicContact CE1-CD1 3.68Å; F556-Y631 AromaticContact CE1-CE1 3.97Å; F556-Y631 HydrophobicContact CE1-CE1 3.97Å; F556-Y631 HydrophobicContact CE1-CG 4.43Å; F556-V633 HydrophobicContact CE2-CG1 4.15Å; F556-V633 HydrophobicContact CZ-CG1 4.04Å; F556-V633 HydrophobicContact CZ-CG2 3.9Å; F556-L650 HydrophobicContact CE2-CB 4.2Å; F556-M651 CarbonylContact O-C 3.56Å; F556-M651 VanDerWaalsContact O-CA 3.3Å; F556-M651 WeakPolarHBondContact O-CA 3.24Å; F556-G652 VanDerWaalsContact CE2-N 3.29Å; F556-G652 VanDerWaalsContact CZ-CA 3.44Å; F556-G652 PolarHBondContact N-O 3.47Å; F556-G652 PolarHBondContact O-N 3.4Å
557	I	97.8	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	101.7	170.3	-53.7	78.6	0	0	0	107.9	L453 M456 V457 L460 I531 G532 V533 A534 M649 L650	L453-I557 HydrophobicContact CG-CG2 4.14Å; M456-I557 HydrophobicContact CB-CG1 3.87Å; M456-I557 HydrophobicContact CB-CG2 4.09Å; M456-I557 HydrophobicContact CG-CG2 4.49Å; V457-I557 HydrophobicContact CG2-CD1 3.85Å; V457-I557 HydrophobicContact CG2-CG1 4.17Å; L460-I557 HydrophobicContact CD1-CD1 3.72Å; L460-I557 HydrophobicContact CD1-CG1 4.41Å; I531-I557 HydrophobicContact CG2-CD1 3.49Å; I531-I557 VanDerWaalsContact CG2-CD1 3.49Å; G532-I557 PolarHBondContact O-N 2.65Å; V533-I557 VanDerWaalsContact CA-O 3.32Å; V533-I557 WeakPolarHBondContact CA-O 3.3Å; V533-I557 HydrophobicContact CG2-CD1 4.47Å; A534-I557 PolarHBondContact N-O 2.91Å; I557-M649 HydrophobicContact CG2-CG 4.02Å; I557-M649 HydrophobicContact CG2-SD 3.61Å; I557-L650 WeakPolarHBondContact CA-O 3.39Å
558	I	97.8	Very high	92	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.1	-170.3	-58	167.4	0	0	0	109.6	A534 A537 T542 V545 L546 F556 P560 M649 L650	A534-I558 HydrophobicContact CB-CG1 4.43Å; A534-I558 HydrophobicContact CB-CG2 4.22Å; A534-I558 CarbonylContact O-C 3.57Å; A534-I558 WeakPolarHBondContact O-CA 3.17Å; A537-I558 HydrophobicContact CB-CG2 4.35Å; T542-I558 HydrophobicContact CG2-CG2 4.05Å; V545-I558 HydrophobicContact CB-CD1 4.13Å; V545-I558 HydrophobicContact CG1-CD1 3.62Å; V545-I558 HydrophobicContact CG1-CG1 3.99Å; L546-I558 HydrophobicContact CD2-CD1 3.65Å; L546-I558 HydrophobicContact CG-CD1 3.7Å; F556-I558 HydrophobicContact CB-CD1 3.99Å; F556-I558 HydrophobicContact CB-CG1 4.21Å; F556-I558 HydrophobicContact CD2-CD1 3.99Å; F556-I558 HydrophobicContact CD2-CG1 4.34Å; F556-I558 HydrophobicContact CG-CD1 4.19Å; I558-P560 HydrophobicContact CG2-CG 4.46Å; I558-P560 WeakPolarHBondContact O-CD 3.48Å; I558-M649 CarbonylContact O-C 3.41Å; I558-M649 WeakPolarHBondContact O-CA 3.44Å; I558-L650 PolarHBondContact N-O 3.15Å; I558-L650 PolarHBondContact O-N 2.99Å
559	S	96.3	Very high	90.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	104.2	167.7	-175.3	0	0	0	0	110	A534 H536 A537 M638 N648	A534-S559 PolarHBondContact O-N 3.35Å; H536-S559 WeakPolarHBondContact CA-O 3.32Å; H536-S559 PolarHBondContact N-O 3.48Å; A537-S559 PolarHBondContact N-O 2.95Å; S559-M638 WeakPolarHBondContact OG-CE 3.48Å; S559-N648 PolarHBondContact OG-O 2.78Å
560	P	94.6	Very high	89	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	151.5	179.8	-17.2	32.6	0	0	0	112	T542 I558 Y563 D619 L650	T542-P560 HydrophobicContact CG2-CB 4.01Å; T542-P560 HydrophobicContact CG2-CG 3.83Å; T542-P560 WeakPolarHBondContact OG1-CA 3.34Å; T542-P560 WeakPolarHBondContact OG1-CB 3.49Å; I558-P560 HydrophobicContact CG2-CG 4.46Å; I558-P560 WeakPolarHBondContact O-CD 3.48Å; P560-Y563 HydrophobicContact CB-CE1 4.19Å; P560-Y563 HydrophobicContact CB-CE2 4.36Å; P560-D619 WeakPolarHBondContact CG-OD1 3.49Å; P560-L650 HydrophobicContact CG-CD1 3.83Å; P560-L650 HydrophobicContact CG-CG 4.45Å
561	C	91.3	Very high	87.9	Confident	11 Å²	11	40.1 Å²	40.1	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	172.3	169.4	69.6	0	0	0	0	111.4	H536 C538 G539 Y563 K646	H536-C561 WeakPolarHBondContact CA-SG 3.38Å; H536-C561 HydrophobicContact CB-CB 4.42Å; H536-C561 WeakPolarHBondContact CB-SG 3.47Å; H536-C561 PolarHBondContact O-SG 3.45Å; C538-C561 WeakPolarHBondContact CA-O 3.27Å; C538-C561 PolarHBondContact SG-SG 2.74Å; G539-C561 PolarHBondContact N-O 3.37Å; C561-Y563 PolarHBondContact O-N 2.89Å; C561-K646 HydrophobicContact CB-CB 4.42Å; C561-K646 HydrophobicContact CB-CG 4.44Å
562	C	91.6	Very high	87.3	Confident	39 Å²	39	34.1 Å²	34.1	26%	0.264	20%	0.199	S	C	.	.			trans	56.5	50.4	178.4	-65.6	0	0	0	0	111.8	C538 G539 G564 F565 D597	C538-C562 HydrophobicContact CB-CB 3.99Å; G539-C562 WeakPolarHBondContact CA-O 3.43Å; G539-C562 PolarHBondContact N-O 3.25Å; C562-G564 PolarHBondContact O-N 2.82Å; C562-F565 HydrophobicContact CB-CB 4.4Å; C562-F565 HydrophobicContact CB-CD2 3.69Å; C562-F565 HydrophobicContact CB-CE2 4.44Å; C562-F565 HydrophobicContact CB-CG 4.43Å; C562-F565 WeakPolarHBondContact O-CB 3.47Å; C562-F565 PolarHBondContact O-N 3.23Å; C562-D597 WeakPolarHBondContact CA-OD1 3.47Å
563	Y	92.5	Very high	86.9	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.3	-33.3	-176.1	-67.6	-103	0	0	0	111.4	P560 C561 F565 I566 C593 A596 D597 M615 V618 D619 K646	P560-Y563 HydrophobicContact CB-CE1 4.19Å; P560-Y563 HydrophobicContact CB-CE2 4.36Å; C561-Y563 PolarHBondContact O-N 2.89Å; Y563-F565 PolarHBondContact O-N 3.46Å; Y563-I566 HydrophobicContact CD1-CD1 4.41Å; Y563-I566 VanDerWaalsContact O-CB 3.3Å; Y563-I566 WeakPolarHBondContact O-CB 3.47Å; Y563-I566 WeakPolarHBondContact O-CD1 3.07Å; Y563-I566 WeakPolarHBondContact O-CG1 3.42Å; Y563-I566 PolarHBondContact O-N 2.59Å; Y563-C593 CarbonylContact C-O 3.6Å; Y563-C593 VanDerWaalsContact C-O 3.23Å; Y563-C593 WeakPolarHBondContact CB-O 3.49Å; Y563-C593 WeakPolarHBondContact O-CB 3.48Å; Y563-A596 HydrophobicContact CD1-CB 4.03Å; Y563-A596 HydrophobicContact CD2-CB 4.33Å; Y563-A596 HydrophobicContact CG-CB 3.73Å; Y563-D597 PolarHBondContact N-OD1 3.11Å; Y563-D597 PolarHBondContact N-OD2 3.22Å; Y563-M615 HydrophobicContact CD2-CG 4.05Å; Y563-M615 HydrophobicContact CE1-CB 4.37Å; Y563-M615 HydrophobicContact CE1-CG 4.36Å; Y563-M615 HydrophobicContact CE2-CB 4.44Å; Y563-M615 HydrophobicContact CE2-CE 3.66Å; Y563-M615 HydrophobicContact CE2-CG 3.75Å; Y563-M615 HydrophobicContact CE2-SD 4.13Å; Y563-M615 WeakPolarHBondContact OH-CE 3.48Å; Y563-V618 HydrophobicContact CD1-CB 4.05Å; Y563-V618 HydrophobicContact CD1-CG1 3.84Å; Y563-V618 HydrophobicContact CE1-CB 4.28Å; Y563-V618 HydrophobicContact CE1-CG1 4.2Å; Y563-D619 VanDerWaalsContact CE1-OD1 3.29Å; Y563-D619 WeakPolarHBondContact CE1-OD1 3.09Å; Y563-D619 PolarHBondContact OH-OD1 2.83Å; Y563-D619 PolarHBondContact OH-OD2 3.09Å; Y563-K646 HydrophobicContact CD2-CD 4.42Å; Y563-K646 HydrophobicContact CE2-CD 4.24Å
564	G	88.7	Confident	86.6	Confident	26 Å²	26	35.3 Å²	35.3	27%	0.268	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-69.3	-10.6	178	0	0	0	0	0	114.1	C562 C593 D597	C562-G564 PolarHBondContact O-N 2.82Å; G564-C593 WeakPolarHBondContact CA-O 3.42Å; G564-C593 PolarHBondContact N-O 3.38Å; G564-C593 VanDerWaalsContact N-O 3.12Å; G564-D597 WeakPolarHBondContact CA-OD2 3.36Å; G564-D597 PolarHBondContact N-OD2 3.1Å
565	F	85.6	Confident	86.5	Confident	140 Å²	140	35.5 Å²	35.5	61%	0.614	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-92.6	0.1	172.4	-70.3	-87.5	0	0	0	113.3	C562 Y563 Q567	C562-F565 HydrophobicContact CB-CB 4.4Å; C562-F565 HydrophobicContact CB-CD2 3.69Å; C562-F565 HydrophobicContact CB-CE2 4.44Å; C562-F565 HydrophobicContact CB-CG 4.43Å; C562-F565 WeakPolarHBondContact O-CB 3.47Å; C562-F565 PolarHBondContact O-N 3.23Å; Y563-F565 PolarHBondContact O-N 3.46Å; F565-Q567 PolarHBondContact O-N 3.14Å
566	I	85.8	Confident	86.2	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.211	C	C	.	.			trans	-61	129.2	167.7	-64.2	166.9	0	0	0	107.5	Y563 F574 M590 C593 V618 R622	Y563-I566 HydrophobicContact CD1-CD1 4.41Å; Y563-I566 VanDerWaalsContact O-CB 3.3Å; Y563-I566 WeakPolarHBondContact O-CB 3.47Å; Y563-I566 WeakPolarHBondContact O-CD1 3.07Å; Y563-I566 WeakPolarHBondContact O-CG1 3.42Å; Y563-I566 PolarHBondContact O-N 2.59Å; I566-F574 HydrophobicContact CG2-CD1 4.23Å; I566-F574 HydrophobicContact CG2-CD2 3.79Å; I566-F574 HydrophobicContact CG2-CE1 3.94Å; I566-F574 HydrophobicContact CG2-CE2 3.47Å; I566-F574 VanDerWaalsContact CG2-CE2 3.47Å; I566-F574 HydrophobicContact CG2-CG 4.17Å; I566-F574 HydrophobicContact CG2-CZ 3.56Å; I566-M590 HydrophobicContact CG2-SD 4.46Å; I566-M590 VanDerWaalsContact O-CE 3.23Å; I566-M590 WeakPolarHBondContact O-CE 3.35Å; I566-C593 HydrophobicContact CB-CB 4.29Å; I566-C593 HydrophobicContact CD1-CB 4.3Å; I566-V618 HydrophobicContact CD1-CG1 3.88Å; I566-R622 VanDerWaalsContact CD1-NH2 3.33Å
567	Q	77.7	Confident	86	Confident	119 Å²	119	39 Å²	39	56%	0.556	21%	0.212	S	C	*	.			trans	-138	149	178.3	-64.6	178.7	16.6	0	0	108.3	F565 A569	F565-Q567 PolarHBondContact O-N 3.14Å; Q567-A569 PolarHBondContact O-N 2.66Å; Q567-A569 VanDerWaalsContact O-N 3.1Å
568	N	67.6	Low	85.8	Confident	82 Å²	82	45.9 Å²	45.9	44%	0.439	24%	0.242	S	C	.	.			trans	-63.2	115.6	167.5	-73.1	-23.9	0	0	0	107.8	F574	N568-F574 PolarHBondContact OD1-N 2.97Å
569	A	65.1	Low	85.6	Confident	28 Å²	28	50.3 Å²	50.3	23%	0.231	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-108.5	164.1	175.6	0	0	0	0	0	108.4	I540 Q567 K571 F572	I540-A569 HydrophobicContact CD1-CB 4.34Å; Q567-A569 PolarHBondContact O-N 2.66Å; Q567-A569 VanDerWaalsContact O-N 3.1Å; A569-K571 PolarHBondContact O-N 2.69Å; A569-F572 PolarHBondContact N-O 2.9Å; A569-F572 CarbonylContact O-C 3.52Å; A569-F572 PolarHBondContact O-N 3.13Å
570	V	63.8	Low	85.6	Confident	107 Å²	107	50.3 Å²	50.3	65%	0.648	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.8	178.5	179.8	0	0	0	0	111.9
571	K	71.6	Confident	85.6	Confident	77 Å²	77	55.2 Å²	55.2	34%	0.335	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-23.3	-178.9	-158.7	-178	-169.2	-167	0	114	D523 E547 A569	D523-K571 IonicContact OD1-NZ 3.45Å; D523-K571 PolarHBondContact OD1-NZ 3.15Å; D523-K571 IonicContact OD2-NZ 2.74Å; D523-K571 PolarHBondContact OD2-NZ 3Å; E547-K571 IonicContact OE1-NZ 3.55Å; E547-K571 WeakPolarHBondContact OE2-CE 3.18Å; E547-K571 IonicContact OE2-NZ 3.61Å; E547-K571 PolarHBondContact OE2-NZ 3.21Å; A569-K571 PolarHBondContact O-N 2.69Å
572	F	82.1	Confident	85.8	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.026	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-131.2	119.7	-170.7	-60.6	-73.3	0	0	0	111.7	D543 M544 E547 A569 F574	D543-F572 HydrophobicContact CB-CD1 4.19Å; D543-F572 HydrophobicContact CB-CE1 4.19Å; M544-F572 HydrophobicContact CB-CZ 4.4Å; M544-F572 HydrophobicContact CG-CD2 4.49Å; M544-F572 HydrophobicContact CG-CE2 3.42Å; M544-F572 VanDerWaalsContact CG-CE2 3.42Å; M544-F572 HydrophobicContact CG-CZ 3.76Å; E547-F572 HydrophobicContact CB-CE1 4.42Å; E547-F572 WeakPolarHBondContact OE2-CZ 3.19Å; A569-F572 PolarHBondContact N-O 2.9Å; A569-F572 CarbonylContact O-C 3.52Å; A569-F572 PolarHBondContact O-N 3.13Å; F572-F574 HydrophobicContact CB-CE2 3.95Å; F572-F574 HydrophobicContact CB-CZ 4.23Å
573	T	86	Confident	85.9	Confident	98 Å²	98	59.7 Å²	59.7	60%	0.601	30%	0.304	S	S	*	.			trans	-104.4	147.4	168.2	53.9	0	0	0	0	109.9	K576	T573-K576 VanDerWaalsContact O-CD 3.24Å; T573-K576 WeakPolarHBondContact O-CD 3.5Å
574	F	90.2	Very high	85.9	Confident	4 Å²	4	60 Å²	60	2%	0.018	31%	0.305	C	S	.	.	S	Bend	trans	-126.1	144.9	177	-62.4	-89.1	0	0	0	110.5	D543 I566 N568 F572 K576 S586 H589	D543-F574 HydrophobicContact CB-CZ 4.43Å; I566-F574 HydrophobicContact CG2-CD1 4.23Å; I566-F574 HydrophobicContact CG2-CD2 3.79Å; I566-F574 HydrophobicContact CG2-CE1 3.94Å; I566-F574 HydrophobicContact CG2-CE2 3.47Å; I566-F574 VanDerWaalsContact CG2-CE2 3.47Å; I566-F574 HydrophobicContact CG2-CG 4.17Å; I566-F574 HydrophobicContact CG2-CZ 3.56Å; N568-F574 PolarHBondContact OD1-N 2.97Å; F572-F574 HydrophobicContact CB-CE2 3.95Å; F572-F574 HydrophobicContact CB-CZ 4.23Å; F574-K576 HydrophobicContact CD1-CD 4.07Å; F574-K576 HydrophobicContact CD1-CG 3.67Å; F574-K576 HydrophobicContact CE1-CD 3.99Å; F574-K576 HydrophobicContact CE1-CG 3.78Å; F574-S586 WeakPolarHBondContact O-CA 3.43Å; F574-S586 VanDerWaalsContact O-CB 3.3Å; F574-S586 WeakPolarHBondContact O-CB 3.32Å; F574-S586 PolarHBondContact O-OG 3.14Å; F574-H589 WeakPolarHBondContact CB-ND1 3.44Å; F574-H589 AromaticContact CD1-CE1 3.78Å
575	P	93.9	Very high	86.1	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.032	32%	0.315	C	S	.	.			cis	-68.5	161.6	-0.1	-10.6	23.2	0	0	0	115.1	F580 Q581 L584 H589	P575-F580 HydrophobicContact CB-CB 3.43Å; P575-F580 VanDerWaalsContact CB-CB 3.43Å; P575-F580 HydrophobicContact CB-CG 4.44Å; P575-F580 HydrophobicContact CG-CB 4.05Å; P575-Q581 HydrophobicContact CB-CG 4.26Å; P575-Q581 WeakPolarHBondContact O-CG 3.47Å; P575-Q581 PolarHBondContact O-NE2 3.43Å; P575-L584 HydrophobicContact CG-CB 4.1Å; P575-H589 HydrophobicContact CG-CB 3.92Å
576	K	92.5	Very high	86.3	Confident	69 Å²	69	58.2 Å²	58.2	30%	0.3	30%	0.303	S	S	.	.			trans	-92.9	-42.2	-172.4	-66.5	-72.4	-71.4	170.2	0	113.4	T573 F574 Q581 D621 A625	T573-K576 VanDerWaalsContact O-CD 3.24Å; T573-K576 WeakPolarHBondContact O-CD 3.5Å; F574-K576 HydrophobicContact CD1-CD 4.07Å; F574-K576 HydrophobicContact CD1-CG 3.67Å; F574-K576 HydrophobicContact CE1-CD 3.99Å; F574-K576 HydrophobicContact CE1-CG 3.78Å; K576-Q581 PolarHBondContact O-NE2 2.95Å; K576-D621 WeakPolarHBondContact CB-OD2 3.34Å; K576-D621 PolarHBondContact N-OD1 3.19Å; K576-D621 PolarHBondContact N-OD2 3.17Å; K576-A625 HydrophobicContact CB-CB 3.69Å
577	S	94.4	Very high	86.5	Confident	5 Å²	5	63.1 Å²	63.1	4%	0.035	32%	0.324	C	S	.	.	S	Bend	trans	-87.5	149.4	-178.2	69.3	0	0	0	0	111.4	M579 F580 Q581 D621	S577-M579 VanDerWaalsContact C-N 3.31Å; S577-M579 PolarHBondContact O-N 3.42Å; S577-F580 PolarHBondContact O-N 2.85Å; S577-F580 VanDerWaalsContact OG-CD2 3.22Å; S577-F580 WeakPolarHBondContact OG-CD2 3.38Å; S577-F580 PolarHBondContact OG-N 3.35Å; S577-Q581 WeakPolarHBondContact O-CG 3.38Å; S577-Q581 PolarHBondContact O-N 3.07Å; S577-D621 VanDerWaalsContact CB-OD1 3.23Å; S577-D621 WeakPolarHBondContact CB-OD1 3.45Å; S577-D621 PolarHBondContact N-OD1 2.95Å; S577-D621 PolarHBondContact OG-OD1 2.95Å
578	K	93.4	Very high	87.2	Confident	145 Å²	145	59.6 Å²	59.6	63%	0.63	31%	0.308	S	S	*	.	H	α-helix	trans	-57.2	-43.2	-179	-170.9	-179.6	177.6	-170	0	112.3	F580 Q581 E582	K578-F580 PolarHBondContact O-N 2.95Å; K578-Q581 PolarHBondContact O-N 3.13Å; K578-Q581 VanDerWaalsContact O-N 3.17Å; K578-E582 WeakPolarHBondContact CE-OE1 3.41Å; K578-E582 IonicContact NZ-OE1 2.86Å; K578-E582 WeakPolarHBondContact O-CG 3.34Å; K578-E582 PolarHBondContact O-N 3.12Å
579	M	92.9	Very high	88.5	Confident	92 Å²	92	55.7 Å²	55.7	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-43.6	178.3	-70.2	-63.5	-63.7	0	0	112.4	I408 S577 T583 W624	I408-M579 HydrophobicContact CD1-CB 4.29Å; S577-M579 VanDerWaalsContact C-N 3.31Å; S577-M579 PolarHBondContact O-N 3.42Å; M579-T583 WeakPolarHBondContact O-CB 3.44Å; M579-T583 PolarHBondContact O-N 3.4Å; M579-T583 PolarHBondContact O-OG1 2.84Å; M579-W624 HydrophobicContact CB-CE3 4.05Å; M579-W624 HydrophobicContact CB-CZ3 3.84Å; M579-W624 HydrophobicContact CG-CE3 4.43Å; M579-W624 HydrophobicContact CG-CZ3 4.28Å
580	F	95.8	Very high	89.8	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-72	-35.6	176.2	-84.1	-109.2	0	0	0	112	L403 I408 P575 S577 K578 E582 T583 L584 L617 L620 D621 W624	L403-F580 HydrophobicContact CD1-CE1 3.94Å; L403-F580 HydrophobicContact CD2-CD1 3.94Å; L403-F580 HydrophobicContact CD2-CE1 3.83Å; L403-F580 HydrophobicContact CD2-CZ 4.37Å; I408-F580 HydrophobicContact CD1-CD2 4.26Å; I408-F580 HydrophobicContact CD1-CE2 4.44Å; I408-F580 HydrophobicContact CG2-CD2 4.33Å; I408-F580 HydrophobicContact CG2-CE1 4.33Å; I408-F580 HydrophobicContact CG2-CE2 3.48Å; I408-F580 VanDerWaalsContact CG2-CE2 3.48Å; I408-F580 HydrophobicContact CG2-CZ 3.48Å; I408-F580 VanDerWaalsContact CG2-CZ 3.48Å; P575-F580 HydrophobicContact CB-CB 3.43Å; P575-F580 VanDerWaalsContact CB-CB 3.43Å; P575-F580 HydrophobicContact CB-CG 4.44Å; P575-F580 HydrophobicContact CG-CB 4.05Å; S577-F580 PolarHBondContact O-N 2.85Å; S577-F580 VanDerWaalsContact OG-CD2 3.22Å; S577-F580 WeakPolarHBondContact OG-CD2 3.38Å; S577-F580 PolarHBondContact OG-N 3.35Å; K578-F580 PolarHBondContact O-N 2.95Å; F580-E582 VanDerWaalsContact C-N 3.32Å; F580-E582 PolarHBondContact O-N 3.16Å; F580-T583 PolarHBondContact O-N 3.3Å; F580-L584 HydrophobicContact CD1-CD1 4.09Å; F580-L584 WeakPolarHBondContact O-CA 3.3Å; F580-L584 WeakPolarHBondContact O-CB 3.36Å; F580-L584 PolarHBondContact O-N 2.87Å; F580-L617 HydrophobicContact CZ-CD2 4.48Å; F580-L617 VanDerWaalsContact CZ-O 3.31Å; F580-L617 WeakPolarHBondContact CZ-O 3.25Å; F580-L620 HydrophobicContact CE2-CD2 4.48Å; F580-D621 WeakPolarHBondContact CB-OD1 3.33Å; F580-D621 HydrophobicContact CD1-CB 4.06Å; F580-D621 HydrophobicContact CD2-CB 3.96Å; F580-D621 HydrophobicContact CE1-CB 4.08Å; F580-D621 HydrophobicContact CE2-CB 3.96Å; F580-D621 HydrophobicContact CG-CB 3.99Å; F580-D621 WeakPolarHBondContact CG-OD1 3.5Å; F580-D621 HydrophobicContact CZ-CB 4.02Å; F580-W624 AromaticContact CD2-CE3 3.88Å; F580-W624 HydrophobicContact CD2-CE3 3.88Å; F580-W624 AromaticContact CD2-CZ3 3.92Å; F580-W624 HydrophobicContact CD2-CZ3 3.92Å; F580-W624 AromaticContact CE2-CE3 3.77Å; F580-W624 HydrophobicContact CE2-CE3 3.77Å; F580-W624 AromaticContact CE2-CZ3 3.65Å; F580-W624 HydrophobicContact CE2-CZ3 3.65Å
581	Q	94.6	Very high	91.1	Very high	103 Å²	103	52 Å²	52	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-36.8	176	-72.4	171.6	0.5	0	0	112.4	P575 K576 S577 K578 T583	P575-Q581 HydrophobicContact CB-CG 4.26Å; P575-Q581 WeakPolarHBondContact O-CG 3.47Å; P575-Q581 PolarHBondContact O-NE2 3.43Å; K576-Q581 PolarHBondContact O-NE2 2.95Å; S577-Q581 WeakPolarHBondContact O-CG 3.38Å; S577-Q581 PolarHBondContact O-N 3.07Å; K578-Q581 PolarHBondContact O-N 3.13Å; K578-Q581 VanDerWaalsContact O-N 3.17Å; Q581-T583 VanDerWaalsContact C-N 3.33Å
582	E	95.1	Very high	92.1	Very high	131 Å²	131	48.3 Å²	48.3	61%	0.612	24%	0.243	S	C	*	.	H	α-helix	trans	-72.4	-27.5	175.7	-71	173.1	173.3	0	0	112.3	K578 F580	K578-E582 WeakPolarHBondContact CE-OE1 3.41Å; K578-E582 IonicContact NZ-OE1 2.86Å; K578-E582 WeakPolarHBondContact O-CG 3.34Å; K578-E582 PolarHBondContact O-N 3.12Å; F580-E582 VanDerWaalsContact C-N 3.32Å; F580-E582 PolarHBondContact O-N 3.16Å
583	T	94.4	Very high	92.6	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.08	24%	0.242	C	C	.	.	H	α-helix	trans	-95.3	-38.8	-175.9	-52.3	0	0	0	0	113.4	K402 L403 N406 M579 F580 Q581	K402-T583 WeakPolarHBondContact CE-O 3.41Å; K402-T583 HydrophobicContact CG-CG2 4.29Å; K402-T583 PolarHBondContact NZ-O 2.93Å; L403-T583 HydrophobicContact CD2-CG2 3.96Å; N406-T583 HydrophobicContact CB-CG2 3.94Å; M579-T583 WeakPolarHBondContact O-CB 3.44Å; M579-T583 PolarHBondContact O-N 3.4Å; M579-T583 PolarHBondContact O-OG1 2.84Å; F580-T583 PolarHBondContact O-N 3.3Å; Q581-T583 VanDerWaalsContact C-N 3.33Å
584	L	93.5	Very high	92.9	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	24%	0.241	C	C	.	.			trans	-122.7	140.1	-170.6	-62.5	-169.6	0	0	0	112.5	T399 K402 L403 P575 F580 E588 L592	T399-L584 HydrophobicContact CG2-CD1 3.86Å; T399-L584 HydrophobicContact CG2-CD2 3.76Å; T399-L584 HydrophobicContact CG2-CG 4.5Å; K402-L584 HydrophobicContact CD-CD2 3.99Å; L403-L584 HydrophobicContact CD1-CD1 3.97Å; L403-L584 HydrophobicContact CD2-CD1 3.81Å; L403-L584 HydrophobicContact CD2-CD2 4.18Å; L403-L584 HydrophobicContact CD2-CG 3.8Å; L403-L584 HydrophobicContact CG-CD1 4Å; L403-L584 HydrophobicContact CG-CD2 4.18Å; L403-L584 HydrophobicContact CG-CG 4.23Å; P575-L584 HydrophobicContact CG-CB 4.1Å; F580-L584 HydrophobicContact CD1-CD1 4.09Å; F580-L584 WeakPolarHBondContact O-CA 3.3Å; F580-L584 WeakPolarHBondContact O-CB 3.36Å; F580-L584 PolarHBondContact O-N 2.87Å; L584-E588 HydrophobicContact CB-CB 4.28Å; L584-E588 HydrophobicContact CD2-CB 4.13Å; L584-L592 HydrophobicContact CD1-CD1 3.64Å
585	T	92.1	Very high	93.1	Very high	78 Å²	78	52.8 Å²	52.8	48%	0.479	25%	0.25	S	C	.	.			trans	-72.7	159.3	163.3	62.1	0	0	0	0	110.9	K587 E588 H589	T585-K587 PolarHBondContact O-N 3.34Å; T585-E588 PolarHBondContact N-OE2 3.47Å; T585-E588 PolarHBondContact O-N 2.82Å; T585-E588 VanDerWaalsContact O-N 3.14Å; T585-E588 WeakPolarHBondContact OG1-CG 3.46Å; T585-E588 PolarHBondContact OG1-N 3.07Å; T585-E588 PolarHBondContact OG1-OE2 3.38Å; T585-H589 PolarHBondContact O-N 2.96Å
586	S	90.2	Very high	93	Very high	51 Å²	51	52.6 Å²	52.6	36%	0.357	25%	0.248	S	C	.	.	H	α-helix	trans	-55.1	-36.8	173.1	-57.9	0	0	0	0	112.7	F574 H589 M590	F574-S586 WeakPolarHBondContact O-CA 3.43Å; F574-S586 VanDerWaalsContact O-CB 3.3Å; F574-S586 WeakPolarHBondContact O-CB 3.32Å; F574-S586 PolarHBondContact O-OG 3.14Å; S586-H589 PolarHBondContact O-N 3.33Å; S586-M590 WeakPolarHBondContact O-CB 3.35Å; S586-M590 WeakPolarHBondContact O-CG 3.34Å; S586-M590 PolarHBondContact O-N 2.85Å
587	K	90.2	Very high	92.9	Very high	106 Å²	106	51.6 Å²	51.6	46%	0.461	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-45.3	177.7	-70.7	178.6	-176.5	163.6	0	111.9	E385 T585 M590 I591	E385-K587 WeakPolarHBondContact OE1-CE 3.11Å; E385-K587 IonicContact OE1-NZ 3.23Å; E385-K587 PolarHBondContact OE1-NZ 2.92Å; E385-K587 WeakPolarHBondContact OE2-CE 3.34Å; E385-K587 IonicContact OE2-NZ 3.12Å; T585-K587 PolarHBondContact O-N 3.34Å; K587-M590 PolarHBondContact O-N 2.63Å; K587-I591 WeakPolarHBondContact O-CG1 3.02Å; K587-I591 PolarHBondContact O-N 3.04Å; K587-I591 VanDerWaalsContact O-N 3.15Å
588	E	92.4	Very high	92.8	Very high	44 Å²	44	53.9 Å²	53.9	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-42.2	177.1	-73.7	166.9	127.7	0	0	111.5	T399 K402 L584 T585 M590 I591 L592	T399-E588 HydrophobicContact CG2-CB 3.97Å; K402-E588 IonicContact NZ-OE1 3.17Å; K402-E588 PolarHBondContact NZ-OE1 3.3Å; K402-E588 IonicContact NZ-OE2 3.42Å; K402-E588 PolarHBondContact NZ-OE2 3.18Å; K402-E588 VanDerWaalsContact NZ-OE2 3.09Å; L584-E588 HydrophobicContact CB-CB 4.28Å; L584-E588 HydrophobicContact CD2-CB 4.13Å; T585-E588 PolarHBondContact N-OE2 3.47Å; T585-E588 PolarHBondContact O-N 2.82Å; T585-E588 VanDerWaalsContact O-N 3.14Å; T585-E588 WeakPolarHBondContact OG1-CG 3.46Å; T585-E588 PolarHBondContact OG1-N 3.07Å; T585-E588 PolarHBondContact OG1-OE2 3.38Å; E588-M590 VanDerWaalsContact C-N 3.31Å; E588-M590 PolarHBondContact O-N 3.39Å; E588-I591 WeakPolarHBondContact O-CB 2.93Å; E588-I591 PolarHBondContact O-N 3.44Å; E588-I591 VanDerWaalsContact O-N 3.14Å; E588-L592 PolarHBondContact O-N 3.34Å
589	H	93.4	Very high	92.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-40.7	175.4	-172	-86.2	0	0	0	112.4	F574 P575 T585 S586 I591 L592 C593 D621	F574-H589 WeakPolarHBondContact CB-ND1 3.44Å; F574-H589 AromaticContact CD1-CE1 3.78Å; P575-H589 HydrophobicContact CG-CB 3.92Å; T585-H589 PolarHBondContact O-N 2.96Å; S586-H589 PolarHBondContact O-N 3.33Å; H589-I591 PolarHBondContact O-N 3.19Å; H589-L592 WeakPolarHBondContact O-CB 3.37Å; H589-L592 PolarHBondContact O-N 3.1Å; H589-L592 VanDerWaalsContact O-N 3.09Å; H589-C593 PolarHBondContact CE1-SG 3.35Å; H589-C593 PolarHBondContact ND1-SG 2.61Å; H589-C593 PolarHBondContact O-N 2.86Å; H589-C593 PolarHBondContact O-SG 3.34Å; H589-D621 IonicContact NE2-OD2 3.3Å; H589-D621 PolarHBondContact NE2-OD2 3.23Å
590	M	92.4	Very high	92.2	Very high	33 Å²	33	44.2 Å²	44.2	16%	0.163	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-27.8	177.5	-68.2	-71.1	-84.7	0	0	112.5	I566 S586 K587 E588 C593 R594	I566-M590 HydrophobicContact CG2-SD 4.46Å; I566-M590 VanDerWaalsContact O-CE 3.23Å; I566-M590 WeakPolarHBondContact O-CE 3.35Å; S586-M590 WeakPolarHBondContact O-CB 3.35Å; S586-M590 WeakPolarHBondContact O-CG 3.34Å; S586-M590 PolarHBondContact O-N 2.85Å; K587-M590 PolarHBondContact O-N 2.63Å; E588-M590 VanDerWaalsContact C-N 3.31Å; E588-M590 PolarHBondContact O-N 3.39Å; M590-C593 PolarHBondContact O-N 3.12Å; M590-R594 VanDerWaalsContact O-CG 3.32Å; M590-R594 WeakPolarHBondContact O-CG 3.41Å; M590-R594 PolarHBondContact O-N 2.74Å; M590-R594 VanDerWaalsContact O-N 3.09Å
591	I	91.2	Very high	91.6	Very high	24 Å²	24	49.3 Å²	49.3	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-48.3	169.8	-65.7	168.5	0	0	0	109.8	F392 P396 K587 E588 H589 C593 R594 F595	F392-I591 HydrophobicContact CD1-CD1 4.23Å; F392-I591 HydrophobicContact CE1-CD1 3.96Å; P396-I591 HydrophobicContact CB-CG2 4.49Å; K587-I591 WeakPolarHBondContact O-CG1 3.02Å; K587-I591 PolarHBondContact O-N 3.04Å; K587-I591 VanDerWaalsContact O-N 3.15Å; E588-I591 WeakPolarHBondContact O-CB 2.93Å; E588-I591 PolarHBondContact O-N 3.44Å; E588-I591 VanDerWaalsContact O-N 3.14Å; H589-I591 PolarHBondContact O-N 3.19Å; I591-C593 VanDerWaalsContact C-N 3.3Å; I591-C593 PolarHBondContact O-N 3Å; I591-R594 PolarHBondContact O-N 3.31Å; I591-F595 HydrophobicContact CG2-CD2 3.77Å; I591-F595 HydrophobicContact CG2-CE2 3.92Å; I591-F595 WeakPolarHBondContact O-CD2 3.44Å; I591-F595 PolarHBondContact O-N 3.09Å
592	L	93.1	Very high	91.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-46	176.8	-64.5	173.6	0	0	0	111.6	T399 M400 L403 L584 E588 H589 R594 F595 A596 L617 V618	T399-L592 HydrophobicContact CG2-CD1 3.94Å; T399-L592 HydrophobicContact CG2-CD2 3.9Å; T399-L592 HydrophobicContact CG2-CG 3.75Å; M400-L592 HydrophobicContact CG-CD2 3.92Å; L403-L592 HydrophobicContact CD1-CD1 3.65Å; L584-L592 HydrophobicContact CD1-CD1 3.64Å; E588-L592 PolarHBondContact O-N 3.34Å; H589-L592 WeakPolarHBondContact O-CB 3.37Å; H589-L592 PolarHBondContact O-N 3.1Å; H589-L592 VanDerWaalsContact O-N 3.09Å; L592-R594 PolarHBondContact O-N 2.78Å; L592-F595 PolarHBondContact O-N 3.46Å; L592-A596 WeakPolarHBondContact O-CB 3.39Å; L592-A596 PolarHBondContact O-N 3.36Å; L592-L617 HydrophobicContact CD2-CD1 4.24Å; L592-V618 HydrophobicContact CB-CG2 4.12Å
593	C	93.7	Very high	90.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-57	-46.1	178.1	-65.5	0	0	0	0	112.2	Y563 G564 I566 H589 M590 I591 A596	Y563-C593 CarbonylContact C-O 3.6Å; Y563-C593 VanDerWaalsContact C-O 3.23Å; Y563-C593 WeakPolarHBondContact CB-O 3.49Å; Y563-C593 WeakPolarHBondContact O-CB 3.48Å; G564-C593 WeakPolarHBondContact CA-O 3.42Å; G564-C593 PolarHBondContact N-O 3.38Å; G564-C593 VanDerWaalsContact N-O 3.12Å; I566-C593 HydrophobicContact CB-CB 4.29Å; I566-C593 HydrophobicContact CD1-CB 4.3Å; H589-C593 PolarHBondContact CE1-SG 3.35Å; H589-C593 PolarHBondContact ND1-SG 2.61Å; H589-C593 PolarHBondContact O-N 2.86Å; H589-C593 PolarHBondContact O-SG 3.34Å; M590-C593 PolarHBondContact O-N 3.12Å; I591-C593 VanDerWaalsContact C-N 3.3Å; I591-C593 PolarHBondContact O-N 3Å; C593-A596 WeakPolarHBondContact O-CB 3.24Å; C593-A596 PolarHBondContact O-N 2.93Å
594	R	92.3	Very high	90.8	Very high	157 Å²	157	50.5 Å²	50.5	59%	0.592	26%	0.26	S	S	*	.	H	α-helix	trans	-63.8	-42.4	177.6	-71	171.2	-177.1	175.2	1.5	112.6	M590 I591 L592 D597	M590-R594 VanDerWaalsContact O-CG 3.32Å; M590-R594 WeakPolarHBondContact O-CG 3.41Å; M590-R594 PolarHBondContact O-N 2.74Å; M590-R594 VanDerWaalsContact O-N 3.09Å; I591-R594 PolarHBondContact O-N 3.31Å; L592-R594 PolarHBondContact O-N 2.78Å; R594-D597 PolarHBondContact O-N 3.24Å
595	F	92.8	Very high	90.7	Very high	44 Å²	44	54.7 Å²	54.7	19%	0.193	29%	0.287	C	S	.	.	H	α-helix	trans	-76.6	-25.1	-179.8	-81	-87.5	0	0	0	113	P396 I591 L592 D597 Q598 G611 C614	P396-F595 HydrophobicContact CB-CB 3.93Å; P396-F595 HydrophobicContact CB-CD1 4.29Å; P396-F595 HydrophobicContact CB-CD2 3.88Å; P396-F595 HydrophobicContact CB-CG 3.77Å; P396-F595 VanDerWaalsContact CD-CE1 3.49Å; P396-F595 HydrophobicContact CG-CB 4Å; P396-F595 HydrophobicContact CG-CD1 3.61Å; P396-F595 HydrophobicContact CG-CD2 4.08Å; P396-F595 HydrophobicContact CG-CE1 4.1Å; P396-F595 HydrophobicContact CG-CG 3.62Å; I591-F595 HydrophobicContact CG2-CD2 3.77Å; I591-F595 HydrophobicContact CG2-CE2 3.92Å; I591-F595 WeakPolarHBondContact O-CD2 3.44Å; I591-F595 PolarHBondContact O-N 3.09Å; L592-F595 PolarHBondContact O-N 3.46Å; F595-D597 PolarHBondContact O-N 3.29Å; F595-D597 VanDerWaalsContact O-N 3.12Å; F595-Q598 VanDerWaalsContact CD1-CD 3.43Å; F595-Q598 HydrophobicContact CD1-CG 4.48Å; F595-Q598 WeakPolarHBondContact O-CB 3.23Å; F595-Q598 PolarHBondContact O-N 3.22Å; F595-G611 WeakPolarHBondContact O-CA 2.98Å; F595-C614 HydrophobicContact CB-CB 4.47Å
596	A	93.2	Very high	90.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.6	-22	172	0	0	0	0	0	112.4	Y563 L592 C593 Q598 C614 M615 K646	Y563-A596 HydrophobicContact CD1-CB 4.03Å; Y563-A596 HydrophobicContact CD2-CB 4.33Å; Y563-A596 HydrophobicContact CG-CB 3.73Å; L592-A596 WeakPolarHBondContact O-CB 3.39Å; L592-A596 PolarHBondContact O-N 3.36Å; C593-A596 WeakPolarHBondContact O-CB 3.24Å; C593-A596 PolarHBondContact O-N 2.93Å; A596-Q598 VanDerWaalsContact C-N 3.3Å; A596-Q598 PolarHBondContact O-N 3.32Å; A596-C614 HydrophobicContact CB-CB 3.87Å; A596-M615 HydrophobicContact CB-CB 4.39Å; A596-M615 HydrophobicContact CB-CG 3.77Å; A596-M615 WeakPolarHBondContact O-CG 3.22Å; A596-K646 PolarHBondContact O-NZ 3.5Å
597	D	90.5	Very high	90.5	Very high	48 Å²	48	60.7 Å²	60.7	26%	0.257	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.3	174	-85.8	-19.1	0	0	0	114.8	C562 Y563 G564 R594 F595 T599 K646	C562-D597 WeakPolarHBondContact CA-OD1 3.47Å; Y563-D597 PolarHBondContact N-OD1 3.11Å; Y563-D597 PolarHBondContact N-OD2 3.22Å; G564-D597 WeakPolarHBondContact CA-OD2 3.36Å; G564-D597 PolarHBondContact N-OD2 3.1Å; R594-D597 PolarHBondContact O-N 3.24Å; F595-D597 PolarHBondContact O-N 3.29Å; F595-D597 VanDerWaalsContact O-N 3.12Å; D597-T599 VanDerWaalsContact C-N 3.28Å; D597-T599 PolarHBondContact O-N 2.83Å; D597-K646 PolarHBondContact O-NZ 2.8Å; D597-K646 WeakPolarHBondContact OD1-CE 3.37Å; D597-K646 IonicContact OD1-NZ 2.68Å
598	Q	90.8	Very high	90.6	Very high	54 Å²	54	60.2 Å²	60.2	25%	0.252	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	51.1	-174.8	-59.3	-174.9	13	0	0	114.8	F595 A596 L603 R608	F595-Q598 VanDerWaalsContact CD1-CD 3.43Å; F595-Q598 HydrophobicContact CD1-CG 4.48Å; F595-Q598 WeakPolarHBondContact O-CB 3.23Å; F595-Q598 PolarHBondContact O-N 3.22Å; A596-Q598 VanDerWaalsContact C-N 3.3Å; A596-Q598 PolarHBondContact O-N 3.32Å; Q598-L603 VanDerWaalsContact C-CD1 3.5Å; Q598-L603 HydrophobicContact CB-CD1 3.88Å; Q598-L603 WeakPolarHBondContact O-CD1 3.4Å; Q598-R608 WeakPolarHBondContact O-CA 3.48Å
599	T	87.4	Confident	90.5	Very high	10 Å²	10	62.5 Å²	62.5	6%	0.061	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	0.8	178.4	64.5	0	0	0	0	114.7	D597 M615 P645 K646	D597-T599 VanDerWaalsContact C-N 3.28Å; D597-T599 PolarHBondContact O-N 2.83Å; T599-M615 HydrophobicContact CG2-CG 4.48Å; T599-M615 HydrophobicContact CG2-SD 3.5Å; T599-M615 VanDerWaalsContact CG2-SD 3.5Å; T599-P645 VanDerWaalsContact CB-O 3.29Å; T599-P645 WeakPolarHBondContact CB-O 3.19Å; T599-P645 PolarHBondContact OG1-O 3.28Å; T599-K646 WeakPolarHBondContact OG1-CE 3.33Å; T599-K646 PolarHBondContact OG1-NZ 3.33Å
600	A	86.5	Confident	90.5	Very high	24 Å²	24	63.8 Å²	63.8	20%	0.198	31%	0.313	C	S	.	.			trans	-61	142.4	-175	0	0	0	0	0	112.4	Q602 L603 R608	A600-Q602 VanDerWaalsContact CB-CD 3.4Å; A600-Q602 VanDerWaalsContact CB-NE2 3.27Å; A600-Q602 PolarHBondContact O-N 2.93Å; A600-Q602 VanDerWaalsContact O-N 3.13Å; A600-L603 HydrophobicContact CB-CD1 4.31Å; A600-L603 HydrophobicContact CB-CG 4.46Å; A600-L603 WeakPolarHBondContact O-CB 3.25Å; A600-L603 PolarHBondContact O-N 2.88Å; A600-R608 VanDerWaalsContact O-CD 3.27Å; A600-R608 WeakPolarHBondContact O-CD 3.49Å
601	V	84.3	Confident	90.5	Very high	106 Å²	106	62.2 Å²	62.2	64%	0.642	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.9	-169.3	-176.9	0	0	0	0	113	L603 P645	V601-L603 PolarHBondContact O-N 3.22Å; V601-P645 HydrophobicContact CG2-CG 4.16Å
602	Q	87.2	Confident	90.7	Very high	158 Å²	158	62.9 Å²	62.9	74%	0.738	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-12	177.4	69.8	-84	20.6	0	0	114.3	A600	A600-Q602 VanDerWaalsContact CB-CD 3.4Å; A600-Q602 VanDerWaalsContact CB-NE2 3.27Å; A600-Q602 PolarHBondContact O-N 2.93Å; A600-Q602 VanDerWaalsContact O-N 3.13Å
603	L	88.2	Confident	90.8	Very high	44 Å²	44	69.1 Å²	69.1	23%	0.23	33%	0.331	C	S	.	.	S	Bend	trans	-83.5	150	179.7	-64.1	173.4	0	0	0	111.4	Q598 A600 V601 R607 R608	Q598-L603 VanDerWaalsContact C-CD1 3.5Å; Q598-L603 HydrophobicContact CB-CD1 3.88Å; Q598-L603 WeakPolarHBondContact O-CD1 3.4Å; A600-L603 HydrophobicContact CB-CD1 4.31Å; A600-L603 HydrophobicContact CB-CG 4.46Å; A600-L603 WeakPolarHBondContact O-CB 3.25Å; A600-L603 PolarHBondContact O-N 2.88Å; V601-L603 PolarHBondContact O-N 3.22Å; L603-R607 HydrophobicContact CB-CB 4.4Å; L603-R608 HydrophobicContact CB-CG 3.91Å; L603-R608 PolarHBondContact O-NE 2.9Å
604	P	91.4	Very high	90.8	Very high	71 Å²	71	69 Å²	69	46%	0.461	33%	0.331	S	S	.	.			trans	-52.7	144.6	173.9	-26.3	34.1	0	0	0	112.2	E606 R607 R608	P604-E606 PolarHBondContact O-N 3.32Å; P604-E606 VanDerWaalsContact O-N 3.15Å; P604-R607 PolarHBondContact O-N 2.92Å; P604-R608 PolarHBondContact O-N 3.32Å; P604-R608 VanDerWaalsContact O-N 3.07Å
605	P	90.6	Very high	91	Very high	94 Å²	94	61.6 Å²	61.6	61%	0.61	30%	0.303	S	S	*	.	H	α-helix	trans	-51.7	-40.5	-178.1	-27.7	34.5	0	0	0	113.8	R607 R608 L609	P605-R607 PolarHBondContact O-N 3.22Å; P605-R608 PolarHBondContact O-N 2.89Å; P605-L609 PolarHBondContact O-N 3.46Å
606	E	89.5	Confident	91.1	Very high	115 Å²	115	59.5 Å²	59.5	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-43	177.9	-167.1	-169.2	167.4	0	0	112.3	R397 P604 L609 I610	R397-E606 IonicContact CZ-OE1 3.14Å; R397-E606 IonicContact NH2-OE1 3.94Å; R397-E606 PolarHBondContact NH2-OE1 3.46Å; P604-E606 PolarHBondContact O-N 3.32Å; P604-E606 VanDerWaalsContact O-N 3.15Å; E606-L609 PolarHBondContact O-N 3.48Å; E606-I610 HydrophobicContact CG-CD1 4.36Å; E606-I610 WeakPolarHBondContact O-CG1 3.42Å; E606-I610 PolarHBondContact O-N 3.15Å
607	R	89.3	Confident	91.3	Very high	140 Å²	140	59.8 Å²	59.8	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-65.9	-39.8	176.7	-71.1	-164.8	-179.4	-178	-0.3	111.5	L603 P604 P605 L609 I610 G611	L603-R607 HydrophobicContact CB-CB 4.4Å; P604-R607 PolarHBondContact O-N 2.92Å; P605-R607 PolarHBondContact O-N 3.22Å; R607-L609 VanDerWaalsContact C-N 3.34Å; R607-L609 PolarHBondContact O-N 3.42Å; R607-I610 PolarHBondContact O-N 3.42Å; R607-G611 PolarHBondContact O-N 2.7Å
608	R	91.8	Very high	91.6	Very high	96 Å²	96	57.6 Å²	57.6	36%	0.362	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-41.1	176	-64.5	-169.3	-64.9	125.6	-2.4	111.8	Q598 A600 L603 P604 P605 G611 K612	Q598-R608 WeakPolarHBondContact O-CA 3.48Å; A600-R608 VanDerWaalsContact O-CD 3.27Å; A600-R608 WeakPolarHBondContact O-CD 3.49Å; L603-R608 HydrophobicContact CB-CG 3.91Å; L603-R608 PolarHBondContact O-NE 2.9Å; P604-R608 PolarHBondContact O-N 3.32Å; P604-R608 VanDerWaalsContact O-N 3.07Å; P605-R608 PolarHBondContact O-N 2.89Å; R608-G611 PolarHBondContact O-N 3.21Å; R608-K612 WeakPolarHBondContact O-CB 3.37Å; R608-K612 PolarHBondContact O-N 3.5Å
609	L	91.3	Very high	91.8	Very high	93 Å²	93	55 Å²	55	49%	0.487	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-43.8	176.5	-177.4	62.9	0	0	0	111.7	P605 E606 R607 K612 R613	P605-L609 PolarHBondContact O-N 3.46Å; E606-L609 PolarHBondContact O-N 3.48Å; R607-L609 VanDerWaalsContact C-N 3.34Å; R607-L609 PolarHBondContact O-N 3.42Å; L609-K612 PolarHBondContact O-N 3.42Å; L609-R613 WeakPolarHBondContact O-CG 3.48Å; L609-R613 PolarHBondContact O-N 3.03Å
610	I	92.6	Very high	92.3	Very high	27 Å²	27	55.1 Å²	55.1	14%	0.138	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-48.2	173.9	-68.4	166.5	0	0	0	110.1	P396 M400 E606 R607 K612 R613 C614	P396-I610 HydrophobicContact CG-CG2 3.46Å; P396-I610 VanDerWaalsContact CG-CG2 3.46Å; M400-I610 HydrophobicContact SD-CG2 4.23Å; E606-I610 HydrophobicContact CG-CD1 4.36Å; E606-I610 WeakPolarHBondContact O-CG1 3.42Å; E606-I610 PolarHBondContact O-N 3.15Å; R607-I610 PolarHBondContact O-N 3.42Å; I610-K612 VanDerWaalsContact C-N 3.34Å; I610-K612 PolarHBondContact O-N 3.26Å; I610-R613 PolarHBondContact O-N 2.87Å; I610-C614 PolarHBondContact O-N 2.78Å; I610-C614 PolarHBondContact O-SG 3.11Å; I610-C614 VanDerWaalsContact O-SG 3.36Å
611	G	94	Very high	92.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-43.9	177.3	0	0	0	0	0	112.7	F595 R607 R608 R613 C614 M615	F595-G611 WeakPolarHBondContact O-CA 2.98Å; R607-G611 PolarHBondContact O-N 2.7Å; R608-G611 PolarHBondContact O-N 3.21Å; G611-R613 PolarHBondContact O-N 2.98Å; G611-C614 PolarHBondContact O-N 3.2Å; G611-M615 WeakPolarHBondContact O-CG 3.2Å; G611-M615 PolarHBondContact O-N 2.81Å
612	K	94.2	Very high	93.3	Very high	38 Å²	38	49.3 Å²	49.3	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-39.6	176.9	-179.2	64.6	172.9	-178.6	0	112.1	R608 L609 I610 M615 G616 T637 N647 N648	R608-K612 WeakPolarHBondContact O-CB 3.37Å; R608-K612 PolarHBondContact O-N 3.5Å; L609-K612 PolarHBondContact O-N 3.42Å; I610-K612 VanDerWaalsContact C-N 3.34Å; I610-K612 PolarHBondContact O-N 3.26Å; K612-M615 WeakPolarHBondContact O-CB 3.29Å; K612-M615 PolarHBondContact O-N 2.83Å; K612-G616 PolarHBondContact O-N 3.16Å; K612-T637 PolarHBondContact NZ-OG1 2.82Å; K612-N647 PolarHBondContact NZ-OD1 3.08Å; K612-N648 PolarHBondContact NZ-OD1 2.93Å
613	R	94.6	Very high	93.8	Very high	131 Å²	131	42 Å²	42	49%	0.494	20%	0.199	S	C	.	.	H	α-helix	trans	-65.3	-44.7	173.6	-71.3	178.1	-179.2	-177.4	0.6	111.8	M400 L609 I610 G611 M615 G616 L617	M400-R613 HydrophobicContact CE-CB 3.52Å; M400-R613 HydrophobicContact CE-CG 4.26Å; L609-R613 WeakPolarHBondContact O-CG 3.48Å; L609-R613 PolarHBondContact O-N 3.03Å; I610-R613 PolarHBondContact O-N 2.87Å; G611-R613 PolarHBondContact O-N 2.98Å; R613-M615 VanDerWaalsContact C-N 3.33Å; R613-M615 PolarHBondContact O-N 3.29Å; R613-G616 PolarHBondContact O-N 3.48Å; R613-L617 WeakPolarHBondContact O-CG 3.36Å; R613-L617 PolarHBondContact O-N 3.17Å
614	C	95.5	Very high	94.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-41.2	175.2	-66.7	0	0	0	0	111.8	F595 A596 I610 G611 L617 V618	F595-C614 HydrophobicContact CB-CB 4.47Å; A596-C614 HydrophobicContact CB-CB 3.87Å; I610-C614 PolarHBondContact O-N 2.78Å; I610-C614 PolarHBondContact O-SG 3.11Å; I610-C614 VanDerWaalsContact O-SG 3.36Å; G611-C614 PolarHBondContact O-N 3.2Å; C614-L617 PolarHBondContact O-N 3.37Å; C614-V618 WeakPolarHBondContact O-CG2 3.19Å; C614-V618 PolarHBondContact O-N 3.1Å
615	M	95.1	Very high	94.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-49.3	172.8	-74.9	177.1	57.1	0	0	111.4	Y563 A596 T599 G611 K612 R613 L617 V618 D619 K646 N648	Y563-M615 HydrophobicContact CD2-CG 4.05Å; Y563-M615 HydrophobicContact CE1-CB 4.37Å; Y563-M615 HydrophobicContact CE1-CG 4.36Å; Y563-M615 HydrophobicContact CE2-CB 4.44Å; Y563-M615 HydrophobicContact CE2-CE 3.66Å; Y563-M615 HydrophobicContact CE2-CG 3.75Å; Y563-M615 HydrophobicContact CE2-SD 4.13Å; Y563-M615 WeakPolarHBondContact OH-CE 3.48Å; A596-M615 HydrophobicContact CB-CB 4.39Å; A596-M615 HydrophobicContact CB-CG 3.77Å; A596-M615 WeakPolarHBondContact O-CG 3.22Å; T599-M615 HydrophobicContact CG2-CG 4.48Å; T599-M615 HydrophobicContact CG2-SD 3.5Å; T599-M615 VanDerWaalsContact CG2-SD 3.5Å; G611-M615 WeakPolarHBondContact O-CG 3.2Å; G611-M615 PolarHBondContact O-N 2.81Å; K612-M615 WeakPolarHBondContact O-CB 3.29Å; K612-M615 PolarHBondContact O-N 2.83Å; R613-M615 VanDerWaalsContact C-N 3.33Å; R613-M615 PolarHBondContact O-N 3.29Å; M615-L617 VanDerWaalsContact C-N 3.33Å; M615-L617 PolarHBondContact O-N 3.12Å; M615-V618 PolarHBondContact O-N 3.38Å; M615-D619 WeakPolarHBondContact O-CB 3.46Å; M615-D619 PolarHBondContact O-N 3.04Å; M615-K646 HydrophobicContact CE-CB 4.35Å; M615-K646 HydrophobicContact CE-CD 3.84Å; M615-K646 HydrophobicContact SD-CD 3.62Å; M615-N648 WeakPolarHBondContact CB-ND2 3.21Å; M615-N648 HydrophobicContact CE-CB 3.91Å
616	G	95.8	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-40.2	177.9	0	0	0	0	0	113.3	K612 R613 D619 L620	K612-G616 PolarHBondContact O-N 3.16Å; R613-G616 PolarHBondContact O-N 3.48Å; G616-D619 PolarHBondContact O-N 2.97Å; G616-L620 WeakPolarHBondContact O-CB 3.29Å; G616-L620 PolarHBondContact O-N 2.9Å
617	L	96.8	Very high	94.9	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-42.3	177.2	-70.3	169.6	0	0	0	112.6	M400 L403 I408 A410 F580 L592 R613 C614 M615 L620 D621	M400-L617 HydrophobicContact CG-CD1 4.01Å; L403-L617 HydrophobicContact CD1-CD1 3.74Å; L403-L617 HydrophobicContact CD1-CD2 4.07Å; L403-L617 HydrophobicContact CD1-CG 4.32Å; I408-L617 HydrophobicContact CG2-CD2 4.26Å; A410-L617 HydrophobicContact CB-CD2 4.24Å; A410-L617 HydrophobicContact CB-CG 4.19Å; F580-L617 HydrophobicContact CZ-CD2 4.48Å; F580-L617 VanDerWaalsContact CZ-O 3.31Å; F580-L617 WeakPolarHBondContact CZ-O 3.25Å; L592-L617 HydrophobicContact CD2-CD1 4.24Å; R613-L617 WeakPolarHBondContact O-CG 3.36Å; R613-L617 PolarHBondContact O-N 3.17Å; C614-L617 PolarHBondContact O-N 3.37Å; M615-L617 VanDerWaalsContact C-N 3.33Å; M615-L617 PolarHBondContact O-N 3.12Å; L617-L620 PolarHBondContact O-N 2.71Å; L617-D621 PolarHBondContact O-N 2.86Å
618	V	96.1	Very high	95.2	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-40	177.2	175.8	0	0	0	0	110.9	Y563 I566 L592 C614 M615 D621 R622	Y563-V618 HydrophobicContact CD1-CB 4.05Å; Y563-V618 HydrophobicContact CD1-CG1 3.84Å; Y563-V618 HydrophobicContact CE1-CB 4.28Å; Y563-V618 HydrophobicContact CE1-CG1 4.2Å; I566-V618 HydrophobicContact CD1-CG1 3.88Å; L592-V618 HydrophobicContact CB-CG2 4.12Å; C614-V618 WeakPolarHBondContact O-CG2 3.19Å; C614-V618 PolarHBondContact O-N 3.1Å; M615-V618 PolarHBondContact O-N 3.38Å; V618-D621 PolarHBondContact O-N 2.88Å; V618-R622 PolarHBondContact O-N 2.83Å
619	D	96.6	Very high	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-73	-29.4	177.8	-68.4	-27.7	0	0	0	112.6	P560 Y563 M615 G616 R622 A623 V635 N648 L650	P560-D619 WeakPolarHBondContact CG-OD1 3.49Å; Y563-D619 VanDerWaalsContact CE1-OD1 3.29Å; Y563-D619 WeakPolarHBondContact CE1-OD1 3.09Å; Y563-D619 PolarHBondContact OH-OD1 2.83Å; Y563-D619 PolarHBondContact OH-OD2 3.09Å; M615-D619 WeakPolarHBondContact O-CB 3.46Å; M615-D619 PolarHBondContact O-N 3.04Å; G616-D619 PolarHBondContact O-N 2.97Å; D619-R622 PolarHBondContact O-N 3.24Å; D619-R622 IonicContact OD1-NH1 3.92Å; D619-R622 PolarHBondContact OD1-NH1 3.31Å; D619-R622 VanDerWaalsContact OD1-NH1 3.14Å; D619-A623 WeakPolarHBondContact O-CB 3.43Å; D619-A623 PolarHBondContact O-N 3.25Å; D619-V635 HydrophobicContact CB-CG1 3.9Å; D619-N648 VanDerWaalsContact OD2-CB 3.32Å; D619-N648 WeakPolarHBondContact OD2-CB 3.36Å; D619-N648 PolarHBondContact OD2-ND2 3.11Å; D619-L650 HydrophobicContact CB-CD1 4.44Å; D619-L650 HydrophobicContact CB-CD2 4.11Å; D619-L650 HydrophobicContact CB-CG 4.41Å
620	L	96.7	Very high	95.5	Very high	13 Å²	13	31.3 Å²	31.3	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-42.9	171.6	-175.1	66	0	0	0	111.6	I408 E409 F580 G616 L617 R622 A623 W624	I408-L620 HydrophobicContact CG2-CD2 4.15Å; E409-L620 WeakPolarHBondContact O-CD2 3.45Å; F580-L620 HydrophobicContact CE2-CD2 4.48Å; G616-L620 WeakPolarHBondContact O-CB 3.29Å; G616-L620 PolarHBondContact O-N 2.9Å; L617-L620 PolarHBondContact O-N 2.71Å; L620-R622 VanDerWaalsContact C-N 3.29Å; L620-R622 PolarHBondContact O-N 2.77Å; L620-A623 PolarHBondContact O-N 2.79Å; L620-A623 VanDerWaalsContact O-N 3.17Å; L620-W624 HydrophobicContact CD1-CD2 4.27Å; L620-W624 HydrophobicContact CD1-CZ2 3.98Å; L620-W624 HydrophobicContact CD2-CH2 3.97Å; L620-W624 HydrophobicContact CD2-CZ2 3.8Å; L620-W624 HydrophobicContact CD2-CZ3 4.47Å; L620-W624 HydrophobicContact CG-CD2 4.06Å; L620-W624 HydrophobicContact CG-CE3 4.46Å; L620-W624 HydrophobicContact CG-CH2 4.37Å; L620-W624 HydrophobicContact CG-CZ2 3.95Å; L620-W624 PolarHBondContact O-N 2.95Å
621	D	96.4	Very high	95.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.6	-43.1	174.4	-177.1	43.5	0	0	0	111.5	K576 S577 F580 H589 L617 V618 A625	K576-D621 WeakPolarHBondContact CB-OD2 3.34Å; K576-D621 PolarHBondContact N-OD1 3.19Å; K576-D621 PolarHBondContact N-OD2 3.17Å; S577-D621 VanDerWaalsContact CB-OD1 3.23Å; S577-D621 WeakPolarHBondContact CB-OD1 3.45Å; S577-D621 PolarHBondContact N-OD1 2.95Å; S577-D621 PolarHBondContact OG-OD1 2.95Å; F580-D621 WeakPolarHBondContact CB-OD1 3.33Å; F580-D621 HydrophobicContact CD1-CB 4.06Å; F580-D621 HydrophobicContact CD2-CB 3.96Å; F580-D621 HydrophobicContact CE1-CB 4.08Å; F580-D621 HydrophobicContact CE2-CB 3.96Å; F580-D621 HydrophobicContact CG-CB 3.99Å; F580-D621 WeakPolarHBondContact CG-OD1 3.5Å; F580-D621 HydrophobicContact CZ-CB 4.02Å; H589-D621 IonicContact NE2-OD2 3.3Å; H589-D621 PolarHBondContact NE2-OD2 3.23Å; L617-D621 PolarHBondContact O-N 2.86Å; V618-D621 PolarHBondContact O-N 2.88Å; D621-A625 WeakPolarHBondContact O-CB 3.21Å; D621-A625 PolarHBondContact O-N 2.9Å; D621-A625 VanDerWaalsContact O-N 3.08Å
622	R	96.1	Very high	95.8	Very high	8 Å²	8	33.5 Å²	33.5	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-44.3	173.7	-72	171.4	169.8	150.6	-6.5	112.7	G539 D543 L546 I566 V618 D619 L620 A625 A626 L650	G539-R622 PolarHBondContact O-NH2 2.91Å; D543-R622 IonicContact OD1-CZ 3.74Å; D543-R622 IonicContact OD1-NE 2.94Å; D543-R622 PolarHBondContact OD1-NE 3.13Å; D543-R622 IonicContact OD1-NH2 3.1Å; D543-R622 IonicContact OD2-CZ 3.85Å; D543-R622 IonicContact OD2-NE 3.82Å; D543-R622 IonicContact OD2-NH2 3.84Å; D543-R622 PolarHBondContact OD2-NH2 3.41Å; L546-R622 HydrophobicContact CD1-CB 3.94Å; L546-R622 HydrophobicContact CD1-CG 4.16Å; I566-R622 VanDerWaalsContact CD1-NH2 3.33Å; V618-R622 PolarHBondContact O-N 2.83Å; D619-R622 PolarHBondContact O-N 3.24Å; D619-R622 IonicContact OD1-NH1 3.92Å; D619-R622 PolarHBondContact OD1-NH1 3.31Å; D619-R622 VanDerWaalsContact OD1-NH1 3.14Å; L620-R622 VanDerWaalsContact C-N 3.29Å; L620-R622 PolarHBondContact O-N 2.77Å; R622-A625 PolarHBondContact O-N 2.8Å; R622-A626 PolarHBondContact O-N 3.12Å; R622-A626 VanDerWaalsContact O-N 3.09Å; R622-L650 HydrophobicContact CB-CD1 4.42Å
623	A	96.8	Very high	95.9	Very high	3 Å²	3	32.4 Å²	32.4	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-51.7	-179.9	0	0	0	0	0	111	D619 L620 A625 A626 E627 V633 V635 L650	D619-A623 WeakPolarHBondContact O-CB 3.43Å; D619-A623 PolarHBondContact O-N 3.25Å; L620-A623 PolarHBondContact O-N 2.79Å; L620-A623 VanDerWaalsContact O-N 3.17Å; A623-A625 VanDerWaalsContact C-N 3.29Å; A623-A625 PolarHBondContact O-N 3.44Å; A623-A626 WeakPolarHBondContact O-CB 3.38Å; A623-A626 PolarHBondContact O-N 3.42Å; A623-E627 WeakPolarHBondContact O-CG 3.29Å; A623-E627 PolarHBondContact O-N 2.7Å; A623-V633 HydrophobicContact CB-CB 3.99Å; A623-V633 HydrophobicContact CB-CG1 3.56Å; A623-V635 HydrophobicContact CB-CG2 3.83Å; A623-L650 HydrophobicContact CB-CD2 4.32Å
624	W	96.3	Very high	96	Very high	70 Å²	70	29 Å²	29	27%	0.265	16%	0.162	S	C	.	.	H	α-helix	trans	-61.8	-35.5	177.7	-70.7	-9.7	0	0	0	112.8	I408 M579 F580 L620 A626 E627 T628	I408-W624 HydrophobicContact CB-CH2 4.44Å; I408-W624 HydrophobicContact CD1-CZ3 4.28Å; I408-W624 HydrophobicContact CG1-CH2 4.1Å; I408-W624 HydrophobicContact CG1-CZ3 4.04Å; I408-W624 HydrophobicContact CG2-CH2 3.98Å; I408-W624 HydrophobicContact CG2-CZ3 3.99Å; M579-W624 HydrophobicContact CB-CE3 4.05Å; M579-W624 HydrophobicContact CB-CZ3 3.84Å; M579-W624 HydrophobicContact CG-CE3 4.43Å; M579-W624 HydrophobicContact CG-CZ3 4.28Å; F580-W624 AromaticContact CD2-CE3 3.88Å; F580-W624 HydrophobicContact CD2-CE3 3.88Å; F580-W624 AromaticContact CD2-CZ3 3.92Å; F580-W624 HydrophobicContact CD2-CZ3 3.92Å; F580-W624 AromaticContact CE2-CE3 3.77Å; F580-W624 HydrophobicContact CE2-CE3 3.77Å; F580-W624 AromaticContact CE2-CZ3 3.65Å; F580-W624 HydrophobicContact CE2-CZ3 3.65Å; L620-W624 HydrophobicContact CD1-CD2 4.27Å; L620-W624 HydrophobicContact CD1-CZ2 3.98Å; L620-W624 HydrophobicContact CD2-CH2 3.97Å; L620-W624 HydrophobicContact CD2-CZ2 3.8Å; L620-W624 HydrophobicContact CD2-CZ3 4.47Å; L620-W624 HydrophobicContact CG-CD2 4.06Å; L620-W624 HydrophobicContact CG-CE3 4.46Å; L620-W624 HydrophobicContact CG-CH2 4.37Å; L620-W624 HydrophobicContact CG-CZ2 3.95Å; L620-W624 PolarHBondContact O-N 2.95Å; W624-A626 VanDerWaalsContact C-N 3.29Å; W624-A626 PolarHBondContact O-N 3.05Å; W624-E627 PolarHBondContact O-N 3.46Å; W624-T628 WeakPolarHBondContact O-CG2 3.32Å; W624-T628 PolarHBondContact O-N 3.35Å
625	A	95.8	Very high	96	Very high	17 Å²	17	29.3 Å²	29.3	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-31.6	173.8	0	0	0	0	0	113	K576 D621 R622 A623 T628 H629	K576-A625 HydrophobicContact CB-CB 3.69Å; D621-A625 WeakPolarHBondContact O-CB 3.21Å; D621-A625 PolarHBondContact O-N 2.9Å; D621-A625 VanDerWaalsContact O-N 3.08Å; R622-A625 PolarHBondContact O-N 2.8Å; A623-A625 VanDerWaalsContact C-N 3.29Å; A623-A625 PolarHBondContact O-N 3.44Å; A625-T628 PolarHBondContact O-OG1 3.01Å; A625-H629 PolarHBondContact O-ND1 2.94Å; A625-H629 VanDerWaalsContact O-ND1 3.11Å
626	A	96.3	Very high	96	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-77.3	-34.5	173.2	0	0	0	0	0	112.1	I550 F556 R622 A623 W624 T628 H629 V633	I550-A626 HydrophobicContact CD1-CB 3.87Å; F556-A626 HydrophobicContact CE1-CB 4.37Å; F556-A626 HydrophobicContact CZ-CB 4.19Å; R622-A626 PolarHBondContact O-N 3.12Å; R622-A626 VanDerWaalsContact O-N 3.09Å; A623-A626 WeakPolarHBondContact O-CB 3.38Å; A623-A626 PolarHBondContact O-N 3.42Å; W624-A626 VanDerWaalsContact C-N 3.29Å; W624-A626 PolarHBondContact O-N 3.05Å; A626-T628 PolarHBondContact O-N 2.9Å; A626-H629 WeakPolarHBondContact O-CB 3.2Å; A626-H629 PolarHBondContact O-N 2.88Å; A626-V633 HydrophobicContact CB-CG2 3.91Å
627	E	95.9	Very high	95.9	Very high	82 Å²	82	30.1 Å²	30.1	38%	0.383	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-28.9	176.7	-70.5	178.1	166.6	0	0	113.2	A623 W624 H629 G630 Y631 V633	A623-E627 WeakPolarHBondContact O-CG 3.29Å; A623-E627 PolarHBondContact O-N 2.7Å; W624-E627 PolarHBondContact O-N 3.46Å; E627-H629 PolarHBondContact O-N 3.08Å; E627-H629 VanDerWaalsContact O-N 3.12Å; E627-G630 WeakPolarHBondContact O-CA 3.24Å; E627-G630 PolarHBondContact O-N 3.38Å; E627-Y631 WeakPolarHBondContact CG-O 3.4Å; E627-V633 HydrophobicContact CG-CB 4.24Å; E627-V633 HydrophobicContact CG-CG2 3.98Å
628	T	94.9	Very high	95.8	Very high	104 Å²	104	29.8 Å²	29.8	64%	0.638	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.2	172.4	64.5	0	0	0	0	113.3	W624 A625 A626 G630	W624-T628 WeakPolarHBondContact O-CG2 3.32Å; W624-T628 PolarHBondContact O-N 3.35Å; A625-T628 PolarHBondContact O-OG1 3.01Å; A626-T628 PolarHBondContact O-N 2.9Å; T628-G630 VanDerWaalsContact C-N 3.33Å
629	H	94.9	Very high	95.7	Very high	112 Å²	112	33.1 Å²	33.1	52%	0.519	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	13.1	174.1	-58.8	75.7	0	0	0	112.2	I550 A625 A626 E627 Y631	I550-H629 HydrophobicContact CG2-CB 3.94Å; A625-H629 PolarHBondContact O-ND1 2.94Å; A625-H629 VanDerWaalsContact O-ND1 3.11Å; A626-H629 WeakPolarHBondContact O-CB 3.2Å; A626-H629 PolarHBondContact O-N 2.88Å; E627-H629 PolarHBondContact O-N 3.08Å; E627-H629 VanDerWaalsContact O-N 3.12Å; H629-Y631 HydrophobicContact CB-CD2 4.14Å; H629-Y631 HydrophobicContact CB-CE2 4.49Å
630	G	95.1	Very high	95.5	Very high	43 Å²	43	35.4 Å²	35.4	44%	0.443	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	9.7	178.1	0	0	0	0	0	115	E627 T628 P655	E627-G630 WeakPolarHBondContact O-CA 3.24Å; E627-G630 PolarHBondContact O-N 3.38Å; T628-G630 VanDerWaalsContact C-N 3.33Å; G630-P655 WeakPolarHBondContact O-CD 3.41Å; G630-P655 VanDerWaalsContact O-CG 3.32Å; G630-P655 WeakPolarHBondContact O-CG 3.39Å
631	Y	97	Very high	95.2	Very high	14 Å²	14	40.9 Å²	40.9	6%	0.055	22%	0.223	C	C	.	.			trans	-72.5	147.4	175.3	-80.9	-109.6	0	0	0	111.2	C549 I550 G553 A554 F556 E627 H629 R653 P654	C549-Y631 PolarHBondContact O-OH 2.87Å; C549-Y631 VanDerWaalsContact O-OH 3.13Å; I550-Y631 WeakPolarHBondContact CA-OH 3.34Å; I550-Y631 HydrophobicContact CB-CE2 4.4Å; I550-Y631 HydrophobicContact CG1-CD2 4.45Å; I550-Y631 HydrophobicContact CG1-CE2 4.06Å; I550-Y631 HydrophobicContact CG2-CE2 4.36Å; G553-Y631 VanDerWaalsContact C-OH 3.31Å; G553-Y631 WeakPolarHBondContact CA-OH 3.34Å; A554-Y631 PolarHBondContact N-OH 3.22Å; A554-Y631 WeakPolarHBondContact O-CE1 3.38Å; A554-Y631 PolarHBondContact O-OH 3.27Å; F556-Y631 HydrophobicContact CD1-CD1 4.19Å; F556-Y631 HydrophobicContact CD1-CE1 4.06Å; F556-Y631 AromaticContact CE1-CD1 3.68Å; F556-Y631 HydrophobicContact CE1-CD1 3.68Å; F556-Y631 AromaticContact CE1-CE1 3.97Å; F556-Y631 HydrophobicContact CE1-CE1 3.97Å; F556-Y631 HydrophobicContact CE1-CG 4.43Å; E627-Y631 WeakPolarHBondContact CG-O 3.4Å; H629-Y631 HydrophobicContact CB-CD2 4.14Å; H629-Y631 HydrophobicContact CB-CE2 4.49Å; Y631-R653 WeakPolarHBondContact CA-O 3.48Å; Y631-P654 HydrophobicContact CD1-CB 4.39Å; Y631-P654 HydrophobicContact CE1-CB 3.76Å; Y631-P654 HydrophobicContact CE1-CG 4.4Å; Y631-P654 HydrophobicContact CE2-CB 4.33Å
632	S	96	Very high	95	Very high	59 Å²	59	44.8 Å²	44.8	41%	0.413	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.7	160.4	177.2	0	0	0	0	108.2	G652 R653	S632-G652 CarbonylContact O-C 3.33Å; S632-G652 WeakPolarHBondContact O-CA 3.39Å; S632-R653 PolarHBondContact N-O 3.11Å; S632-R653 PolarHBondContact O-N 3.5Å
633	V	96.2	Very high	94.7	Very high	15 Å²	15	44.4 Å²	44.4	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.5	-174.5	-169.5	0	0	0	0	111.3	F556 A623 A626 E627 L650 M651	F556-V633 HydrophobicContact CE2-CG1 4.15Å; F556-V633 HydrophobicContact CZ-CG1 4.04Å; F556-V633 HydrophobicContact CZ-CG2 3.9Å; A623-V633 HydrophobicContact CB-CB 3.99Å; A623-V633 HydrophobicContact CB-CG1 3.56Å; A626-V633 HydrophobicContact CB-CG2 3.91Å; E627-V633 HydrophobicContact CG-CB 4.24Å; E627-V633 HydrophobicContact CG-CG2 3.98Å; V633-L650 HydrophobicContact CG1-CD2 4.34Å; V633-M651 CarbonylContact C-O 3.57Å; V633-M651 VanDerWaalsContact CA-O 3.31Å; V633-M651 WeakPolarHBondContact CA-O 3.02Å
634	Q	95.3	Very high	94.4	Very high	58 Å²	58	44.8 Å²	44.8	27%	0.271	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124	175.3	-67.1	177.3	-27.5	0	0	109.2	M636 M651	Q634-M636 HydrophobicContact CB-CE 3.71Å; Q634-M651 PolarHBondContact N-O 3.45Å; Q634-M651 PolarHBondContact O-N 3.43Å
635	V	95.8	Very high	94	Very high	8 Å²	8	43.6 Å²	43.6	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.7	167.4	-169.7	0	0	0	0	106.9	F412 S413 D619 A623 L650	F412-V635 CarbonylContact C-O 3.5Å; F412-V635 VanDerWaalsContact CA-O 3.28Å; F412-V635 WeakPolarHBondContact CA-O 3.43Å; F412-V635 HydrophobicContact CD1-CG1 4.02Å; F412-V635 HydrophobicContact CE1-CG1 4.06Å; S413-V635 PolarHBondContact N-O 3.09Å; D619-V635 HydrophobicContact CB-CG1 3.9Å; A623-V635 HydrophobicContact CB-CG2 3.83Å; V635-L650 HydrophobicContact CB-CD2 4.36Å; V635-L650 HydrophobicContact CG1-CD2 4.36Å; V635-L650 HydrophobicContact CG2-CD2 3.74Å
636	M	94.8	Very high	93.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166	-176.9	59.7	-174.3	63.3	0	0	112.1	S413 Q634 N648 M649 M651	S413-M636 WeakPolarHBondContact O-CB 3.23Å; Q634-M636 HydrophobicContact CB-CE 3.71Å; M636-N648 WeakPolarHBondContact O-CA 3.37Å; M636-M649 HydrophobicContact CG-CB 4.04Å; M636-M649 HydrophobicContact CG-CE 3.98Å; M636-M649 WeakPolarHBondContact CG-O 3.24Å; M636-M649 PolarHBondContact N-O 3.21Å; M636-M649 PolarHBondContact O-N 3.42Å; M636-M649 HydrophobicContact SD-CE 3.46Å; M636-M649 WeakPolarHBondContact SD-CE 3.45Å; M636-M651 HydrophobicContact CE-CB 4.2Å
637	T	94.8	Very high	93.6	Very high	17 Å²	17	44.5 Å²	44.5	10%	0.104	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.4	172.2	-61.7	0	0	0	0	109.3	K612 E641 N647	K612-T637 PolarHBondContact NZ-OG1 2.82Å; T637-E641 HydrophobicContact CG2-CG 3.98Å; T637-N647 CarbonylContact C-O 3.32Å; T637-N647 WeakPolarHBondContact CA-O 3.48Å; T637-N647 HydrophobicContact CG2-CB 4.33Å
638	M	94.9	Very high	93.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.			trans	-66.9	143.9	174	-65.8	179.9	-180	0	0	111.1	Q449 N452 L453 L535 S559 P640 E641 C643 N647 M649	Q449-M638 HydrophobicContact CB-SD 4.35Å; Q449-M638 HydrophobicContact CG-SD 4.04Å; N452-M638 HydrophobicContact CB-CB 4.3Å; N452-M638 HydrophobicContact CB-CG 4Å; N452-M638 HydrophobicContact CB-SD 4.47Å; N452-M638 WeakPolarHBondContact OD1-CA 3.46Å; N452-M638 WeakPolarHBondContact OD1-CB 3.29Å; L453-M638 HydrophobicContact CD1-CE 3.45Å; L453-M638 VanDerWaalsContact CD1-CE 3.45Å; L535-M638 HydrophobicContact CD1-CE 4.25Å; S559-M638 WeakPolarHBondContact OG-CE 3.48Å; M638-P640 CarbonylContact O-C 3.35Å; M638-P640 VanDerWaalsContact O-C 3.32Å; M638-E641 PolarHBondContact O-N 3.49Å; M638-C643 VanDerWaalsContact CB-SG 3.56Å; M638-N647 HydrophobicContact CB-CB 4.12Å; M638-N647 PolarHBondContact N-O 3.36Å; M638-M649 HydrophobicContact CE-CB 4.14Å; M638-M649 HydrophobicContact CE-CG 4.43Å; M638-M649 HydrophobicContact CE-SD 4.21Å; M638-M649 HydrophobicContact CG-CB 4.3Å
639	E	93.4	Very high	93.6	Very high	70 Å²	70	35.7 Å²	35.7	33%	0.327	21%	0.205	S	C	.	.	S	Bend	trans	-111.3	131.6	179.6	-68.3	-65.2	171.7	0	0	111.9	H415 P418 N452	H415-E639 HydrophobicContact CB-CG 3.89Å; P418-E639 HydrophobicContact CB-CB 4.14Å; P418-E639 HydrophobicContact CB-CG 3.97Å; N452-E639 PolarHBondContact ND2-O 3.34Å; N452-E639 PolarHBondContact OD1-N 3.36Å
640	P	93.2	Very high	93.6	Very high	48 Å²	48	30.4 Å²	30.4	31%	0.312	18%	0.181	S	C	.	.	S	Bend	cis	-71.4	153.4	-5.3	31.7	-36	0	0	0	111.8	Q448 M638 S642 C643	Q448-P640 HydrophobicContact CG-CG 4.23Å; M638-P640 CarbonylContact O-C 3.35Å; M638-P640 VanDerWaalsContact O-C 3.32Å; P640-S642 PolarHBondContact O-N 2.78Å; P640-C643 VanDerWaalsContact O-CB 3.29Å; P640-C643 WeakPolarHBondContact O-CB 3.33Å; P640-C643 PolarHBondContact O-N 3.31Å; P640-C643 PolarHBondContact O-SG 2.73Å
641	E	90.4	Very high	93.7	Very high	128 Å²	128	28.3 Å²	28.3	60%	0.598	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-53.6	-25.9	177.5	-65.1	-168	178.6	0	0	113.7	T637 M638 C643 N647	T637-E641 HydrophobicContact CG2-CG 3.98Å; M638-E641 PolarHBondContact O-N 3.49Å; E641-C643 PolarHBondContact O-N 3.01Å; E641-N647 WeakPolarHBondContact CA-ND2 3.43Å; E641-N647 PolarHBondContact O-ND2 2.98Å
642	S	90.3	Very high	93.7	Very high	82 Å²	82	27.7 Å²	27.7	57%	0.573	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-72.7	-8.5	179.1	62.3	0	0	0	0	114.4	P640 S644	P640-S642 PolarHBondContact O-N 2.78Å; S642-S644 PolarHBondContact O-N 3.27Å
643	C	91.2	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59.9	-29.8	-179.2	78	0	0	0	0	112.4	R445 Q448 Q449 M638 P640 E641	R445-C643 VanDerWaalsContact CB-O 3.28Å; R445-C643 WeakPolarHBondContact CB-O 3.43Å; Q448-C643 HydrophobicContact CB-CB 3.58Å; Q449-C643 HydrophobicContact CG-CB 4.11Å; Q449-C643 PolarHBondContact NE2-O 3.43Å; M638-C643 VanDerWaalsContact CB-SG 3.56Å; P640-C643 VanDerWaalsContact O-CB 3.29Å; P640-C643 WeakPolarHBondContact O-CB 3.33Å; P640-C643 PolarHBondContact O-N 3.31Å; P640-C643 PolarHBondContact O-SG 2.73Å; E641-C643 PolarHBondContact O-N 3.01Å
644	S	90.3	Very high	93.6	Very high	12 Å²	12	26.3 Å²	26.3	8%	0.084	14%	0.142	C	C	.	.			trans	-165.6	141	-179.4	-179.8	0	0	0	0	110.5	S642 K646 N647	S642-S644 PolarHBondContact O-N 3.27Å; S644-K646 WeakPolarHBondContact CB-O 3.49Å; S644-K646 PolarHBondContact O-N 3.47Å; S644-K646 VanDerWaalsContact OG-C 3.26Å; S644-K646 WeakPolarHBondContact OG-CA 3.46Å; S644-K646 PolarHBondContact OG-N 3.41Å; S644-K646 PolarHBondContact OG-O 3.34Å; S644-N647 WeakPolarHBondContact O-CB 3.25Å
645	P	88	Confident	93	Very high	45 Å²	45	27 Å²	27	29%	0.292	15%	0.151	S	C	.	.	S	Bend	trans	-61.5	-21.5	165	-22.7	34.6	0	0	0	113.2	T599 V601	T599-P645 VanDerWaalsContact CB-O 3.29Å; T599-P645 WeakPolarHBondContact CB-O 3.19Å; T599-P645 PolarHBondContact OG1-O 3.28Å; V601-P645 HydrophobicContact CG2-CG 4.16Å
646	K	90.5	Very high	91.9	Very high	28 Å²	28	35.2 Å²	35.2	12%	0.122	19%	0.189	C	C	.	.	S	Bend	trans	-108.7	78.9	171.6	-58.2	-58.5	179.4	-152.8	0	107.8	C561 Y563 A596 D597 T599 M615 S644	C561-K646 HydrophobicContact CB-CB 4.42Å; C561-K646 HydrophobicContact CB-CG 4.44Å; Y563-K646 HydrophobicContact CD2-CD 4.42Å; Y563-K646 HydrophobicContact CE2-CD 4.24Å; A596-K646 PolarHBondContact O-NZ 3.5Å; D597-K646 PolarHBondContact O-NZ 2.8Å; D597-K646 WeakPolarHBondContact OD1-CE 3.37Å; D597-K646 IonicContact OD1-NZ 2.68Å; T599-K646 WeakPolarHBondContact OG1-CE 3.33Å; T599-K646 PolarHBondContact OG1-NZ 3.33Å; M615-K646 HydrophobicContact CE-CB 4.35Å; M615-K646 HydrophobicContact CE-CD 3.84Å; M615-K646 HydrophobicContact SD-CD 3.62Å; S644-K646 WeakPolarHBondContact CB-O 3.49Å; S644-K646 PolarHBondContact O-N 3.47Å; S644-K646 VanDerWaalsContact OG-C 3.26Å; S644-K646 WeakPolarHBondContact OG-CA 3.46Å; S644-K646 PolarHBondContact OG-N 3.41Å; S644-K646 PolarHBondContact OG-O 3.34Å
647	N	92.7	Very high	90.6	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.053	20%	0.197	C	C	.	.			trans	-110.9	19.8	-173.3	57.4	1.3	0	0	0	112.6	K612 T637 M638 E641 S644	K612-N647 PolarHBondContact NZ-OD1 3.08Å; T637-N647 CarbonylContact C-O 3.32Å; T637-N647 WeakPolarHBondContact CA-O 3.48Å; T637-N647 HydrophobicContact CG2-CB 4.33Å; M638-N647 HydrophobicContact CB-CB 4.12Å; M638-N647 PolarHBondContact N-O 3.36Å; E641-N647 WeakPolarHBondContact CA-ND2 3.43Å; E641-N647 PolarHBondContact O-ND2 2.98Å; S644-N647 WeakPolarHBondContact O-CB 3.25Å
648	N	94.6	Very high	88.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	145.9	169.5	-75.8	14.8	0	0	0	109.8	S559 K612 M615 D619 M636	S559-N648 PolarHBondContact OG-O 2.78Å; K612-N648 PolarHBondContact NZ-OD1 2.93Å; M615-N648 WeakPolarHBondContact CB-ND2 3.21Å; M615-N648 HydrophobicContact CE-CB 3.91Å; D619-N648 VanDerWaalsContact OD2-CB 3.32Å; D619-N648 WeakPolarHBondContact OD2-CB 3.36Å; D619-N648 PolarHBondContact OD2-ND2 3.11Å; M636-N648 WeakPolarHBondContact O-CA 3.37Å
649	M	95.3	Very high	85.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.6	173.2	-172	168.6	68.7	0	0	109.3	N452 L453 M456 I557 I558 M636 M638	N452-M649 HydrophobicContact CB-CE 4.42Å; N452-M649 HydrophobicContact CB-SD 4.41Å; L453-M649 HydrophobicContact CD1-SD 3.86Å; L453-M649 HydrophobicContact CG-SD 4.21Å; M456-M649 HydrophobicContact CG-CE 3.53Å; M456-M649 HydrophobicContact CG-SD 4.44Å; M456-M649 HydrophobicContact SD-CE 4.48Å; I557-M649 HydrophobicContact CG2-CG 4.02Å; I557-M649 HydrophobicContact CG2-SD 3.61Å; I558-M649 CarbonylContact O-C 3.41Å; I558-M649 WeakPolarHBondContact O-CA 3.44Å; M636-M649 HydrophobicContact CG-CB 4.04Å; M636-M649 HydrophobicContact CG-CE 3.98Å; M636-M649 WeakPolarHBondContact CG-O 3.24Å; M636-M649 PolarHBondContact N-O 3.21Å; M636-M649 PolarHBondContact O-N 3.42Å; M636-M649 HydrophobicContact SD-CE 3.46Å; M636-M649 WeakPolarHBondContact SD-CE 3.45Å; M638-M649 HydrophobicContact CE-CB 4.14Å; M638-M649 HydrophobicContact CE-CG 4.43Å; M638-M649 HydrophobicContact CE-SD 4.21Å; M638-M649 HydrophobicContact CG-CB 4.3Å
650	L	96.4	Very high	83	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.9	175.3	-73.5	166.9	0	0	0	108.2	L546 F556 I557 I558 P560 D619 R622 A623 V633 V635	L546-L650 HydrophobicContact CD1-CD1 4.45Å; F556-L650 HydrophobicContact CE2-CB 4.2Å; I557-L650 WeakPolarHBondContact CA-O 3.39Å; I558-L650 PolarHBondContact N-O 3.15Å; I558-L650 PolarHBondContact O-N 2.99Å; P560-L650 HydrophobicContact CG-CD1 3.83Å; P560-L650 HydrophobicContact CG-CG 4.45Å; D619-L650 HydrophobicContact CB-CD1 4.44Å; D619-L650 HydrophobicContact CB-CD2 4.11Å; D619-L650 HydrophobicContact CB-CG 4.41Å; R622-L650 HydrophobicContact CB-CD1 4.42Å; A623-L650 HydrophobicContact CB-CD2 4.32Å; V633-L650 HydrophobicContact CG1-CD2 4.34Å; V635-L650 HydrophobicContact CB-CD2 4.36Å; V635-L650 HydrophobicContact CG1-CD2 4.36Å; V635-L650 HydrophobicContact CG2-CD2 3.74Å
651	M	96.5	Very high	80.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121	172.6	-173.6	-166.5	-164.9	0	0	109.8	M456 L460 F556 V633 Q634 M636 R653	M456-M651 HydrophobicContact CB-CE 4.48Å; M456-M651 HydrophobicContact CE-CE 3.42Å; M456-M651 VanDerWaalsContact CE-CE 3.42Å; M456-M651 HydrophobicContact CE-SD 3.2Å; M456-M651 WeakPolarHBondContact CE-SD 3.36Å; L460-M651 HydrophobicContact CD1-CE 3.44Å; L460-M651 VanDerWaalsContact CD1-CE 3.44Å; L460-M651 HydrophobicContact CD2-CE 3.85Å; L460-M651 HydrophobicContact CG-CE 3.65Å; F556-M651 CarbonylContact O-C 3.56Å; F556-M651 VanDerWaalsContact O-CA 3.3Å; F556-M651 WeakPolarHBondContact O-CA 3.24Å; V633-M651 CarbonylContact C-O 3.57Å; V633-M651 VanDerWaalsContact CA-O 3.31Å; V633-M651 WeakPolarHBondContact CA-O 3.02Å; Q634-M651 PolarHBondContact N-O 3.45Å; Q634-M651 PolarHBondContact O-N 3.43Å; M636-M651 HydrophobicContact CE-CB 4.2Å; M651-R653 PolarHBondContact SD-NH1 3.37Å; M651-R653 VanDerWaalsContact SD-NH1 3.44Å
652	G	96.6	Very high	77.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.3	176.9	0	0	0	0	0	112.3	A555 F556 S632	A555-G652 VanDerWaalsContact CA-O 3.3Å; A555-G652 WeakPolarHBondContact CA-O 3.47Å; A555-G652 WeakPolarHBondContact CB-O 3.43Å; F556-G652 VanDerWaalsContact CE2-N 3.29Å; F556-G652 VanDerWaalsContact CZ-CA 3.44Å; F556-G652 PolarHBondContact N-O 3.47Å; F556-G652 PolarHBondContact O-N 3.4Å; S632-G652 CarbonylContact O-C 3.33Å; S632-G652 WeakPolarHBondContact O-CA 3.39Å
653	R	96.3	Very high	75.1	Confident	41 Å²	41	48.4 Å²	48.4	16%	0.155	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.9	172.5	-64.7	-176.9	-179.6	86.2	-7.3	110	E459 L460 Y631 S632 M651 T658	E459-R653 IonicContact OE1-CZ 3.11Å; E459-R653 IonicContact OE1-NH2 2.99Å; E459-R653 PolarHBondContact OE1-NH2 3.35Å; L460-R653 HydrophobicContact CD2-CG 4.2Å; Y631-R653 WeakPolarHBondContact CA-O 3.48Å; S632-R653 PolarHBondContact N-O 3.11Å; S632-R653 PolarHBondContact O-N 3.5Å; M651-R653 PolarHBondContact SD-NH1 3.37Å; M651-R653 VanDerWaalsContact SD-NH1 3.44Å; R653-T658 HydrophobicContact CB-CG2 4.39Å
654	P	94.4	Very high	72.3	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.032	34%	0.335	C	S	.	.			trans	-71.7	157.4	176.3	30	-35.2	0	0	0	111	G553 Y631 Q656 R657	G553-P654 WeakPolarHBondContact O-CG 3.42Å; Y631-P654 HydrophobicContact CD1-CB 4.39Å; Y631-P654 HydrophobicContact CE1-CB 3.76Å; Y631-P654 HydrophobicContact CE1-CG 4.4Å; Y631-P654 HydrophobicContact CE2-CB 4.33Å; P654-Q656 PolarHBondContact O-N 3.42Å; P654-Q656 VanDerWaalsContact O-N 3.08Å; P654-R657 HydrophobicContact CG-CB 3.86Å; P654-R657 PolarHBondContact O-N 3.27Å
655	P	83.6	Confident	69.4	Low	71 Å²	71	63 Å²	63	46%	0.461	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56.9	-29.3	-177.4	-10.4	11	0	0	0	114.3	G630 R657 T658	G630-P655 WeakPolarHBondContact O-CD 3.41Å; G630-P655 VanDerWaalsContact O-CG 3.32Å; G630-P655 WeakPolarHBondContact O-CG 3.39Å; P655-R657 VanDerWaalsContact C-N 3.26Å; P655-R657 PolarHBondContact O-N 2.87Å; P655-T658 PolarHBondContact O-OG1 3.14Å
656	Q	72.2	Confident	66.8	Low	182 Å²	182	68 Å²	68	85%	0.85	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-78.2	-10.9	-177.3	-65.7	167.2	-3.2	0	0	113.1	P654	P654-Q656 PolarHBondContact O-N 3.42Å; P654-Q656 VanDerWaalsContact O-N 3.08Å
657	R	67.6	Low	63.9	Low	43 Å²	43	74.7 Å²	74.7	16%	0.162	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-115.4	4.8	-174.3	-149.7	178	-174.5	155.5	6.5	112.9	L460 D465 Q530 I531 P654 P655 A659	L460-R657 PolarHBondContact O-NH2 2.93Å; D465-R657 IonicContact OD2-CZ 3.81Å; D465-R657 IonicContact OD2-NH2 2.67Å; D465-R657 PolarHBondContact OD2-NH2 3.15Å; Q530-R657 PolarHBondContact O-NH1 3.09Å; I531-R657 VanDerWaalsContact CG1-NH1 3.35Å; P654-R657 HydrophobicContact CG-CB 3.86Å; P654-R657 PolarHBondContact O-N 3.27Å; P655-R657 VanDerWaalsContact C-N 3.26Å; P655-R657 PolarHBondContact O-N 2.87Å; R657-A659 PolarHBondContact O-N 2.9Å
658	T	52.7	Low	62.5	Low	89 Å²	89	78 Å²	78	55%	0.546	47%	0.474	S	S	.	.	S	Bend	trans	-81.2	1.6	177	46.8	0	0	0	0	113.6	R653 P655	R653-T658 HydrophobicContact CB-CG2 4.39Å; P655-T658 PolarHBondContact O-OG1 3.14Å
659	A	38.3	Very low	60.8	Low	71 Å²	71	82.1 Å²	82.1	59%	0.587	50%	0.499	S	S	*	.	S	Bend	trans	-114.4	130.4	175.3	0	0	0	0	0	111.4	R657	R657-A659 PolarHBondContact O-N 2.9Å
660	E	32.7	Very low	58.9	Low	151 Å²	151	86.6 Å²	86.6	71%	0.706	53%	0.527	S	S	*	.			trans	84.5	98.2	179.6	-55.5	-161.4	167.5	0	0	116.7	R462 A662	R462-E660 PolarHBondContact NH2-O 3.12Å; R462-E660 VanDerWaalsContact NH2-O 3.14Å; E660-A662 PolarHBondContact O-N 3.23Å
661	P	36.2	Very low	56.7	Low	126 Å²	126	91.6 Å²	91.6	82%	0.818	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-57.9	137.6	159.7	25	-30.9	0	0	0	109.1	G663	P661-G663 PolarHBondContact O-N 3.28Å
662	A	38.5	Very low	54.2	Low	77 Å²	77	97.4 Å²	97.4	64%	0.636	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-53.5	118	167	0	0	0	0	0	107.4	E660 H664	E660-A662 PolarHBondContact O-N 3.23Å; A662-H664 PolarHBondContact O-N 3.27Å; A662-H664 VanDerWaalsContact O-N 3.16Å
663	G	33.1	Very low	51.4	Low	65 Å²	65	103.9 Å²	103.9	67%	0.67	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-50.8	126.2	175.6	0	0	0	0	0	108.8	P661 V665	P661-G663 PolarHBondContact O-N 3.28Å; G663-V665 PolarHBondContact O-N 3.42Å
664	H	31.2	Very low	48.1	Very low	186 Å²	186	108.4 Å²	108.4	86%	0.861	67%	0.666	S	S	*	*			trans	-49.4	107.1	169	-90.7	-38.4	0	0	0	108.4	A662	A662-H664 PolarHBondContact O-N 3.27Å; A662-H664 VanDerWaalsContact O-N 3.16Å
665	V	30.6	Very low	44.6	Very low	131 Å²	131	116.3 Å²	116.3	79%	0.794	72%	0.715	S	S	*	*			trans	-93.5	93.8	159	-175.2	0	0	0	0	104.4	G663 A667	G663-V665 PolarHBondContact O-N 3.42Å; V665-A667 PolarHBondContact O-N 2.98Å
666	D	32.6	Very low	41.3	Very low	152 Å²	152	120.1 Å²	120.1	81%	0.813	74%	0.736	S	S	*	*			trans	-56.6	120.2	161	-78.1	-34	0	0	0	107.6
667	A	30.4	Very low	38.5	Very low	168 Å²	168	114.5 Å²	114.5	100%	1.388	73%	0.726	S	S	*	*			trans	-131.3	0	166.9	0	0	0	0	0	109.3	V665	V665-A667 PolarHBondContact O-N 2.98Å

Retrieved 667 of 667 residues in 736 ms (Link to these results)

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