A0A087YAU8_POEFO Loading...

procollagen-proline 3-dioxygenase

AlphaFold DB , UniProt , Accession A0A087YAU8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 726 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	32.3	Very low	28.9	Very low	232 Å²	232	157.9 Å²	157.9	100%	1.143	87%	0.865	S	S	*	*				0	113.5	0	-92.4	167.9	166.1	0	0	107.3
2	V	24.8	Very low	29.5	Very low	127 Å²	127	155.1 Å²	155.1	77%	0.77	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-92.3	121.6	-179.9	176.2	0	0	0	0	107	I4	V2-I4 HydrophobicContact CG1-CG1 4Å
3	F	26.5	Very low	29.3	Very low	199 Å²	199	150.4 Å²	150.4	87%	0.873	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-100.2	116.5	166.3	-93	-80.7	0	0	0	109.5
4	I	29.8	Very low	29.1	Very low	138 Å²	138	149.6 Å²	149.6	71%	0.708	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-89.6	118.9	178.6	-62.5	173.7	0	0	0	107.2	V2 R6	V2-I4 HydrophobicContact CG1-CG1 4Å; I4-R6 PolarHBondContact O-N 3.44Å
5	C	26.3	Very low	29	Very low	125 Å²	125	146.1 Å²	146.1	85%	0.845	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-76.7	118.3	166.4	-87.6	0	0	0	0	109.8
6	R	29.6	Very low	28.9	Very low	241 Å²	241	146.3 Å²	146.3	91%	0.909	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-79.6	125.5	173.8	-80.7	-178.9	171.7	-174.6	-2.2	110.1	I4	I4-R6 PolarHBondContact O-N 3.44Å
7	H	31.1	Very low	28.7	Very low	190 Å²	190	141.8 Å²	141.8	88%	0.88	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-82	127.9	159.1	-79.1	-7.8	0	0	0	109.8
8	S	29.1	Very low	28.5	Very low	125 Å²	125	140.6 Å²	140.6	87%	0.874	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-89	120.5	170.3	51.1	0	0	0	0	110
9	S	29.6	Very low	28.5	Very low	123 Å²	123	138 Å²	138	86%	0.86	84%	0.841	S	S	*	*			trans	-108	144.7	171.5	50.4	0	0	0	0	110.8
10	S	28.5	Very low	28.5	Very low	114 Å²	114	136.7 Å²	136.7	80%	0.797	84%	0.838	S	S	*	*			trans	-141.2	101.8	165.9	63.1	0	0	0	0	111.5
11	S	30.3	Very low	28.5	Very low	123 Å²	123	141 Å²	141	86%	0.86	84%	0.839	S	S	*	*			trans	64.7	153.9	142.3	-70.7	0	0	0	0	123.7
12	P	35.5	Very low	28.5	Very low	124 Å²	124	136.4 Å²	136.4	81%	0.805	82%	0.824	S	S	*	*			trans	-118.5	157.1	-141.4	39.8	-27.3	0	0	0	115.2
13	A	27.1	Very low	28.8	Very low	94 Å²	94	138.2 Å²	138.2	78%	0.777	83%	0.826	S	S	*	*			trans	-146.1	109.8	157.6	0	0	0	0	0	111.3
14	T	27.1	Very low	29.1	Very low	139 Å²	139	133.3 Å²	133.3	85%	0.853	82%	0.822	S	S	*	*			trans	41.7	117.8	148.3	50	0	0	0	0	121.1
15	A	28	Very low	29.3	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	83%	0.829	S	S	*	*			trans	-69.7	142.9	171.2	0	0	0	0	0	114.6
16	V	27.3	Very low	29.7	Very low	149 Å²	149	139.8 Å²	139.8	90%	0.903	83%	0.831	S	S	*	*			trans	-143.4	124	135.8	-178.1	0	0	0	0	107
17	G	25.5	Very low	30.5	Very low	71 Å²	71	131.4 Å²	131.4	73%	0.732	81%	0.81	S	S	*	*			trans	-91.6	174.3	-162.7	0	0	0	0	0	116.7
18	S	25	Very low	32.2	Very low	119 Å²	119	131.2 Å²	131.2	83%	0.832	81%	0.81	S	S	*	*				-169.3	141.2	127.5	63.8	0	0	0	0	111.2
19	A	27.2	Very low	34.5	Very low	92 Å²	92	129.2 Å²	129.2	76%	0.76	79%	0.786	S	S	*	*			trans	51.3	96.1	156.3	0	0	0	0	0	119.3	R21	A19-R21 PolarHBondContact O-N 3.37Å
20	S	30.1	Very low	36.8	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	76%	0.76	S	S	*	*			trans	-53.9	112.9	152.7	-172.3	0	0	0	0	110.7
21	R	28.7	Very low	39.4	Very low	228 Å²	228	124 Å²	124	86%	0.86	74%	0.738	S	S	*	*			trans	-115.6	92.1	154.2	-90	-175.4	175.4	-176.2	-0.3	107.3	A19 M23	A19-R21 PolarHBondContact O-N 3.37Å; R21-M23 PolarHBondContact O-N 3.07Å
22	T	31.8	Very low	42.3	Very low	135 Å²	135	119.4 Å²	119.4	83%	0.828	71%	0.705	S	S	*	*			trans	-62.6	87.9	157.8	12	0	0	0	0	108.2
23	M	30.6	Very low	45.1	Very low	165 Å²	165	114.6 Å²	114.6	81%	0.813	67%	0.671	S	S	*	*			trans	-78.4	115.1	160.3	-103.9	-172.7	156.7	0	0	107.5	R21 L25	R21-M23 PolarHBondContact O-N 3.07Å; M23-L25 PolarHBondContact O-N 3.21Å
24	A	31.9	Very low	48.2	Very low	95 Å²	95	112.3 Å²	112.3	79%	0.785	65%	0.646	S	S	*	*			trans	-60.7	105.4	164.1	0	0	0	0	0	108.6	R26	A24-R26 VanDerWaalsContact C-N 3.34Å; A24-R26 PolarHBondContact O-N 3.28Å
25	L	33.8	Very low	51.3	Low	163 Å²	163	111.4 Å²	111.4	85%	0.853	63%	0.631	S	S	*	*			trans	-68.8	95.7	162.6	-107.8	86.6	0	0	0	107.1	M23 S27	M23-L25 PolarHBondContact O-N 3.21Å; L25-S27 PolarHBondContact O-N 3.43Å
26	R	35.3	Very low	54.5	Low	236 Å²	236	107.1 Å²	107.1	89%	0.891	59%	0.594	S	S	*	*			trans	-74.6	100.9	151.1	-76.5	-176.7	175.6	-177	-1.4	105.5	A24 E28	A24-R26 VanDerWaalsContact C-N 3.34Å; A24-R26 PolarHBondContact O-N 3.28Å; R26-E28 PolarHBondContact O-N 3.47Å; R26-E28 VanDerWaalsContact O-N 3.13Å
27	S	47.1	Very low	57.8	Low	66 Å²	66	100.4 Å²	100.4	46%	0.462	55%	0.553	S	S	.	*			trans	-67.9	104.7	165.5	48.6	0	0	0	0	107.4	L25 H29	L25-S27 PolarHBondContact O-N 3.43Å; S27-H29 PolarHBondContact O-N 3.25Å
28	E	65.6	Low	61	Low	186 Å²	186	102.4 Å²	102.4	87%	0.869	54%	0.539	S	S	*	.			trans	-65	104.7	165	-89.4	-176.6	154.4	0	0	107.5	R26	R26-E28 PolarHBondContact O-N 3.47Å; R26-E28 VanDerWaalsContact O-N 3.13Å
29	H	78.7	Confident	64.4	Low	83 Å²	83	98 Å²	98	38%	0.384	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-65.1	147.4	172.2	-60	113.5	0	0	0	110.3	S27 T31 A120	S27-H29 PolarHBondContact O-N 3.25Å; H29-T31 PolarHBondContact O-N 2.64Å; H29-A120 HydrophobicContact CB-CB 3.71Å
30	F	76.8	Confident	67.7	Low	72 Å²	72	93.6 Å²	93.6	32%	0.316	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-60.6	136.5	173.6	-59.4	-53.6	0	0	0	111.5	T62 A65 S118 V119	F30-T62 HydrophobicContact CB-CG2 3.87Å; F30-T62 HydrophobicContact CG-CG2 4.35Å; F30-A65 HydrophobicContact CE1-CB 4.22Å; F30-A65 HydrophobicContact CE2-CB 4.2Å; F30-A65 HydrophobicContact CZ-CB 3.9Å; F30-S118 WeakPolarHBondContact CD2-O 3.36Å; F30-S118 PolarHBondContact N-O 2.98Å; F30-V119 HydrophobicContact CD2-CG2 4.35Å
31	T	84.6	Confident	70.6	Confident	55 Å²	55	89.3 Å²	89.3	34%	0.337	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-73.9	137.5	166.8	-54	0	0	0	0	108.6	H29 Y33 F35 L36 T62	H29-T31 PolarHBondContact O-N 2.64Å; T31-Y33 PolarHBondContact O-N 3.07Å; T31-F35 HydrophobicContact CG2-CD1 3.77Å; T31-F35 HydrophobicContact CG2-CE1 4.4Å; T31-L36 HydrophobicContact CG2-CD1 4.5Å; T31-L36 HydrophobicContact CG2-CD2 4.02Å; T31-L36 HydrophobicContact CG2-CG 3.99Å; T31-T62 VanDerWaalsContact O-CG2 3.26Å; T31-T62 WeakPolarHBondContact O-CG2 3.47Å
32	P	91	Very high	73.6	Confident	26 Å²	26	87.4 Å²	87.4	17%	0.169	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-52.8	133.7	178.3	-25.3	33.7	0	0	0	112.4	D34 F35 L36	P32-D34 VanDerWaalsContact C-N 3.33Å; P32-D34 WeakPolarHBondContact CB-OD1 3.44Å; P32-D34 PolarHBondContact O-N 2.77Å; P32-F35 HydrophobicContact CB-CB 4.3Å; P32-F35 PolarHBondContact O-N 3.17Å; P32-L36 WeakPolarHBondContact O-CG 3.02Å; P32-L36 PolarHBondContact O-N 3Å; P32-L36 VanDerWaalsContact O-N 3.16Å
33	Y	93.4	Very high	76.6	Confident	23 Å²	23	81 Å²	81	9%	0.09	40%	0.395	C	S	.	.	H	α-helix	trans	-72.3	-28	-172.6	68	-93.9	0	0	0	112.9	T31 L36 Y37 S59 K63 L66 V127 I131 F135	T31-Y33 PolarHBondContact O-N 3.07Å; Y33-L36 PolarHBondContact O-N 2.81Å; Y33-Y37 VanDerWaalsContact O-CB 3.31Å; Y33-Y37 WeakPolarHBondContact O-CB 3.49Å; Y33-Y37 PolarHBondContact O-N 3.02Å; Y33-S59 WeakPolarHBondContact CB-O 3.46Å; Y33-S59 VanDerWaalsContact O-CB 3.32Å; Y33-S59 WeakPolarHBondContact O-CB 3.21Å; Y33-K63 HydrophobicContact CD1-CB 4.35Å; Y33-K63 HydrophobicContact CD2-CB 4.28Å; Y33-K63 HydrophobicContact CG-CB 4.12Å; Y33-L66 HydrophobicContact CD1-CD2 4.16Å; Y33-L66 HydrophobicContact CE1-CD2 3.93Å; Y33-V127 HydrophobicContact CE1-CG1 3.93Å; Y33-V127 HydrophobicContact CE2-CG1 4.24Å; Y33-V127 WeakPolarHBondContact OH-CG1 3.48Å; Y33-V127 WeakPolarHBondContact OH-CG2 3.28Å; Y33-I131 HydrophobicContact CD2-CG2 4.34Å; Y33-I131 HydrophobicContact CE2-CG2 3.57Å; Y33-F135 HydrophobicContact CD2-CD2 4.36Å; Y33-F135 HydrophobicContact CD2-CE1 4.26Å; Y33-F135 AromaticContact CD2-CE2 3.69Å; Y33-F135 HydrophobicContact CD2-CE2 3.69Å; Y33-F135 AromaticContact CD2-CZ 3.62Å; Y33-F135 HydrophobicContact CD2-CZ 3.62Å; Y33-F135 HydrophobicContact CE2-CD2 4.16Å; Y33-F135 AromaticContact CE2-CE2 3.92Å; Y33-F135 HydrophobicContact CE2-CE2 3.92Å; Y33-F135 HydrophobicContact CE2-CZ 4.23Å
34	D	92.4	Very high	79.6	Confident	46 Å²	46	75.1 Å²	75.1	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-46.3	170.9	61.9	-34.7	0	0	0	111.1	P32 L36 Y37 Y38 V127 I131	P32-D34 VanDerWaalsContact C-N 3.33Å; P32-D34 WeakPolarHBondContact CB-OD1 3.44Å; P32-D34 PolarHBondContact O-N 2.77Å; D34-L36 PolarHBondContact O-N 3.41Å; D34-Y37 PolarHBondContact O-N 3.39Å; D34-Y38 WeakPolarHBondContact O-CD2 3.45Å; D34-Y38 PolarHBondContact O-N 3.46Å; D34-V127 HydrophobicContact CB-CG1 4.1Å; D34-I131 HydrophobicContact CB-CD1 4.42Å; D34-I131 HydrophobicContact CB-CG1 4.06Å; D34-I131 HydrophobicContact CB-CG2 4.07Å
35	F	93.1	Very high	82.3	Confident	121 Å²	121	78.6 Å²	78.6	53%	0.531	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-43.1	175.4	176.4	-93.9	0	0	0	111.9	T31 P32 S39	T31-F35 HydrophobicContact CG2-CD1 3.77Å; T31-F35 HydrophobicContact CG2-CE1 4.4Å; P32-F35 HydrophobicContact CB-CB 4.3Å; P32-F35 PolarHBondContact O-N 3.17Å; F35-S39 VanDerWaalsContact O-CB 3.26Å; F35-S39 WeakPolarHBondContact O-CB 3.4Å; F35-S39 PolarHBondContact O-N 3.24Å; F35-S39 PolarHBondContact O-OG 3.06Å
36	L	95.4	Very high	85.1	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-43.2	176.1	-69.3	171.6	0	0	0	111.3	T31 P32 Y33 D34 S39 G40 L55 K58	T31-L36 HydrophobicContact CG2-CD1 4.5Å; T31-L36 HydrophobicContact CG2-CD2 4.02Å; T31-L36 HydrophobicContact CG2-CG 3.99Å; P32-L36 WeakPolarHBondContact O-CG 3.02Å; P32-L36 PolarHBondContact O-N 3Å; P32-L36 VanDerWaalsContact O-N 3.16Å; Y33-L36 PolarHBondContact O-N 2.81Å; D34-L36 PolarHBondContact O-N 3.41Å; L36-S39 PolarHBondContact O-N 3.08Å; L36-G40 PolarHBondContact O-N 3.25Å; L36-L55 HydrophobicContact CD2-CD2 3.89Å; L36-K58 HydrophobicContact CD1-CB 4.21Å; L36-K58 HydrophobicContact CD1-CD 4.15Å; L36-K58 HydrophobicContact CD1-CG 3.8Å; L36-K58 HydrophobicContact CD2-CD 4.08Å
37	Y	95.6	Very high	87.9	Confident	8 Å²	8	68.5 Å²	68.5	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-59.9	-55.3	177.1	176.9	-111.7	0	0	0	111.4	Y33 D34 S39 G40 V41 L56 I131 E134 F135 P140 F143	Y33-Y37 VanDerWaalsContact O-CB 3.31Å; Y33-Y37 WeakPolarHBondContact O-CB 3.49Å; Y33-Y37 PolarHBondContact O-N 3.02Å; D34-Y37 PolarHBondContact O-N 3.39Å; Y37-S39 VanDerWaalsContact C-N 3.27Å; Y37-S39 PolarHBondContact O-N 3.24Å; Y37-G40 WeakPolarHBondContact O-CA 3.38Å; Y37-G40 PolarHBondContact O-N 3.12Å; Y37-V41 HydrophobicContact CD1-CG2 4.49Å; Y37-V41 HydrophobicContact CD2-CG2 4.13Å; Y37-V41 HydrophobicContact CE1-CG2 4.14Å; Y37-V41 HydrophobicContact CE2-CG2 3.69Å; Y37-V41 WeakPolarHBondContact O-CG2 3.24Å; Y37-V41 PolarHBondContact O-N 3.28Å; Y37-L56 HydrophobicContact CD2-CD2 3.73Å; Y37-L56 HydrophobicContact CE2-CD2 3.99Å; Y37-I131 HydrophobicContact CD1-CD1 3.59Å; Y37-I131 HydrophobicContact CE1-CD1 4.05Å; Y37-E134 HydrophobicContact CE1-CB 4.08Å; Y37-E134 HydrophobicContact CE1-CG 4.07Å; Y37-E134 PolarHBondContact OH-OE2 3.44Å; Y37-F135 HydrophobicContact CD1-CE2 4.48Å; Y37-F135 HydrophobicContact CD2-CE2 4.23Å; Y37-F135 HydrophobicContact CD2-CZ 4.4Å; Y37-F135 AromaticContact CG-CE2 3.99Å; Y37-F135 HydrophobicContact CG-CE2 3.99Å; Y37-F135 HydrophobicContact CG-CZ 4.39Å; Y37-P140 HydrophobicContact CD2-CB 4.49Å; Y37-P140 HydrophobicContact CD2-CG 3.99Å; Y37-P140 HydrophobicContact CE2-CB 4.28Å; Y37-P140 HydrophobicContact CE2-CG 3.77Å; Y37-F143 HydrophobicContact CE2-CD2 4.37Å; Y37-F143 HydrophobicContact CE2-CE2 4.43Å; Y37-F143 WeakPolarHBondContact OH-CE2 3.39Å
38	Y	93.5	Very high	90.3	Very high	113 Å²	113	69.8 Å²	69.8	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-59.3	-38.8	178.4	-75.5	-57.6	0	0	0	112.8	D34 R42 I131	D34-Y38 WeakPolarHBondContact O-CD2 3.45Å; D34-Y38 PolarHBondContact O-N 3.46Å; Y38-R42 WeakPolarHBondContact O-CB 3.42Å; Y38-R42 PolarHBondContact O-N 3.49Å; Y38-I131 HydrophobicContact CD2-CD1 4.33Å; Y38-I131 HydrophobicContact CE1-CD1 4.13Å; Y38-I131 HydrophobicContact CE2-CD1 3.61Å; Y38-I131 HydrophobicContact CE2-CG1 3.96Å; Y38-I131 VanDerWaalsContact CZ-CD1 3.48Å; Y38-I131 WeakPolarHBondContact OH-CD1 3.26Å
39	S	96	Very high	91.8	Very high	25 Å²	25	63.4 Å²	63.4	18%	0.175	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-39.2	176.4	-60.6	0	0	0	0	111.6	F35 L36 Y37 R42 A43	F35-S39 VanDerWaalsContact O-CB 3.26Å; F35-S39 WeakPolarHBondContact O-CB 3.4Å; F35-S39 PolarHBondContact O-N 3.24Å; F35-S39 PolarHBondContact O-OG 3.06Å; L36-S39 PolarHBondContact O-N 3.08Å; Y37-S39 VanDerWaalsContact C-N 3.27Å; Y37-S39 PolarHBondContact O-N 3.24Å; S39-R42 PolarHBondContact O-N 3.1Å; S39-A43 WeakPolarHBondContact O-CB 3.41Å; S39-A43 PolarHBondContact O-N 3.26Å
40	G	95.9	Very high	92.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-45.2	175.3	0	0	0	0	0	112.6	L36 Y37 R42 A43 Y44	L36-G40 PolarHBondContact O-N 3.25Å; Y37-G40 WeakPolarHBondContact O-CA 3.38Å; Y37-G40 PolarHBondContact O-N 3.12Å; G40-R42 PolarHBondContact O-N 3.37Å; G40-A43 PolarHBondContact O-N 3.34Å; G40-Y44 WeakPolarHBondContact O-CB 3.42Å; G40-Y44 PolarHBondContact O-N 2.93Å
41	V	90.8	Very high	93.8	Very high	22 Å²	22	63.4 Å²	63.4	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-40.2	174.6	174.9	0	0	0	0	111.2	Y37 Y44 Y45 L56 F143	Y37-V41 HydrophobicContact CD1-CG2 4.49Å; Y37-V41 HydrophobicContact CD2-CG2 4.13Å; Y37-V41 HydrophobicContact CE1-CG2 4.14Å; Y37-V41 HydrophobicContact CE2-CG2 3.69Å; Y37-V41 WeakPolarHBondContact O-CG2 3.24Å; Y37-V41 PolarHBondContact O-N 3.28Å; V41-Y44 WeakPolarHBondContact O-CB 2.95Å; V41-Y44 PolarHBondContact O-N 3.11Å; V41-Y45 HydrophobicContact CG1-CD2 3.79Å; V41-Y45 HydrophobicContact CG1-CE2 3.55Å; V41-Y45 WeakPolarHBondContact O-CD2 3.32Å; V41-Y45 PolarHBondContact O-N 2.98Å; V41-L56 HydrophobicContact CG2-CD2 4.2Å; V41-F143 HydrophobicContact CG1-CE1 4.24Å; V41-F143 HydrophobicContact CG1-CZ 4.12Å; V41-F143 HydrophobicContact CG2-CD2 4.02Å; V41-F143 HydrophobicContact CG2-CE2 3.85Å; V41-F143 HydrophobicContact CG2-CG 4.46Å; V41-F143 HydrophobicContact CG2-CZ 4.14Å
42	R	92.6	Very high	94.4	Very high	188 Å²	188	60.8 Å²	60.8	71%	0.709	29%	0.291	S	S	*	.	H	α-helix	trans	-63	-44	173.9	-173.8	-177.2	-62.2	160.3	3	112	Y38 S39 G40 Y44 Y45 G46	Y38-R42 WeakPolarHBondContact O-CB 3.42Å; Y38-R42 PolarHBondContact O-N 3.49Å; S39-R42 PolarHBondContact O-N 3.1Å; G40-R42 PolarHBondContact O-N 3.37Å; R42-Y44 VanDerWaalsContact C-N 3.28Å; R42-Y44 PolarHBondContact O-N 3.05Å; R42-Y45 PolarHBondContact O-N 3.33Å; R42-G46 PolarHBondContact O-N 2.94Å
43	A	94.1	Very high	94.7	Very high	2 Å²	2	59.9 Å²	59.9	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-36.8	175.8	0	0	0	0	0	111.6	S39 G40 G46 E47 E48 K51 A52 L55	S39-A43 WeakPolarHBondContact O-CB 3.41Å; S39-A43 PolarHBondContact O-N 3.26Å; G40-A43 PolarHBondContact O-N 3.34Å; A43-G46 CarbonylContact O-C 3.46Å; A43-G46 PolarHBondContact O-N 2.82Å; A43-E47 PolarHBondContact O-N 3.38Å; A43-E48 HydrophobicContact CB-CB 4.17Å; A43-E48 PolarHBondContact O-N 3.43Å; A43-K51 HydrophobicContact CB-CB 4.43Å; A43-K51 HydrophobicContact CB-CD 4.15Å; A43-K51 HydrophobicContact CB-CG 4.17Å; A43-A52 HydrophobicContact CB-CB 3.99Å; A43-L55 HydrophobicContact CB-CD1 4.43Å
44	Y	93.7	Very high	95	Very high	41 Å²	41	64.9 Å²	64.9	16%	0.161	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-51.5	174.5	175.7	-92.1	0	0	0	111.9	G40 V41 R42 G46 E47 W49 F143 V146 T147	G40-Y44 WeakPolarHBondContact O-CB 3.42Å; G40-Y44 PolarHBondContact O-N 2.93Å; V41-Y44 WeakPolarHBondContact O-CB 2.95Å; V41-Y44 PolarHBondContact O-N 3.11Å; R42-Y44 VanDerWaalsContact C-N 3.28Å; R42-Y44 PolarHBondContact O-N 3.05Å; Y44-G46 PolarHBondContact O-N 3.11Å; Y44-E47 PolarHBondContact O-N 3.48Å; Y44-W49 HydrophobicContact CD2-CE3 4.32Å; Y44-W49 AromaticContact CD2-CZ3 3.81Å; Y44-W49 HydrophobicContact CD2-CZ3 3.81Å; Y44-W49 HydrophobicContact CE2-CE3 4.46Å; Y44-W49 AromaticContact CE2-CZ3 3.69Å; Y44-W49 HydrophobicContact CE2-CZ3 3.69Å; Y44-F143 AromaticContact CD1-CD1 3.61Å; Y44-F143 HydrophobicContact CD1-CD1 3.61Å; Y44-F143 HydrophobicContact CD1-CE1 4.04Å; Y44-F143 HydrophobicContact CD2-CB 4.3Å; Y44-F143 HydrophobicContact CD2-CD1 4.23Å; Y44-F143 AromaticContact CE1-CD1 3.74Å; Y44-F143 HydrophobicContact CE1-CD1 3.74Å; Y44-F143 HydrophobicContact CE1-CE1 4.14Å; Y44-F143 HydrophobicContact CE2-CD1 4.34Å; Y44-F143 AromaticContact CG-CD1 3.87Å; Y44-F143 HydrophobicContact CG-CD1 3.87Å; Y44-V146 HydrophobicContact CE2-CB 3.83Å; Y44-V146 HydrophobicContact CE2-CG1 3.96Å; Y44-V146 WeakPolarHBondContact OH-CB 3.22Å; Y44-V146 WeakPolarHBondContact OH-CG1 3.4Å; Y44-V146 WeakPolarHBondContact OH-CG2 3.1Å; Y44-T147 WeakPolarHBondContact CD2-OG1 3.4Å
45	Y	89.3	Confident	95.2	Very high	168 Å²	168	64 Å²	64	66%	0.659	31%	0.305	S	S	*	.	H	α-helix	trans	-69	-22	176.9	-73.7	-65.9	0	0	0	113.5	V41 R42 E47 F143	V41-Y45 HydrophobicContact CG1-CD2 3.79Å; V41-Y45 HydrophobicContact CG1-CE2 3.55Å; V41-Y45 WeakPolarHBondContact O-CD2 3.32Å; V41-Y45 PolarHBondContact O-N 2.98Å; R42-Y45 PolarHBondContact O-N 3.33Å; Y45-E47 VanDerWaalsContact C-N 3.25Å; Y45-F143 HydrophobicContact CE2-CE1 4.29Å
46	G	91.9	Very high	95.5	Very high	49 Å²	49	58.3 Å²	58.3	51%	0.505	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.7	169.7	0	0	0	0	0	114.5	R42 A43 Y44 E48	R42-G46 PolarHBondContact O-N 2.94Å; A43-G46 CarbonylContact O-C 3.46Å; A43-G46 PolarHBondContact O-N 2.82Å; Y44-G46 PolarHBondContact O-N 3.11Å; G46-E48 PolarHBondContact O-N 2.91Å; G46-E48 VanDerWaalsContact O-N 3.15Å
47	E	94.9	Very high	95.6	Very high	138 Å²	138	58.9 Å²	58.9	65%	0.645	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	19.9	-175.8	-54.2	-173.4	-172	0	0	114.5	A43 Y44 Y45 W49	A43-E47 PolarHBondContact O-N 3.38Å; Y44-E47 PolarHBondContact O-N 3.48Å; Y45-E47 VanDerWaalsContact C-N 3.25Å; E47-W49 HydrophobicContact CB-CH2 4.42Å; E47-W49 HydrophobicContact CB-CZ2 3.76Å; E47-W49 HydrophobicContact CG-CH2 4.21Å; E47-W49 HydrophobicContact CG-CZ2 3.8Å; E47-W49 PolarHBondContact O-N 2.86Å; E47-W49 PolarHBondContact O-NE1 3.12Å
48	E	97.4	Very high	95.7	Very high	92 Å²	92	62.9 Å²	62.9	43%	0.43	30%	0.3	S	S	.	.			trans	-80.3	63.4	174.5	-64.2	-176.2	-95.3	0	0	110.2	A43 G46 A50 K51 A52	A43-E48 HydrophobicContact CB-CB 4.17Å; A43-E48 PolarHBondContact O-N 3.43Å; G46-E48 PolarHBondContact O-N 2.91Å; G46-E48 VanDerWaalsContact O-N 3.15Å; E48-A50 PolarHBondContact O-N 3.05Å; E48-K51 HydrophobicContact CB-CB 4.17Å; E48-K51 HydrophobicContact CB-CD 4.28Å; E48-K51 VanDerWaalsContact CD-NZ 3.28Å; E48-K51 PolarHBondContact O-N 3.32Å; E48-K51 IonicContact OE1-NZ 3.73Å; E48-K51 PolarHBondContact OE1-NZ 2.88Å; E48-K51 WeakPolarHBondContact OE2-CD 3.36Å; E48-K51 IonicContact OE2-NZ 3.34Å; E48-K51 PolarHBondContact OE2-NZ 3.39Å; E48-A52 PolarHBondContact O-N 2.68Å
49	W	97.2	Very high	95.8	Very high	52 Å²	52	57.5 Å²	57.5	20%	0.197	28%	0.279	C	S	.	.	H	α-helix	trans	-52.7	-44.9	-166.7	-50.7	112.8	0	0	0	114.5	Y44 E47 K51 A52 A53 V146 T147 K150 L151	Y44-W49 HydrophobicContact CD2-CE3 4.32Å; Y44-W49 AromaticContact CD2-CZ3 3.81Å; Y44-W49 HydrophobicContact CD2-CZ3 3.81Å; Y44-W49 HydrophobicContact CE2-CE3 4.46Å; Y44-W49 AromaticContact CE2-CZ3 3.69Å; Y44-W49 HydrophobicContact CE2-CZ3 3.69Å; E47-W49 HydrophobicContact CB-CH2 4.42Å; E47-W49 HydrophobicContact CB-CZ2 3.76Å; E47-W49 HydrophobicContact CG-CH2 4.21Å; E47-W49 HydrophobicContact CG-CZ2 3.8Å; E47-W49 PolarHBondContact O-N 2.86Å; E47-W49 PolarHBondContact O-NE1 3.12Å; W49-K51 VanDerWaalsContact C-N 3.34Å; W49-K51 PolarHBondContact O-N 3.08Å; W49-A52 PolarHBondContact O-N 3.4Å; W49-A53 WeakPolarHBondContact O-CB 3.38Å; W49-A53 PolarHBondContact O-N 3.04Å; W49-V146 HydrophobicContact CZ3-CG1 4.38Å; W49-T147 HydrophobicContact CB-CG2 4.12Å; W49-T147 HydrophobicContact CE3-CG2 4.39Å; W49-T147 WeakPolarHBondContact O-CG2 3.48Å; W49-K150 HydrophobicContact CB-CB 4.35Å; W49-K150 HydrophobicContact CD2-CB 3.58Å; W49-K150 HydrophobicContact CD2-CG 3.75Å; W49-K150 HydrophobicContact CE3-CB 4.05Å; W49-K150 HydrophobicContact CE3-CG 3.94Å; W49-K150 HydrophobicContact CG-CB 3.69Å; W49-K150 HydrophobicContact CG-CG 4.39Å; W49-K150 HydrophobicContact CH2-CD 4.45Å; W49-K150 HydrophobicContact CH2-CG 4.05Å; W49-K150 HydrophobicContact CZ2-CD 3.95Å; W49-K150 HydrophobicContact CZ2-CG 3.86Å; W49-K150 HydrophobicContact CZ3-CG 4.08Å; W49-L151 HydrophobicContact CB-CD1 4.45Å; W49-L151 HydrophobicContact CB-CD2 3.84Å; W49-L151 HydrophobicContact CB-CG 3.92Å
50	A	98.1	Very high	95.9	Very high	65 Å²	65	56.4 Å²	56.4	54%	0.537	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-42.6	-179.1	0	0	0	0	0	112.2	E48 E54 L151	E48-A50 PolarHBondContact O-N 3.05Å; A50-E54 PolarHBondContact O-N 3.36Å; A50-E54 VanDerWaalsContact O-N 3.07Å; A50-L151 HydrophobicContact CB-CD2 4.33Å
51	K	97.9	Very high	95.9	Very high	91 Å²	91	61.3 Å²	61.3	40%	0.396	29%	0.294	S	S	.	.	H	α-helix	trans	-73.4	-38.6	179.4	-178.3	-173.2	179.1	-170.9	0	111.7	A43 E48 W49 A53 E54 L55	A43-K51 HydrophobicContact CB-CB 4.43Å; A43-K51 HydrophobicContact CB-CD 4.15Å; A43-K51 HydrophobicContact CB-CG 4.17Å; E48-K51 HydrophobicContact CB-CB 4.17Å; E48-K51 HydrophobicContact CB-CD 4.28Å; E48-K51 VanDerWaalsContact CD-NZ 3.28Å; E48-K51 PolarHBondContact O-N 3.32Å; E48-K51 IonicContact OE1-NZ 3.73Å; E48-K51 PolarHBondContact OE1-NZ 2.88Å; E48-K51 WeakPolarHBondContact OE2-CD 3.36Å; E48-K51 IonicContact OE2-NZ 3.34Å; E48-K51 PolarHBondContact OE2-NZ 3.39Å; W49-K51 VanDerWaalsContact C-N 3.34Å; W49-K51 PolarHBondContact O-N 3.08Å; K51-A53 VanDerWaalsContact C-N 3.35Å; K51-E54 PolarHBondContact O-N 3.11Å; K51-L55 HydrophobicContact CG-CD1 3.81Å; K51-L55 HydrophobicContact CG-CG 4.41Å; K51-L55 WeakPolarHBondContact O-CB 3.2Å; K51-L55 VanDerWaalsContact O-CG 3.28Å; K51-L55 WeakPolarHBondContact O-CG 3.49Å; K51-L55 PolarHBondContact O-N 3.32Å
52	A	97.9	Very high	96.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.3	-48.2	172.9	0	0	0	0	0	110.8	A43 E48 W49 E54 L55 L56 T147	A43-A52 HydrophobicContact CB-CB 3.99Å; E48-A52 PolarHBondContact O-N 2.68Å; W49-A52 PolarHBondContact O-N 3.4Å; A52-E54 PolarHBondContact O-N 2.93Å; A52-L55 PolarHBondContact O-N 3.42Å; A52-L56 VanDerWaalsContact O-CB 3.31Å; A52-L56 WeakPolarHBondContact O-CB 3.43Å; A52-L56 WeakPolarHBondContact O-CD1 3.4Å; A52-L56 VanDerWaalsContact O-CG 3.25Å; A52-L56 WeakPolarHBondContact O-CG 3.26Å; A52-L56 PolarHBondContact O-N 2.93Å; A52-T147 HydrophobicContact CB-CG2 4.05Å
53	A	98.2	Very high	96.2	Very high	7 Å²	7	54 Å²	54	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-46.4	177.5	0	0	0	0	0	111.6	W49 K51 E57 L144 T147 Y148 L151	W49-A53 WeakPolarHBondContact O-CB 3.38Å; W49-A53 PolarHBondContact O-N 3.04Å; K51-A53 VanDerWaalsContact C-N 3.35Å; A53-E57 VanDerWaalsContact O-CB 3.29Å; A53-E57 WeakPolarHBondContact O-CB 3.49Å; A53-E57 VanDerWaalsContact O-CG 3.23Å; A53-E57 WeakPolarHBondContact O-CG 3.37Å; A53-E57 PolarHBondContact O-N 2.6Å; A53-L144 HydrophobicContact CB-CD2 4.48Å; A53-T147 HydrophobicContact CB-CG2 3.66Å; A53-Y148 HydrophobicContact CB-CE1 4.16Å; A53-L151 HydrophobicContact CB-CD1 3.98Å
54	E	98.1	Very high	96.2	Very high	128 Å²	128	57.9 Å²	57.9	60%	0.598	29%	0.285	S	S	*	.	H	α-helix	trans	-59.2	-49.7	178.5	-174.7	-173.2	162	0	0	111.9	A50 K51 A52 K58	A50-E54 PolarHBondContact O-N 3.36Å; A50-E54 VanDerWaalsContact O-N 3.07Å; K51-E54 PolarHBondContact O-N 3.11Å; A52-E54 PolarHBondContact O-N 2.93Å; E54-K58 WeakPolarHBondContact O-CB 3.47Å; E54-K58 PolarHBondContact O-N 3.46Å
55	L	98.4	Very high	96.2	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-69.5	-40.3	-175.6	-70.5	170.3	0	0	0	112.7	L36 A43 K51 A52 K58 S59	L36-L55 HydrophobicContact CD2-CD2 3.89Å; A43-L55 HydrophobicContact CB-CD1 4.43Å; K51-L55 HydrophobicContact CG-CD1 3.81Å; K51-L55 HydrophobicContact CG-CG 4.41Å; K51-L55 WeakPolarHBondContact O-CB 3.2Å; K51-L55 VanDerWaalsContact O-CG 3.28Å; K51-L55 WeakPolarHBondContact O-CG 3.49Å; K51-L55 PolarHBondContact O-N 3.32Å; A52-L55 PolarHBondContact O-N 3.42Å; L55-K58 PolarHBondContact O-N 2.78Å; L55-S59 PolarHBondContact O-N 2.98Å
56	L	98.1	Very high	96.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.8	-41	177.4	-69.8	167.9	0	0	0	112	Y37 V41 A52 K58 S59 I60 F143 L144	Y37-L56 HydrophobicContact CD2-CD2 3.73Å; Y37-L56 HydrophobicContact CE2-CD2 3.99Å; V41-L56 HydrophobicContact CG2-CD2 4.2Å; A52-L56 VanDerWaalsContact O-CB 3.31Å; A52-L56 WeakPolarHBondContact O-CB 3.43Å; A52-L56 WeakPolarHBondContact O-CD1 3.4Å; A52-L56 VanDerWaalsContact O-CG 3.25Å; A52-L56 WeakPolarHBondContact O-CG 3.26Å; A52-L56 PolarHBondContact O-N 2.93Å; L56-K58 VanDerWaalsContact C-N 3.31Å; L56-K58 PolarHBondContact O-N 3.08Å; L56-S59 PolarHBondContact O-N 3.17Å; L56-S59 PolarHBondContact O-OG 3.32Å; L56-I60 WeakPolarHBondContact O-CG1 3.33Å; L56-I60 PolarHBondContact O-N 3.49Å; L56-F143 HydrophobicContact CD1-CB 3.52Å; L56-L144 HydrophobicContact CB-CD1 4.33Å; L56-L144 HydrophobicContact CB-CD2 3.69Å; L56-L144 HydrophobicContact CB-CG 3.86Å; L56-L144 HydrophobicContact CD1-CD2 4.2Å; L56-L144 HydrophobicContact CD1-CG 4.2Å
57	E	98	Very high	96.4	Very high	20 Å²	20	49.9 Å²	49.9	9%	0.093	25%	0.245	C	C	.	.	H	α-helix	trans	-63.3	-41.9	172.3	-75	-69.8	172	0	0	111.2	A53 S59 I60 Q61 L144 Y148 R195	A53-E57 VanDerWaalsContact O-CB 3.29Å; A53-E57 WeakPolarHBondContact O-CB 3.49Å; A53-E57 VanDerWaalsContact O-CG 3.23Å; A53-E57 WeakPolarHBondContact O-CG 3.37Å; A53-E57 PolarHBondContact O-N 2.6Å; E57-S59 VanDerWaalsContact C-N 3.31Å; E57-S59 PolarHBondContact O-N 3.1Å; E57-I60 PolarHBondContact O-N 2.96Å; E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 VanDerWaalsContact O-CG 3.26Å; E57-Q61 WeakPolarHBondContact O-CG 3.36Å; E57-Q61 PolarHBondContact O-N 3.36Å; E57-L144 HydrophobicContact CG-CD1 4.4Å; E57-L144 HydrophobicContact CG-CD2 4Å; E57-Y148 WeakPolarHBondContact CG-OH 3.33Å; E57-Y148 WeakPolarHBondContact OE1-CE2 3.29Å; E57-Y148 PolarHBondContact OE1-OH 3.3Å; E57-R195 IonicContact OE1-CZ 3.62Å; E57-R195 IonicContact OE1-NH1 2.73Å; E57-R195 PolarHBondContact OE1-NH1 3.41Å; E57-R195 IonicContact OE1-NH2 3.38Å; E57-R195 PolarHBondContact OE1-NH2 3.43Å; E57-R195 IonicContact OE2-CZ 3.52Å; E57-R195 IonicContact OE2-NH1 3.76Å; E57-R195 IonicContact OE2-NH2 3.92Å; E57-R195 PolarHBondContact OE2-NH2 3.45Å
58	K	97.2	Very high	96.4	Very high	91 Å²	91	51.3 Å²	51.3	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-34.2	178.5	-163.1	176.4	-177.1	173.5	0	111.8	L36 E54 L55 L56 T62	L36-K58 HydrophobicContact CD1-CB 4.21Å; L36-K58 HydrophobicContact CD1-CD 4.15Å; L36-K58 HydrophobicContact CD1-CG 3.8Å; L36-K58 HydrophobicContact CD2-CD 4.08Å; E54-K58 WeakPolarHBondContact O-CB 3.47Å; E54-K58 PolarHBondContact O-N 3.46Å; L55-K58 PolarHBondContact O-N 2.78Å; L56-K58 VanDerWaalsContact C-N 3.31Å; L56-K58 PolarHBondContact O-N 3.08Å; K58-T62 WeakPolarHBondContact O-CB 3.41Å; K58-T62 PolarHBondContact O-N 2.93Å; K58-T62 PolarHBondContact O-OG1 3.01Å
59	S	97	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-45.5	176.5	71.3	0	0	0	0	111.5	Y33 L55 L56 E57 T62 K63	Y33-S59 WeakPolarHBondContact CB-O 3.46Å; Y33-S59 VanDerWaalsContact O-CB 3.32Å; Y33-S59 WeakPolarHBondContact O-CB 3.21Å; L55-S59 PolarHBondContact O-N 2.98Å; L56-S59 PolarHBondContact O-N 3.17Å; L56-S59 PolarHBondContact O-OG 3.32Å; E57-S59 VanDerWaalsContact C-N 3.31Å; E57-S59 PolarHBondContact O-N 3.1Å; S59-T62 PolarHBondContact O-N 3.49Å; S59-K63 PolarHBondContact O-N 2.96Å
60	I	97.5	Very high	96.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-53.2	175.6	-62.4	162.6	0	0	0	110.5	L56 E57 T62 K63 E64 F135 P140 Y141 L144	L56-I60 WeakPolarHBondContact O-CG1 3.33Å; L56-I60 PolarHBondContact O-N 3.49Å; E57-I60 PolarHBondContact O-N 2.96Å; I60-T62 PolarHBondContact O-N 2.92Å; I60-K63 PolarHBondContact O-N 3.13Å; I60-K63 VanDerWaalsContact O-N 3.14Å; I60-E64 PolarHBondContact O-N 2.95Å; I60-F135 HydrophobicContact CG1-CE1 4.3Å; I60-P140 HydrophobicContact CD1-CB 3.89Å; I60-P140 HydrophobicContact CG1-CB 3.99Å; I60-Y141 HydrophobicContact CD1-CE1 3.98Å; I60-Y141 HydrophobicContact CD1-CE2 4.08Å; I60-L144 HydrophobicContact CD1-CD1 3.59Å
61	Q	96	Very high	96	Very high	103 Å²	103	45.9 Å²	45.9	48%	0.481	21%	0.209	S	C	.	.	H	α-helix	trans	-59.5	-36	179.1	-70	168.5	19.2	0	0	112.3	E57 A65	E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 VanDerWaalsContact O-CG 3.26Å; E57-Q61 WeakPolarHBondContact O-CG 3.36Å; E57-Q61 PolarHBondContact O-N 3.36Å; Q61-A65 VanDerWaalsContact O-CB 3.25Å; Q61-A65 WeakPolarHBondContact O-CB 3.05Å; Q61-A65 PolarHBondContact O-N 3.36Å
62	T	94.4	Very high	95.9	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.08	21%	0.213	C	C	.	.	H	α-helix	trans	-72.8	-37.2	178.9	-56.5	0	0	0	0	111.9	F30 T31 K58 S59 I60 A65 L66	F30-T62 HydrophobicContact CB-CG2 3.87Å; F30-T62 HydrophobicContact CG-CG2 4.35Å; T31-T62 VanDerWaalsContact O-CG2 3.26Å; T31-T62 WeakPolarHBondContact O-CG2 3.47Å; K58-T62 WeakPolarHBondContact O-CB 3.41Å; K58-T62 PolarHBondContact O-N 2.93Å; K58-T62 PolarHBondContact O-OG1 3.01Å; S59-T62 PolarHBondContact O-N 3.49Å; I60-T62 PolarHBondContact O-N 2.92Å; T62-A65 PolarHBondContact O-N 3.45Å; T62-L66 VanDerWaalsContact O-CB 3.32Å; T62-L66 WeakPolarHBondContact O-CB 3.39Å; T62-L66 PolarHBondContact O-N 3.46Å
63	K	94.2	Very high	95.9	Very high	43 Å²	43	46.6 Å²	46.6	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-49.7	171.5	-177	-177	175	-173.5	0	110.3	Y33 S59 I60 A65 L66 L67 F135	Y33-K63 HydrophobicContact CD1-CB 4.35Å; Y33-K63 HydrophobicContact CD2-CB 4.28Å; Y33-K63 HydrophobicContact CG-CB 4.12Å; S59-K63 PolarHBondContact O-N 2.96Å; I60-K63 PolarHBondContact O-N 3.13Å; I60-K63 VanDerWaalsContact O-N 3.14Å; K63-A65 PolarHBondContact O-N 3.2Å; K63-L66 WeakPolarHBondContact O-CB 3.07Å; K63-L66 PolarHBondContact O-N 2.86Å; K63-L67 WeakPolarHBondContact O-CG 3.43Å; K63-L67 PolarHBondContact O-N 3.42Å; K63-F135 HydrophobicContact CB-CE1 4.33Å; K63-F135 HydrophobicContact CD-CB 4.1Å; K63-F135 HydrophobicContact CD-CD1 3.45Å; K63-F135 VanDerWaalsContact CD-CD1 3.45Å; K63-F135 HydrophobicContact CD-CE1 4.04Å; K63-F135 HydrophobicContact CD-CG 3.91Å; K63-F135 VanDerWaalsContact NZ-CB 3.3Å
64	E	94.1	Very high	95.7	Very high	85 Å²	85	47.1 Å²	47.1	40%	0.397	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-41.1	177.6	-68.8	174.6	-175.4	0	0	113	I60 L66 L67 R68	I60-E64 PolarHBondContact O-N 2.95Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L67 PolarHBondContact O-N 2.92Å; E64-R68 WeakPolarHBondContact O-CG 3.2Å; E64-R68 PolarHBondContact O-N 3.04Å; E64-R68 PolarHBondContact O-NE 3.36Å
65	A	93.8	Very high	95.7	Very high	12 Å²	12	44.4 Å²	44.4	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-36.9	176.5	0	0	0	0	0	111.8	F30 Q61 T62 K63 T69	F30-A65 HydrophobicContact CE1-CB 4.22Å; F30-A65 HydrophobicContact CE2-CB 4.2Å; F30-A65 HydrophobicContact CZ-CB 3.9Å; Q61-A65 VanDerWaalsContact O-CB 3.25Å; Q61-A65 WeakPolarHBondContact O-CB 3.05Å; Q61-A65 PolarHBondContact O-N 3.36Å; T62-A65 PolarHBondContact O-N 3.45Å; K63-A65 PolarHBondContact O-N 3.2Å; A65-T69 VanDerWaalsContact O-CB 3.32Å; A65-T69 WeakPolarHBondContact O-CB 3.17Å; A65-T69 PolarHBondContact O-N 3.15Å; A65-T69 PolarHBondContact O-OG1 3.39Å
66	L	92.8	Very high	95.5	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.063	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-48.2	175.8	179.5	60.5	0	0	0	111.3	Y33 T62 K63 E64 R68 T69 R70 V119	Y33-L66 HydrophobicContact CD1-CD2 4.16Å; Y33-L66 HydrophobicContact CE1-CD2 3.93Å; T62-L66 VanDerWaalsContact O-CB 3.32Å; T62-L66 WeakPolarHBondContact O-CB 3.39Å; T62-L66 PolarHBondContact O-N 3.46Å; K63-L66 WeakPolarHBondContact O-CB 3.07Å; K63-L66 PolarHBondContact O-N 2.86Å; E64-L66 VanDerWaalsContact C-N 3.32Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 2.91Å; L66-T69 PolarHBondContact O-N 3.23Å; L66-R70 HydrophobicContact CD1-CG 4.39Å; L66-R70 WeakPolarHBondContact O-CG 3.43Å; L66-R70 PolarHBondContact O-N 2.99Å; L66-V119 HydrophobicContact CD1-CG1 4.22Å; L66-V119 HydrophobicContact CD1-CG2 3.81Å
67	L	93.3	Very high	95.4	Very high	65 Å²	65	47.9 Å²	47.9	34%	0.34	22%	0.224	S	C	.	.	H	α-helix	trans	-57.9	-46.3	177	-66.1	174.8	0	0	0	111.6	K63 E64 T69 R70 R71 Q240	K63-L67 WeakPolarHBondContact O-CG 3.43Å; K63-L67 PolarHBondContact O-N 3.42Å; E64-L67 PolarHBondContact O-N 2.92Å; L67-T69 PolarHBondContact O-N 3.32Å; L67-R70 PolarHBondContact O-N 3.19Å; L67-R71 PolarHBondContact O-N 2.99Å; L67-Q240 HydrophobicContact CD2-CG 3.93Å; L67-Q240 PolarHBondContact O-NE2 3.43Å
68	R	94.5	Very high	95.1	Very high	169 Å²	169	50.2 Å²	50.2	64%	0.638	24%	0.239	S	C	*	.	H	α-helix	trans	-62.9	-41.2	175.6	-74.6	-174.2	-70.1	161.4	-6.6	113	E64 L66 R70 R71 Q72	E64-R68 WeakPolarHBondContact O-CG 3.2Å; E64-R68 PolarHBondContact O-N 3.04Å; E64-R68 PolarHBondContact O-NE 3.36Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 2.91Å; R68-R70 VanDerWaalsContact C-N 3.33Å; R68-R71 PolarHBondContact O-N 3.12Å; R68-Q72 WeakPolarHBondContact O-CB 3.35Å; R68-Q72 PolarHBondContact O-N 2.62Å
69	T	94.6	Very high	94.8	Very high	22 Å²	22	49.2 Å²	49.2	14%	0.135	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-42	176.9	-60.2	0	0	0	0	110.7	A65 L66 L67 Q72 C73 V119	A65-T69 VanDerWaalsContact O-CB 3.32Å; A65-T69 WeakPolarHBondContact O-CB 3.17Å; A65-T69 PolarHBondContact O-N 3.15Å; A65-T69 PolarHBondContact O-OG1 3.39Å; L66-T69 PolarHBondContact O-N 3.23Å; L67-T69 PolarHBondContact O-N 3.32Å; T69-Q72 PolarHBondContact O-N 3.3Å; T69-C73 WeakPolarHBondContact O-CB 3.32Å; T69-C73 PolarHBondContact O-N 3.23Å; T69-C73 PolarHBondContact O-SG 3.08Å; T69-C73 VanDerWaalsContact O-SG 3.38Å; T69-V119 HydrophobicContact CG2-CG2 4.27Å
70	R	94.6	Very high	94.4	Very high	27 Å²	27	50.7 Å²	50.7	10%	0.102	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-44	176	-72.9	179.3	176.2	159.8	3.3	111.5	L66 L67 R68 C73 H74 V243 S244	L66-R70 HydrophobicContact CD1-CG 4.39Å; L66-R70 WeakPolarHBondContact O-CG 3.43Å; L66-R70 PolarHBondContact O-N 2.99Å; L67-R70 PolarHBondContact O-N 3.19Å; R68-R70 VanDerWaalsContact C-N 3.33Å; R70-C73 PolarHBondContact O-N 3.11Å; R70-H74 WeakPolarHBondContact O-CB 3.23Å; R70-H74 PolarHBondContact O-N 3.35Å; R70-V243 HydrophobicContact CB-CB 4.05Å; R70-V243 HydrophobicContact CB-CG1 3.7Å; R70-V243 HydrophobicContact CG-CB 4.28Å; R70-V243 HydrophobicContact CG-CG1 3.69Å; R70-S244 PolarHBondContact NH1-OG 3.18Å
71	R	96	Very high	93.7	Very high	46 Å²	46	50.9 Å²	50.9	17%	0.174	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-49.1	175.4	177.6	58	-169.3	-143.9	24.1	112.4	L67 R68 C73 H74 D75 D235 E236	L67-R71 PolarHBondContact O-N 2.99Å; R68-R71 PolarHBondContact O-N 3.12Å; R71-C73 VanDerWaalsContact C-N 3.32Å; R71-C73 PolarHBondContact O-N 3.2Å; R71-H74 WeakPolarHBondContact O-CB 3.32Å; R71-H74 PolarHBondContact O-N 2.96Å; R71-D75 IonicContact CZ-OD1 3.81Å; R71-D75 IonicContact CZ-OD2 2.78Å; R71-D75 IonicContact NE-OD1 3.61Å; R71-D75 PolarHBondContact NE-OD1 2.87Å; R71-D75 IonicContact NE-OD2 3.72Å; R71-D75 PolarHBondContact NE-OD2 2.91Å; R71-D75 IonicContact NH2-OD1 2.99Å; R71-D75 PolarHBondContact NH2-OD1 3.44Å; R71-D75 IonicContact NH2-OD2 2.95Å; R71-D75 PolarHBondContact O-N 3.48Å; R71-D235 IonicContact CZ-OD2 3.95Å; R71-D235 IonicContact NH1-OD2 3.63Å; R71-D235 PolarHBondContact NH1-OD2 2.7Å; R71-D235 IonicContact NH2-OD2 3.79Å; R71-D235 PolarHBondContact NH2-OD2 2.98Å; R71-E236 WeakPolarHBondContact CD-OE1 3.46Å; R71-E236 WeakPolarHBondContact CG-OE1 3.43Å; R71-E236 IonicContact CZ-OE1 3.7Å; R71-E236 VanDerWaalsContact CZ-OE1 3.27Å; R71-E236 IonicContact NE-OE1 3.02Å; R71-E236 PolarHBondContact NE-OE1 2.84Å; R71-E236 IonicContact NH1-OE1 3.81Å; R71-E236 PolarHBondContact NH1-OE1 2.96Å
72	Q	96.3	Very high	93.1	Very high	103 Å²	103	48.5 Å²	48.5	48%	0.481	25%	0.253	S	S	.	.	H	α-helix	trans	-58.6	-45.4	177.3	-177.4	61	47.4	0	0	111.6	R68 T69 H74 D75 D76	R68-Q72 WeakPolarHBondContact O-CB 3.35Å; R68-Q72 PolarHBondContact O-N 2.62Å; T69-Q72 PolarHBondContact O-N 3.3Å; Q72-H74 VanDerWaalsContact C-N 3.34Å; Q72-H74 PolarHBondContact O-N 3.22Å; Q72-D75 PolarHBondContact O-N 3.13Å; Q72-D76 VanDerWaalsContact NE2-CG 3.27Å; Q72-D76 PolarHBondContact NE2-OD1 3.18Å; Q72-D76 PolarHBondContact NE2-OD2 3.24Å; Q72-D76 VanDerWaalsContact NE2-OD2 3.08Å; Q72-D76 WeakPolarHBondContact O-CB 3.4Å; Q72-D76 VanDerWaalsContact O-CG 3.3Å; Q72-D76 PolarHBondContact O-N 3.47Å
73	C	95.9	Very high	92.4	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-34.1	178.6	-75.4	0	0	0	0	113.3	T69 R70 R71 C77 L111 C114 I115	T69-C73 WeakPolarHBondContact O-CB 3.32Å; T69-C73 PolarHBondContact O-N 3.23Å; T69-C73 PolarHBondContact O-SG 3.08Å; T69-C73 VanDerWaalsContact O-SG 3.38Å; R70-C73 PolarHBondContact O-N 3.11Å; R71-C73 VanDerWaalsContact C-N 3.32Å; R71-C73 PolarHBondContact O-N 3.2Å; C73-C77 WeakPolarHBondContact O-CB 3.27Å; C73-C77 PolarHBondContact O-N 2.96Å; C73-C77 VanDerWaalsContact O-N 3.16Å; C73-C77 PolarHBondContact O-SG 3.4Å; C73-L111 HydrophobicContact CB-CD2 4.48Å; C73-C114 WeakPolarHBondContact CA-SG 3.33Å; C73-C114 HydrophobicContact CB-CB 3.69Å; C73-C114 WeakPolarHBondContact CB-SG 3.34Å; C73-C114 WeakPolarHBondContact SG-CB 3.25Å; C73-C114 CovalentContact SG-SG 2.04Å; C73-C114 PolarHBondContact SG-SG 2.87Å; C73-I115 HydrophobicContact CB-CG1 4.17Å
74	H	96.1	Very high	91.5	Very high	18 Å²	18	54 Å²	54	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-57.4	169.9	172.8	-91.2	0	0	0	110	R70 R71 Q72 D76 C77 V78 V239 E242 V243	R70-H74 WeakPolarHBondContact O-CB 3.23Å; R70-H74 PolarHBondContact O-N 3.35Å; R71-H74 WeakPolarHBondContact O-CB 3.32Å; R71-H74 PolarHBondContact O-N 2.96Å; Q72-H74 VanDerWaalsContact C-N 3.34Å; Q72-H74 PolarHBondContact O-N 3.22Å; H74-D76 VanDerWaalsContact C-N 3.33Å; H74-D76 PolarHBondContact O-N 3.48Å; H74-C77 CarbonylContact O-C 3.41Å; H74-C77 WeakPolarHBondContact O-CA 3.44Å; H74-C77 PolarHBondContact O-N 3.33Å; H74-V78 WeakPolarHBondContact CE1-CG2 3.4Å; H74-V78 WeakPolarHBondContact O-CG2 3.45Å; H74-V78 PolarHBondContact O-N 3.25Å; H74-V239 HydrophobicContact CB-CG1 3.48Å; H74-V239 VanDerWaalsContact CB-CG1 3.48Å; H74-E242 IonicContact CD2-OE2 2.75Å; H74-E242 IonicContact NE2-OE2 2.84Å; H74-V243 HydrophobicContact CB-CG2 3.85Å
75	D	96	Very high	90.3	Very high	70 Å²	70	53.5 Å²	53.5	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-41.3	-174.6	-65.7	-19	0	0	0	112.2	R71 Q72 C77	R71-D75 IonicContact CZ-OD1 3.81Å; R71-D75 IonicContact CZ-OD2 2.78Å; R71-D75 IonicContact NE-OD1 3.61Å; R71-D75 PolarHBondContact NE-OD1 2.87Å; R71-D75 IonicContact NE-OD2 3.72Å; R71-D75 PolarHBondContact NE-OD2 2.91Å; R71-D75 IonicContact NH2-OD1 2.99Å; R71-D75 PolarHBondContact NH2-OD1 3.44Å; R71-D75 IonicContact NH2-OD2 2.95Å; R71-D75 PolarHBondContact O-N 3.48Å; Q72-D75 PolarHBondContact O-N 3.13Å; D75-C77 PolarHBondContact O-N 3.24Å
76	D	95.5	Very high	89.3	Confident	100 Å²	100	58.1 Å²	58.1	54%	0.535	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-25.6	175.4	-70.6	-21.8	0	0	0	112.9	Q72 H74	Q72-D76 VanDerWaalsContact NE2-CG 3.27Å; Q72-D76 PolarHBondContact NE2-OD1 3.18Å; Q72-D76 PolarHBondContact NE2-OD2 3.24Å; Q72-D76 VanDerWaalsContact NE2-OD2 3.08Å; Q72-D76 WeakPolarHBondContact O-CB 3.4Å; Q72-D76 VanDerWaalsContact O-CG 3.3Å; Q72-D76 PolarHBondContact O-N 3.47Å; H74-D76 VanDerWaalsContact C-N 3.33Å; H74-D76 PolarHBondContact O-N 3.48Å
77	C	95.6	Very high	88.1	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.007	32%	0.315	C	S	.	.	H	α-helix	trans	-105.5	-4.9	-176.4	-67.4	0	0	0	0	114.7	C73 H74 D75 A79 S80 C110 L111	C73-C77 WeakPolarHBondContact O-CB 3.27Å; C73-C77 PolarHBondContact O-N 2.96Å; C73-C77 VanDerWaalsContact O-N 3.16Å; C73-C77 PolarHBondContact O-SG 3.4Å; H74-C77 CarbonylContact O-C 3.41Å; H74-C77 WeakPolarHBondContact O-CA 3.44Å; H74-C77 PolarHBondContact O-N 3.33Å; D75-C77 PolarHBondContact O-N 3.24Å; C77-A79 PolarHBondContact O-N 3.09Å; C77-S80 VanDerWaalsContact O-CB 3.26Å; C77-S80 WeakPolarHBondContact O-CB 3.39Å; C77-S80 PolarHBondContact O-N 3.41Å; C77-S80 PolarHBondContact O-OG 3.33Å; C77-C110 WeakPolarHBondContact CA-SG 3.4Å; C77-C110 HydrophobicContact CB-CB 3.8Å; C77-C110 WeakPolarHBondContact CB-SG 3.25Å; C77-C110 WeakPolarHBondContact SG-CB 3.49Å; C77-C110 PolarHBondContact SG-O 2.96Å; C77-C110 CovalentContact SG-SG 2.04Å; C77-C110 PolarHBondContact SG-SG 3.39Å; C77-L111 HydrophobicContact CB-CD2 3.87Å; C77-L111 HydrophobicContact CB-CG 4.12Å; C77-L111 PolarHBondContact SG-N 3.15Å
78	V	91.4	Very high	86.8	Confident	70 Å²	70	62.6 Å²	62.6	42%	0.424	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.7	-179.9	162.5	0	0	0	0	111.6	H74 S80 T82	H74-V78 WeakPolarHBondContact CE1-CG2 3.4Å; H74-V78 WeakPolarHBondContact O-CG2 3.45Å; H74-V78 PolarHBondContact O-N 3.25Å; V78-S80 VanDerWaalsContact C-N 3.32Å; V78-S80 PolarHBondContact O-N 3.28Å; V78-T82 WeakPolarHBondContact O-CG2 3.28Å
79	A	90.3	Very high	85.1	Confident	70 Å²	70	61.5 Å²	61.5	58%	0.579	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.3	-178.1	0	0	0	0	0	114	C77 G81 T82	C77-A79 PolarHBondContact O-N 3.09Å; A79-G81 PolarHBondContact O-N 2.98Å; A79-T82 WeakPolarHBondContact O-CB 3.36Å; A79-T82 WeakPolarHBondContact O-CG2 3.37Å; A79-T82 PolarHBondContact O-N 2.86Å; A79-T82 PolarHBondContact O-OG1 3Å
80	S	90.4	Very high	83.7	Confident	31 Å²	31	64.6 Å²	64.6	22%	0.217	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	130.8	-176.9	-65.6	0	0	0	0	111.4	C77 V78 T82 C110	C77-S80 VanDerWaalsContact O-CB 3.26Å; C77-S80 WeakPolarHBondContact O-CB 3.39Å; C77-S80 PolarHBondContact O-N 3.41Å; C77-S80 PolarHBondContact O-OG 3.33Å; V78-S80 VanDerWaalsContact C-N 3.32Å; V78-S80 PolarHBondContact O-N 3.28Å; S80-T82 PolarHBondContact O-N 3.26Å; S80-T82 VanDerWaalsContact O-N 3.17Å; S80-C110 PolarHBondContact OG-SG 3.06Å
81	G	81.8	Confident	82.1	Confident	5 Å²	5	68.6 Å²	68.6	5%	0.052	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	-4.8	-177.7	0	0	0	0	0	115.8	A79 K83 A84	A79-G81 PolarHBondContact O-N 2.98Å; G81-K83 PolarHBondContact O-N 3.33Å; G81-K83 VanDerWaalsContact O-N 3.12Å; G81-A84 VanDerWaalsContact O-CB 3.25Å; G81-A84 WeakPolarHBondContact O-CB 3.34Å; G81-A84 PolarHBondContact O-N 3.05Å
82	T	83.3	Confident	80.2	Confident	53 Å²	53	76.6 Å²	76.6	33%	0.325	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-64.2	-21	-175.8	56.5	0	0	0	0	114.2	V78 A79 S80 A84 F85	V78-T82 WeakPolarHBondContact O-CG2 3.28Å; A79-T82 WeakPolarHBondContact O-CB 3.36Å; A79-T82 WeakPolarHBondContact O-CG2 3.37Å; A79-T82 PolarHBondContact O-N 2.86Å; A79-T82 PolarHBondContact O-OG1 3Å; S80-T82 PolarHBondContact O-N 3.26Å; S80-T82 VanDerWaalsContact O-N 3.17Å; T82-A84 PolarHBondContact O-N 2.99Å; T82-A84 VanDerWaalsContact O-N 3.12Å; T82-F85 HydrophobicContact CG2-CD2 4.49Å; T82-F85 WeakPolarHBondContact O-CB 3.4Å; T82-F85 PolarHBondContact O-N 3.35Å
83	K	80.5	Confident	78.5	Confident	168 Å²	168	73.8 Å²	73.8	73%	0.73	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-59	-21.9	172.3	-66	179.4	-177.7	173.6	0	113.1	G81 F85	G81-K83 PolarHBondContact O-N 3.33Å; G81-K83 VanDerWaalsContact O-N 3.12Å; K83-F85 VanDerWaalsContact C-N 3.33Å
84	A	74.4	Confident	76.9	Confident	5 Å²	5	78.4 Å²	78.4	4%	0.041	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-67.8	-32.8	174.3	0	0	0	0	0	111.9	G81 T82 K87 L88 W99 W103	G81-A84 VanDerWaalsContact O-CB 3.25Å; G81-A84 WeakPolarHBondContact O-CB 3.34Å; G81-A84 PolarHBondContact O-N 3.05Å; T82-A84 PolarHBondContact O-N 2.99Å; T82-A84 VanDerWaalsContact O-N 3.12Å; A84-K87 WeakPolarHBondContact O-CB 3.34Å; A84-K87 PolarHBondContact O-N 2.88Å; A84-L88 PolarHBondContact O-N 3.3Å; A84-W99 HydrophobicContact CB-CB 4.2Å; A84-W103 HydrophobicContact CB-CB 4.32Å
85	F	70.2	Confident	76.1	Confident	73 Å²	73	81.9 Å²	81.9	32%	0.32	45%	0.453	S	S	.	.	H	α-helix	trans	-68.9	-36	177.7	-65.9	-64.2	0	0	0	113	T82 K83 K87 L88 D89 W103	T82-F85 HydrophobicContact CG2-CD2 4.49Å; T82-F85 WeakPolarHBondContact O-CB 3.4Å; T82-F85 PolarHBondContact O-N 3.35Å; K83-F85 VanDerWaalsContact C-N 3.33Å; F85-K87 PolarHBondContact O-N 3.05Å; F85-L88 HydrophobicContact CD1-CD1 4.47Å; F85-L88 WeakPolarHBondContact O-CA 3.38Å; F85-L88 WeakPolarHBondContact O-CB 3.48Å; F85-L88 PolarHBondContact O-N 3.04Å; F85-D89 PolarHBondContact O-N 2.94Å; F85-W103 AromaticContact CE2-CD1 3.68Å; F85-W103 AromaticContact CE2-CD2 3.74Å; F85-W103 HydrophobicContact CE2-CD2 3.74Å; F85-W103 AromaticContact CE2-CE2 3.63Å; F85-W103 HydrophobicContact CE2-CE3 4.46Å; F85-W103 AromaticContact CE2-CG 3.77Å; F85-W103 HydrophobicContact CE2-CG 3.77Å; F85-W103 HydrophobicContact CE2-CZ2 4.25Å; F85-W103 AromaticContact CE2-NE1 3.58Å; F85-W103 AromaticContact CZ-CD2 3.46Å; F85-W103 HydrophobicContact CZ-CD2 3.46Å; F85-W103 VanDerWaalsContact CZ-CD2 3.46Å; F85-W103 AromaticContact CZ-CE2 3.64Å; F85-W103 AromaticContact CZ-CE3 3.72Å; F85-W103 HydrophobicContact CZ-CE3 3.72Å; F85-W103 AromaticContact CZ-CG 3.84Å; F85-W103 HydrophobicContact CZ-CG 3.84Å; F85-W103 HydrophobicContact CZ-CH2 4.28Å; F85-W103 HydrophobicContact CZ-CZ2 4.06Å; F85-W103 HydrophobicContact CZ-CZ3 4.13Å
86	N	71.5	Confident	75.4	Confident	110 Å²	110	86.1 Å²	86.1	59%	0.588	46%	0.464	S	S	*	.	H	α-helix	trans	-57.4	-24.6	174.7	-66.1	-12	0	0	0	112.3	S90	N86-S90 WeakPolarHBondContact O-CB 3.4Å; N86-S90 PolarHBondContact O-N 2.83Å; N86-S90 PolarHBondContact O-OG 3.23Å
87	K	67.8	Low	74.8	Confident	101 Å²	101	84.6 Å²	84.6	44%	0.439	46%	0.456	S	S	.	.	H	α-helix	trans	-83.3	-34.8	174.9	-60.9	-176.9	179.4	179.7	0	112.7	A84 F85 D89 S90 E91 W99	A84-K87 WeakPolarHBondContact O-CB 3.34Å; A84-K87 PolarHBondContact O-N 2.88Å; F85-K87 PolarHBondContact O-N 3.05Å; K87-D89 VanDerWaalsContact C-N 3.25Å; K87-D89 PolarHBondContact O-N 3.21Å; K87-S90 PolarHBondContact O-N 2.9Å; K87-E91 PolarHBondContact O-N 3.01Å; K87-W99 HydrophobicContact CB-CD2 4.07Å; K87-W99 HydrophobicContact CB-CE3 4.08Å; K87-W99 HydrophobicContact CB-CH2 4.09Å; K87-W99 HydrophobicContact CB-CZ2 4.07Å; K87-W99 HydrophobicContact CB-CZ3 4.09Å; K87-W99 HydrophobicContact CD-CZ2 4.46Å; K87-W99 WeakPolarHBondContact O-CZ3 3.43Å
88	L	65.2	Low	74.4	Confident	70 Å²	70	88.7 Å²	88.7	37%	0.366	48%	0.477	S	S	.	.	H	α-helix	trans	-58.2	-40.1	170.6	-97.2	95.8	0	0	0	111.5	A84 F85 W96 W99	A84-L88 PolarHBondContact O-N 3.3Å; F85-L88 HydrophobicContact CD1-CD1 4.47Å; F85-L88 WeakPolarHBondContact O-CA 3.38Å; F85-L88 WeakPolarHBondContact O-CB 3.48Å; F85-L88 PolarHBondContact O-N 3.04Å; L88-W96 HydrophobicContact CD2-CB 4.35Å; L88-W96 HydrophobicContact CG-CB 4.26Å; L88-W99 HydrophobicContact CD1-CB 3.73Å; L88-W99 HydrophobicContact CD1-CD2 4.36Å; L88-W99 HydrophobicContact CD1-CE3 3.67Å; L88-W99 HydrophobicContact CD1-CG 4.46Å; L88-W99 HydrophobicContact CG-CE3 3.96Å
89	D	60.5	Low	74.2	Confident	145 Å²	145	87 Å²	87	78%	0.775	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-20	-177.6	-67.7	-22.2	0	0	0	113.4	F85 K87	F85-D89 PolarHBondContact O-N 2.94Å; K87-D89 VanDerWaalsContact C-N 3.25Å; K87-D89 PolarHBondContact O-N 3.21Å
90	S	63.7	Low	74	Confident	87 Å²	87	85.1 Å²	85.1	61%	0.608	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-26.8	-171.1	71.8	0	0	0	0	115.6	N86 K87	N86-S90 WeakPolarHBondContact O-CB 3.4Å; N86-S90 PolarHBondContact O-N 2.83Å; N86-S90 PolarHBondContact O-OG 3.23Å; K87-S90 PolarHBondContact O-N 2.9Å
91	E	62.7	Low	74	Confident	112 Å²	112	87.9 Å²	87.9	52%	0.523	46%	0.459	S	S	.	.			trans	-114	111.5	-176.4	-69.6	-175.7	-179	0	0	110.2	K87 G93 W99	K87-E91 PolarHBondContact O-N 3.01Å; E91-G93 PolarHBondContact O-N 3.24Å; E91-G93 VanDerWaalsContact O-N 3.11Å; E91-W99 HydrophobicContact CB-CH2 3.85Å; E91-W99 WeakPolarHBondContact OE2-CZ2 3.3Å
92	E	55.2	Low	74.3	Confident	213 Å²	213	90.8 Å²	90.8	100%	0.995	47%	0.474	S	S	*	.			trans	-67.1	104.6	167.5	-72.2	-176.8	168.1	0	0	108.9
93	G	60.7	Low	74.7	Confident	45 Å²	45	91.8 Å²	91.8	46%	0.464	47%	0.471	S	S	.	.	S	Bend	trans	-170.3	159.2	-174.8	0	0	0	0	0	117.9	E91 M95	E91-G93 PolarHBondContact O-N 3.24Å; E91-G93 VanDerWaalsContact O-N 3.11Å; G93-M95 PolarHBondContact O-N 3.36Å; G93-M95 VanDerWaalsContact O-N 3.13Å
94	S	62.8	Low	75.2	Confident	100 Å²	100	88.2 Å²	88.2	70%	0.699	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	16.9	-172.2	72.3	0	0	0	0	116
95	M	78.4	Confident	76.1	Confident	90 Å²	90	94 Å²	94	44%	0.443	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	11.2	-169.4	-58.1	-63.6	-76.6	0	0	113.5	G93 D97 L98 W99	G93-M95 PolarHBondContact O-N 3.36Å; G93-M95 VanDerWaalsContact O-N 3.13Å; M95-D97 VanDerWaalsContact C-OD1 3.31Å; M95-D97 WeakPolarHBondContact CA-OD1 3.39Å; M95-D97 PolarHBondContact O-N 3.04Å; M95-L98 HydrophobicContact CE-CD1 3.35Å; M95-L98 HydrophobicContact CE-CG 4.2Å; M95-L98 PolarHBondContact O-N 2.88Å; M95-L98 VanDerWaalsContact O-N 3.17Å; M95-W99 HydrophobicContact CB-CZ2 4.26Å; M95-W99 PolarHBondContact O-N 3.15Å
96	W	81.4	Confident	77.2	Confident	159 Å²	159	94 Å²	94	60%	0.602	49%	0.487	S	S	*	.	H	α-helix	trans	-57.8	-31.4	-179.8	64.4	-93.3	0	0	0	112.6	L88 W99 A100	L88-W96 HydrophobicContact CD2-CB 4.35Å; L88-W96 HydrophobicContact CG-CB 4.26Å; W96-W99 HydrophobicContact CB-CE3 4.47Å; W96-W99 PolarHBondContact O-N 3.46Å; W96-A100 PolarHBondContact O-N 3.28Å
97	D	83.9	Confident	78.3	Confident	69 Å²	69	90.4 Å²	90.4	37%	0.369	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-44.5	177.3	63.5	-31.5	0	0	0	111.5	M95 A100 L101	M95-D97 VanDerWaalsContact C-OD1 3.31Å; M95-D97 WeakPolarHBondContact CA-OD1 3.39Å; M95-D97 PolarHBondContact O-N 3.04Å; D97-A100 PolarHBondContact O-N 3.02Å; D97-L101 WeakPolarHBondContact O-CG 3.32Å; D97-L101 PolarHBondContact O-N 3.45Å
98	L	86.8	Confident	79.4	Confident	86 Å²	86	88.2 Å²	88.2	45%	0.45	47%	0.466	S	S	.	.	H	α-helix	trans	-68.2	-35.4	176.4	-61.6	-165	0	0	0	112.1	M95 L101 D102	M95-L98 HydrophobicContact CE-CD1 3.35Å; M95-L98 HydrophobicContact CE-CG 4.2Å; M95-L98 PolarHBondContact O-N 2.88Å; M95-L98 VanDerWaalsContact O-N 3.17Å; L98-L101 HydrophobicContact CD2-CD1 4.38Å; L98-L101 PolarHBondContact O-N 3.48Å; L98-D102 WeakPolarHBondContact O-CB 3.24Å; L98-D102 PolarHBondContact O-N 2.89Å
99	W	86.7	Confident	80.9	Confident	36 Å²	36	91.8 Å²	91.8	14%	0.136	48%	0.481	C	S	.	.	H	α-helix	trans	-67.9	-38.4	175.5	-62.4	-23.7	0	0	0	112.2	A84 K87 L88 E91 M95 W96 D102 W103	A84-W99 HydrophobicContact CB-CB 4.2Å; K87-W99 HydrophobicContact CB-CD2 4.07Å; K87-W99 HydrophobicContact CB-CE3 4.08Å; K87-W99 HydrophobicContact CB-CH2 4.09Å; K87-W99 HydrophobicContact CB-CZ2 4.07Å; K87-W99 HydrophobicContact CB-CZ3 4.09Å; K87-W99 HydrophobicContact CD-CZ2 4.46Å; K87-W99 WeakPolarHBondContact O-CZ3 3.43Å; L88-W99 HydrophobicContact CD1-CB 3.73Å; L88-W99 HydrophobicContact CD1-CD2 4.36Å; L88-W99 HydrophobicContact CD1-CE3 3.67Å; L88-W99 HydrophobicContact CD1-CG 4.46Å; L88-W99 HydrophobicContact CG-CE3 3.96Å; E91-W99 HydrophobicContact CB-CH2 3.85Å; E91-W99 WeakPolarHBondContact OE2-CZ2 3.3Å; M95-W99 HydrophobicContact CB-CZ2 4.26Å; M95-W99 PolarHBondContact O-N 3.15Å; W96-W99 HydrophobicContact CB-CE3 4.47Å; W96-W99 PolarHBondContact O-N 3.46Å; W99-D102 PolarHBondContact O-N 2.92Å; W99-W103 WeakPolarHBondContact O-CB 3.26Å; W99-W103 PolarHBondContact O-N 3.26Å
100	A	86.6	Confident	82.5	Confident	30 Å²	30	86.5 Å²	86.5	25%	0.248	46%	0.455	C	S	.	.	H	α-helix	trans	-64.6	-43.5	173.1	0	0	0	0	0	111.6	W96 D97 W103 I104	W96-A100 PolarHBondContact O-N 3.28Å; D97-A100 PolarHBondContact O-N 3.02Å; A100-W103 PolarHBondContact O-N 3.08Å; A100-I104 WeakPolarHBondContact O-CG1 3.43Å; A100-I104 PolarHBondContact O-N 3.09Å
101	L	89.4	Confident	84	Confident	88 Å²	88	83.3 Å²	83.3	46%	0.461	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-40	175.8	-70.7	173	0	0	0	112.3	D97 L98 I104 Q105	D97-L101 WeakPolarHBondContact O-CG 3.32Å; D97-L101 PolarHBondContact O-N 3.45Å; L98-L101 HydrophobicContact CD2-CD1 4.38Å; L98-L101 PolarHBondContact O-N 3.48Å; L101-I104 PolarHBondContact O-N 2.96Å; L101-Q105 WeakPolarHBondContact O-CB 3.44Å; L101-Q105 VanDerWaalsContact O-CG 3.23Å; L101-Q105 WeakPolarHBondContact O-CG 3.32Å; L101-Q105 PolarHBondContact O-N 2.85Å
102	D	89.4	Confident	85.3	Confident	67 Å²	67	87.4 Å²	87.4	36%	0.358	44%	0.442	S	S	.	.	H	α-helix	trans	-61.1	-45.3	174.2	179.8	48.4	0	0	0	111.3	L98 W99 Q105 Q106	L98-D102 WeakPolarHBondContact O-CB 3.24Å; L98-D102 PolarHBondContact O-N 2.89Å; W99-D102 PolarHBondContact O-N 2.92Å; D102-Q105 PolarHBondContact O-N 3.42Å; D102-Q106 WeakPolarHBondContact O-CB 3.4Å; D102-Q106 WeakPolarHBondContact O-CG 2.88Å; D102-Q106 PolarHBondContact O-N 2.92Å; D102-Q106 PolarHBondContact OD1-NE2 3.44Å; D102-Q106 PolarHBondContact OD2-NE2 3.29Å
103	W	90.8	Very high	87.2	Confident	74 Å²	74	84.2 Å²	84.2	28%	0.28	43%	0.425	S	S	.	.	H	α-helix	trans	-59.1	-49.1	175.3	167.6	61.7	0	0	0	112.4	A84 F85 W99 A100 Q105 Q106 K107	A84-W103 HydrophobicContact CB-CB 4.32Å; F85-W103 AromaticContact CE2-CD1 3.68Å; F85-W103 AromaticContact CE2-CD2 3.74Å; F85-W103 HydrophobicContact CE2-CD2 3.74Å; F85-W103 AromaticContact CE2-CE2 3.63Å; F85-W103 HydrophobicContact CE2-CE3 4.46Å; F85-W103 AromaticContact CE2-CG 3.77Å; F85-W103 HydrophobicContact CE2-CG 3.77Å; F85-W103 HydrophobicContact CE2-CZ2 4.25Å; F85-W103 AromaticContact CE2-NE1 3.58Å; F85-W103 AromaticContact CZ-CD2 3.46Å; F85-W103 HydrophobicContact CZ-CD2 3.46Å; F85-W103 VanDerWaalsContact CZ-CD2 3.46Å; F85-W103 AromaticContact CZ-CE2 3.64Å; F85-W103 AromaticContact CZ-CE3 3.72Å; F85-W103 HydrophobicContact CZ-CE3 3.72Å; F85-W103 AromaticContact CZ-CG 3.84Å; F85-W103 HydrophobicContact CZ-CG 3.84Å; F85-W103 HydrophobicContact CZ-CH2 4.28Å; F85-W103 HydrophobicContact CZ-CZ2 4.06Å; F85-W103 HydrophobicContact CZ-CZ3 4.13Å; W99-W103 WeakPolarHBondContact O-CB 3.26Å; W99-W103 PolarHBondContact O-N 3.26Å; A100-W103 PolarHBondContact O-N 3.08Å; W103-Q105 VanDerWaalsContact C-N 3.33Å; W103-Q105 PolarHBondContact O-N 3.4Å; W103-Q106 PolarHBondContact O-N 3.37Å; W103-K107 HydrophobicContact CZ2-CD 4.34Å; W103-K107 WeakPolarHBondContact O-CB 3.37Å; W103-K107 PolarHBondContact O-N 3.49Å
104	I	91.3	Very high	88.8	Confident	92 Å²	92	82.9 Å²	82.9	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-59.5	-45.3	178.6	-68.9	166.7	0	0	0	110.6	A100 L101 K107 A108	A100-I104 WeakPolarHBondContact O-CG1 3.43Å; A100-I104 PolarHBondContact O-N 3.09Å; L101-I104 PolarHBondContact O-N 2.96Å; I104-K107 PolarHBondContact O-N 3.18Å; I104-A108 VanDerWaalsContact O-CB 3.24Å; I104-A108 WeakPolarHBondContact O-CB 3.27Å; I104-A108 PolarHBondContact O-N 2.81Å
105	Q	93	Very high	90.2	Very high	128 Å²	128	79 Å²	79	60%	0.598	38%	0.38	S	S	*	.	H	α-helix	trans	-63.9	-45.5	-179.7	-73.7	174.3	42.1	0	0	112.1	L101 D102 W103 A108 E109	L101-Q105 WeakPolarHBondContact O-CB 3.44Å; L101-Q105 VanDerWaalsContact O-CG 3.23Å; L101-Q105 WeakPolarHBondContact O-CG 3.32Å; L101-Q105 PolarHBondContact O-N 2.85Å; D102-Q105 PolarHBondContact O-N 3.42Å; W103-Q105 VanDerWaalsContact C-N 3.33Å; W103-Q105 PolarHBondContact O-N 3.4Å; Q105-A108 PolarHBondContact O-N 3.43Å; Q105-E109 WeakPolarHBondContact O-CB 3.43Å; Q105-E109 PolarHBondContact O-N 3.26Å
106	Q	94.3	Very high	90.8	Very high	73 Å²	73	76.2 Å²	76.2	34%	0.341	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-41.2	178.1	-72.4	-178.1	45	0	0	112.2	D102 W103 C110	D102-Q106 WeakPolarHBondContact O-CB 3.4Å; D102-Q106 WeakPolarHBondContact O-CG 2.88Å; D102-Q106 PolarHBondContact O-N 2.92Å; D102-Q106 PolarHBondContact OD1-NE2 3.44Å; D102-Q106 PolarHBondContact OD2-NE2 3.29Å; W103-Q106 PolarHBondContact O-N 3.37Å; Q106-C110 WeakPolarHBondContact O-CB 3.31Å; Q106-C110 PolarHBondContact O-N 3.31Å
107	K	93.3	Very high	91.3	Very high	33 Å²	33	76.3 Å²	76.3	14%	0.143	37%	0.374	C	S	.	.	H	α-helix	trans	-64.6	-43.8	175.7	-172.5	169.7	176.8	-179.1	0	110.9	W103 I104 C110 L111 E242	W103-K107 HydrophobicContact CZ2-CD 4.34Å; W103-K107 WeakPolarHBondContact O-CB 3.37Å; W103-K107 PolarHBondContact O-N 3.49Å; I104-K107 PolarHBondContact O-N 3.18Å; K107-C110 PolarHBondContact O-N 2.93Å; K107-L111 HydrophobicContact CG-CD1 4.2Å; K107-L111 WeakPolarHBondContact O-CG 3.33Å; K107-L111 PolarHBondContact O-N 2.91Å; K107-E242 IonicContact NZ-OE2 3.25Å; K107-E242 PolarHBondContact NZ-OE2 3.24Å
108	A	92.7	Very high	91.5	Very high	55 Å²	55	75.2 Å²	75.2	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-42.7	177.8	0	0	0	0	0	112.9	I104 Q105 R112	I104-A108 VanDerWaalsContact O-CB 3.24Å; I104-A108 WeakPolarHBondContact O-CB 3.27Å; I104-A108 PolarHBondContact O-N 2.81Å; Q105-A108 PolarHBondContact O-N 3.43Å; A108-R112 VanDerWaalsContact O-CB 3.25Å; A108-R112 WeakPolarHBondContact O-CB 3.12Å; A108-R112 PolarHBondContact O-N 3.21Å
109	E	94.9	Very high	91.5	Very high	146 Å²	146	71.2 Å²	71.2	68%	0.682	35%	0.351	S	S	*	.	H	α-helix	trans	-60.9	-46.4	174.9	-175.6	-176.6	-164.1	0	0	111.2	Q105 R112 F113	Q105-E109 WeakPolarHBondContact O-CB 3.43Å; Q105-E109 PolarHBondContact O-N 3.26Å; E109-R112 PolarHBondContact O-N 3.05Å; E109-F113 WeakPolarHBondContact O-CB 3.17Å; E109-F113 PolarHBondContact O-N 3.36Å
110	C	95.8	Very high	91.5	Very high	33 Å²	33	70.3 Å²	70.3	22%	0.223	35%	0.351	C	S	.	.	H	α-helix	trans	-58.4	-51.4	178.2	-175.4	0	0	0	0	111.7	C77 S80 Q106 K107 R112 F113 C114	C77-C110 WeakPolarHBondContact CA-SG 3.4Å; C77-C110 HydrophobicContact CB-CB 3.8Å; C77-C110 WeakPolarHBondContact CB-SG 3.25Å; C77-C110 WeakPolarHBondContact SG-CB 3.49Å; C77-C110 PolarHBondContact SG-O 2.96Å; C77-C110 CovalentContact SG-SG 2.04Å; C77-C110 PolarHBondContact SG-SG 3.39Å; S80-C110 PolarHBondContact OG-SG 3.06Å; Q106-C110 WeakPolarHBondContact O-CB 3.31Å; Q106-C110 PolarHBondContact O-N 3.31Å; K107-C110 PolarHBondContact O-N 2.93Å; C110-R112 PolarHBondContact O-N 3.31Å; C110-F113 PolarHBondContact O-N 3.14Å; C110-C114 WeakPolarHBondContact O-CB 3.49Å; C110-C114 PolarHBondContact O-N 3.24Å
111	L	93.8	Very high	91.4	Very high	21 Å²	21	73.9 Å²	73.9	11%	0.11	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-46.5	-179.5	-72.9	172.1	0	0	0	111.2	C73 C77 K107 F113 C114 I115 V243	C73-L111 HydrophobicContact CB-CD2 4.48Å; C77-L111 HydrophobicContact CB-CD2 3.87Å; C77-L111 HydrophobicContact CB-CG 4.12Å; C77-L111 PolarHBondContact SG-N 3.15Å; K107-L111 HydrophobicContact CG-CD1 4.2Å; K107-L111 WeakPolarHBondContact O-CG 3.33Å; K107-L111 PolarHBondContact O-N 2.91Å; L111-F113 VanDerWaalsContact C-N 3.33Å; L111-F113 PolarHBondContact O-N 2.86Å; L111-C114 PolarHBondContact O-N 3.39Å; L111-I115 WeakPolarHBondContact O-CB 3.31Å; L111-I115 WeakPolarHBondContact O-CD1 3.4Å; L111-I115 VanDerWaalsContact O-CG1 3.22Å; L111-I115 WeakPolarHBondContact O-CG1 3.26Å; L111-I115 PolarHBondContact O-N 3.03Å; L111-V243 HydrophobicContact CD2-CG1 4.38Å; L111-V243 HydrophobicContact CD2-CG2 4.2Å
112	R	91.4	Very high	91.2	Very high	197 Å²	197	73.8 Å²	73.8	74%	0.743	38%	0.375	S	S	*	.	H	α-helix	trans	-58	-45.9	177.6	179.8	-179.7	173.9	177.6	-0.4	111.7	A108 E109 C110 G116	A108-R112 VanDerWaalsContact O-CB 3.25Å; A108-R112 WeakPolarHBondContact O-CB 3.12Å; A108-R112 PolarHBondContact O-N 3.21Å; E109-R112 PolarHBondContact O-N 3.05Å; C110-R112 PolarHBondContact O-N 3.31Å; R112-G116 PolarHBondContact O-N 3.41Å
113	F	93.7	Very high	90.9	Very high	146 Å²	146	71.1 Å²	71.1	64%	0.64	36%	0.363	S	S	*	.	H	α-helix	trans	-67.1	-46.3	178.6	-178.2	-98.5	0	0	0	111.5	E109 C110 L111 G116 R117	E109-F113 WeakPolarHBondContact O-CB 3.17Å; E109-F113 PolarHBondContact O-N 3.36Å; C110-F113 PolarHBondContact O-N 3.14Å; L111-F113 VanDerWaalsContact C-N 3.33Å; L111-F113 PolarHBondContact O-N 2.86Å; F113-G116 PolarHBondContact O-N 3.1Å; F113-R117 HydrophobicContact CE1-CG 4.3Å; F113-R117 HydrophobicContact CZ-CG 4.49Å; F113-R117 WeakPolarHBondContact O-CG 3.16Å; F113-R117 PolarHBondContact O-N 3.19Å
114	C	94.6	Very high	90.5	Very high	18 Å²	18	70.3 Å²	70.3	12%	0.122	36%	0.362	C	S	.	.	H	α-helix	trans	-59.7	-51	-178.9	-176.5	0	0	0	0	111.8	C73 C110 L111 G116 R117	C73-C114 WeakPolarHBondContact CA-SG 3.33Å; C73-C114 HydrophobicContact CB-CB 3.69Å; C73-C114 WeakPolarHBondContact CB-SG 3.34Å; C73-C114 WeakPolarHBondContact SG-CB 3.25Å; C73-C114 CovalentContact SG-SG 2.04Å; C73-C114 PolarHBondContact SG-SG 2.87Å; C110-C114 WeakPolarHBondContact O-CB 3.49Å; C110-C114 PolarHBondContact O-N 3.24Å; L111-C114 PolarHBondContact O-N 3.39Å; C114-G116 VanDerWaalsContact C-N 3.33Å; C114-G116 PolarHBondContact O-N 3.27Å; C114-R117 WeakPolarHBondContact O-CB 3.34Å; C114-R117 PolarHBondContact O-N 3.4Å
115	I	92.5	Very high	90.2	Very high	19 Å²	19	71.3 Å²	71.3	10%	0.097	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-41.8	179.7	-61.8	164.7	0	0	0	110.3	C73 L111 R117 S118 V119 Q124 V243	C73-I115 HydrophobicContact CB-CG1 4.17Å; L111-I115 WeakPolarHBondContact O-CB 3.31Å; L111-I115 WeakPolarHBondContact O-CD1 3.4Å; L111-I115 VanDerWaalsContact O-CG1 3.22Å; L111-I115 WeakPolarHBondContact O-CG1 3.26Å; L111-I115 PolarHBondContact O-N 3.03Å; I115-R117 PolarHBondContact O-N 3.16Å; I115-R117 VanDerWaalsContact O-N 3.09Å; I115-S118 PolarHBondContact O-N 2.81Å; I115-S118 VanDerWaalsContact O-N 3.08Å; I115-V119 HydrophobicContact CG2-CB 3.89Å; I115-V119 HydrophobicContact CG2-CG2 3.84Å; I115-V119 PolarHBondContact O-N 3.14Å; I115-Q124 HydrophobicContact CG2-CG 3.83Å; I115-V243 HydrophobicContact CD1-CG1 3.51Å; I115-V243 HydrophobicContact CG1-CG1 4.24Å
116	G	91.1	Very high	89.8	Confident	30 Å²	30	67.7 Å²	67.7	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-12.8	179.5	0	0	0	0	0	115.6	R112 F113 C114	R112-G116 PolarHBondContact O-N 3.41Å; F113-G116 PolarHBondContact O-N 3.1Å; C114-G116 VanDerWaalsContact C-N 3.33Å; C114-G116 PolarHBondContact O-N 3.27Å
117	R	91	Very high	89.5	Confident	161 Å²	161	65.4 Å²	65.4	61%	0.608	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-27.7	173.4	-69.1	171	70.1	-177.4	0.3	113.1	F113 C114 I115	F113-R117 HydrophobicContact CE1-CG 4.3Å; F113-R117 HydrophobicContact CZ-CG 4.49Å; F113-R117 WeakPolarHBondContact O-CG 3.16Å; F113-R117 PolarHBondContact O-N 3.19Å; C114-R117 WeakPolarHBondContact O-CB 3.34Å; C114-R117 PolarHBondContact O-N 3.4Å; I115-R117 PolarHBondContact O-N 3.16Å; I115-R117 VanDerWaalsContact O-N 3.09Å
118	S	87.6	Confident	89.1	Confident	46 Å²	46	66.3 Å²	66.3	32%	0.322	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-26.6	-171	-56.9	0	0	0	0	112.7	F30 I115	F30-S118 WeakPolarHBondContact CD2-O 3.36Å; F30-S118 PolarHBondContact N-O 2.98Å; I115-S118 PolarHBondContact O-N 2.81Å; I115-S118 VanDerWaalsContact O-N 3.08Å
119	V	88.1	Confident	88.6	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.018	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-115.2	125.6	-174.4	-168.6	0	0	0	0	110.1	F30 L66 T69 I115 G123 Q124	F30-V119 HydrophobicContact CD2-CG2 4.35Å; L66-V119 HydrophobicContact CD1-CG1 4.22Å; L66-V119 HydrophobicContact CD1-CG2 3.81Å; T69-V119 HydrophobicContact CG2-CG2 4.27Å; I115-V119 HydrophobicContact CG2-CB 3.89Å; I115-V119 HydrophobicContact CG2-CG2 3.84Å; I115-V119 PolarHBondContact O-N 3.14Å; V119-G123 VanDerWaalsContact CG1-C 3.47Å; V119-G123 WeakPolarHBondContact CG1-O 3.34Å; V119-Q124 HydrophobicContact CB-CG 4.03Å; V119-Q124 HydrophobicContact CG1-CG 3.79Å; V119-Q124 PolarHBondContact O-NE2 2.74Å
120	A	85.6	Confident	88	Confident	16 Å²	16	68.1 Å²	68.1	13%	0.132	36%	0.363	C	S	.	.			trans	-62.2	154	176.6	0	0	0	0	0	110.9	H29 T122 G123 Q124	H29-A120 HydrophobicContact CB-CB 3.71Å; A120-T122 PolarHBondContact O-N 3.43Å; A120-T122 VanDerWaalsContact O-N 3.08Å; A120-G123 WeakPolarHBondContact O-CA 3.3Å; A120-G123 PolarHBondContact O-N 3.49Å; A120-Q124 PolarHBondContact O-N 2.89Å
121	P	85.7	Confident	87.7	Confident	105 Å²	105	66.6 Å²	66.6	68%	0.682	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52.4	-34.8	177.8	-28.9	35.7	0	0	0	114.4	Q124	P121-Q124 PolarHBondContact O-N 3.35Å
122	T	84.4	Confident	87.4	Confident	87 Å²	87	69.9 Å²	69.9	53%	0.534	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-70.5	-33.7	175.7	49.1	0	0	0	0	113.2	A120 Q124 L125	A120-T122 PolarHBondContact O-N 3.43Å; A120-T122 VanDerWaalsContact O-N 3.08Å; T122-Q124 PolarHBondContact O-N 2.5Å; T122-L125 PolarHBondContact O-N 3.44Å
123	G	82.8	Confident	87.2	Confident	10 Å²	10	67.7 Å²	67.7	10%	0.103	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-79.7	-6.8	176.8	0	0	0	0	0	113.9	V119 A120	V119-G123 VanDerWaalsContact CG1-C 3.47Å; V119-G123 WeakPolarHBondContact CG1-O 3.34Å; A120-G123 WeakPolarHBondContact O-CA 3.3Å; A120-G123 PolarHBondContact O-N 3.49Å
124	Q	83.8	Confident	86.9	Confident	58 Å²	58	63.1 Å²	63.1	27%	0.271	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-89.9	-4.2	172.3	-65.4	178.8	34.6	0	0	112.7	I115 V119 A120 P121 T122 P245	I115-Q124 HydrophobicContact CG2-CG 3.83Å; V119-Q124 HydrophobicContact CB-CG 4.03Å; V119-Q124 HydrophobicContact CG1-CG 3.79Å; V119-Q124 PolarHBondContact O-NE2 2.74Å; A120-Q124 PolarHBondContact O-N 2.89Å; P121-Q124 PolarHBondContact O-N 3.35Å; T122-Q124 PolarHBondContact O-N 2.5Å; Q124-P245 WeakPolarHBondContact O-CB 3.33Å; Q124-P245 WeakPolarHBondContact O-CG 3.26Å
125	L	84.4	Confident	86.9	Confident	112 Å²	112	62.5 Å²	62.5	59%	0.586	34%	0.337	S	S	*	.	S	Bend	trans	-75.8	150.4	176	-63.3	176	0	0	0	110.4	T122	T122-L125 PolarHBondContact O-N 3.44Å
126	P	84.8	Confident	86.7	Confident	52 Å²	52	66.9 Å²	66.9	34%	0.338	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-63.8	143.2	171.8	27.8	-31.8	0	0	0	109.8	P245 L247	P126-P245 HydrophobicContact CB-CB 4.48Å; P126-P245 HydrophobicContact CB-CG 4.2Å; P126-L247 HydrophobicContact CB-CG 4.49Å; P126-L247 HydrophobicContact CG-CD2 3.76Å; P126-L247 HydrophobicContact CG-CG 3.96Å
127	V	86.9	Confident	86.6	Confident	25 Å²	25	66.7 Å²	66.7	15%	0.152	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-84.2	165.1	170.9	-65.6	0	0	0	0	110.1	Y33 D34 I131 E132	Y33-V127 HydrophobicContact CE1-CG1 3.93Å; Y33-V127 HydrophobicContact CE2-CG1 4.24Å; Y33-V127 WeakPolarHBondContact OH-CG1 3.48Å; Y33-V127 WeakPolarHBondContact OH-CG2 3.28Å; D34-V127 HydrophobicContact CB-CG1 4.1Å; V127-I131 HydrophobicContact CB-CB 4.3Å; V127-I131 HydrophobicContact CB-CG2 4.09Å; V127-I131 HydrophobicContact CG1-CG2 4.37Å; V127-I131 HydrophobicContact CG2-CG2 4.28Å; V127-E132 HydrophobicContact CG2-CG 3.67Å
128	S	84.7	Confident	86.8	Confident	52 Å²	52	59.5 Å²	59.5	36%	0.364	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-73.3	153.5	173.5	61.8	0	0	0	0	111.8	D130 I131 E132	S128-D130 PolarHBondContact O-N 2.78Å; S128-I131 PolarHBondContact O-N 2.9Å; S128-I131 PolarHBondContact OG-N 2.93Å; S128-E132 PolarHBondContact O-N 3.36Å; S128-E132 VanDerWaalsContact O-N 3.1Å
129	N	83.9	Confident	87.1	Confident	125 Å²	125	58.2 Å²	58.2	67%	0.668	32%	0.316	S	S	*	.	H	α-helix	trans	-56	-32.5	172.5	-63.5	-6.3	0	0	0	112.1	I131 E132 Y133	N129-I131 PolarHBondContact O-N 3.31Å; N129-E132 PolarHBondContact O-N 3.22Å; N129-Y133 WeakPolarHBondContact O-CB 3.33Å; N129-Y133 PolarHBondContact O-N 3.34Å
130	D	80.6	Confident	87.6	Confident	114 Å²	114	58.1 Å²	58.1	61%	0.61	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-45.8	174.6	-60	-21.9	0	0	0	110.9	S128 E132 Y133 E134	S128-D130 PolarHBondContact O-N 2.78Å; D130-E132 VanDerWaalsContact C-N 3.34Å; D130-E132 PolarHBondContact O-N 3.08Å; D130-Y133 WeakPolarHBondContact O-CB 3.41Å; D130-Y133 PolarHBondContact O-N 2.96Å; D130-E134 WeakPolarHBondContact O-CG 2.92Å; D130-E134 PolarHBondContact O-N 3.35Å
131	I	89.6	Confident	88.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-38.3	177.8	-71.6	-59.8	0	0	0	111.4	Y33 D34 Y37 Y38 V127 S128 N129 Y133 E134 F135	Y33-I131 HydrophobicContact CD2-CG2 4.34Å; Y33-I131 HydrophobicContact CE2-CG2 3.57Å; D34-I131 HydrophobicContact CB-CD1 4.42Å; D34-I131 HydrophobicContact CB-CG1 4.06Å; D34-I131 HydrophobicContact CB-CG2 4.07Å; Y37-I131 HydrophobicContact CD1-CD1 3.59Å; Y37-I131 HydrophobicContact CE1-CD1 4.05Å; Y38-I131 HydrophobicContact CD2-CD1 4.33Å; Y38-I131 HydrophobicContact CE1-CD1 4.13Å; Y38-I131 HydrophobicContact CE2-CD1 3.61Å; Y38-I131 HydrophobicContact CE2-CG1 3.96Å; Y38-I131 VanDerWaalsContact CZ-CD1 3.48Å; Y38-I131 WeakPolarHBondContact OH-CD1 3.26Å; V127-I131 HydrophobicContact CB-CB 4.3Å; V127-I131 HydrophobicContact CB-CG2 4.09Å; V127-I131 HydrophobicContact CG1-CG2 4.37Å; V127-I131 HydrophobicContact CG2-CG2 4.28Å; S128-I131 PolarHBondContact O-N 2.9Å; S128-I131 PolarHBondContact OG-N 2.93Å; N129-I131 PolarHBondContact O-N 3.31Å; I131-Y133 VanDerWaalsContact C-N 3.33Å; I131-E134 PolarHBondContact O-N 2.82Å; I131-F135 HydrophobicContact CG2-CD2 4.09Å; I131-F135 HydrophobicContact CG2-CE2 4.16Å; I131-F135 WeakPolarHBondContact O-CD2 3.49Å; I131-F135 PolarHBondContact O-N 2.54Å; I131-F135 VanDerWaalsContact O-N 3.16Å
132	E	88.3	Confident	88.6	Confident	90 Å²	90	54 Å²	54	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-46.3	173.7	-64.5	-172.9	162	0	0	111	V127 S128 N129 D130 E134 F135 N136	V127-E132 HydrophobicContact CG2-CG 3.67Å; S128-E132 PolarHBondContact O-N 3.36Å; S128-E132 VanDerWaalsContact O-N 3.1Å; N129-E132 PolarHBondContact O-N 3.22Å; D130-E132 VanDerWaalsContact C-N 3.34Å; D130-E132 PolarHBondContact O-N 3.08Å; E132-E134 PolarHBondContact O-N 3.5Å; E132-F135 PolarHBondContact O-N 3.48Å; E132-N136 VanDerWaalsContact O-CB 3.3Å; E132-N136 WeakPolarHBondContact O-CB 3.36Å; E132-N136 PolarHBondContact O-N 3.11Å; E132-N136 PolarHBondContact O-ND2 3.22Å; E132-N136 PolarHBondContact O-OD1 3.11Å
133	Y	86.3	Confident	89.2	Confident	151 Å²	151	50.8 Å²	50.8	59%	0.592	26%	0.264	S	S	*	.	H	α-helix	trans	-58.5	-47.1	176	178.2	-94	0	0	0	112.4	N129 D130 I131 F135 N136 T137	N129-Y133 WeakPolarHBondContact O-CB 3.33Å; N129-Y133 PolarHBondContact O-N 3.34Å; D130-Y133 WeakPolarHBondContact O-CB 3.41Å; D130-Y133 PolarHBondContact O-N 2.96Å; I131-Y133 VanDerWaalsContact C-N 3.33Å; Y133-F135 VanDerWaalsContact C-N 3.3Å; Y133-F135 PolarHBondContact O-N 2.73Å; Y133-N136 PolarHBondContact O-N 2.96Å; Y133-T137 HydrophobicContact CD1-CG2 4.38Å; Y133-T137 HydrophobicContact CD2-CG2 4.12Å; Y133-T137 HydrophobicContact CE1-CG2 4Å; Y133-T137 HydrophobicContact CE2-CG2 3.73Å; Y133-T137 HydrophobicContact CG-CG2 4.43Å; Y133-T137 WeakPolarHBondContact O-CB 3.26Å; Y133-T137 WeakPolarHBondContact O-CG2 3.18Å; Y133-T137 PolarHBondContact O-N 3.13Å; Y133-T137 PolarHBondContact O-OG1 2.97Å
134	E	88.6	Confident	89.9	Confident	51 Å²	51	50.3 Å²	50.3	24%	0.238	26%	0.259	C	S	.	.	H	α-helix	trans	-58.1	-40.8	179.5	-70.2	-72.2	151.8	0	0	112.2	Y37 D130 I131 E132 T137 R138 N139 P140	Y37-E134 HydrophobicContact CE1-CB 4.08Å; Y37-E134 HydrophobicContact CE1-CG 4.07Å; Y37-E134 PolarHBondContact OH-OE2 3.44Å; D130-E134 WeakPolarHBondContact O-CG 2.92Å; D130-E134 PolarHBondContact O-N 3.35Å; I131-E134 PolarHBondContact O-N 2.82Å; E132-E134 PolarHBondContact O-N 3.5Å; E134-T137 PolarHBondContact O-OG1 3.48Å; E134-R138 PolarHBondContact O-N 2.89Å; E134-N139 WeakPolarHBondContact O-CB 3.29Å; E134-N139 PolarHBondContact O-N 2.83Å; E134-N139 WeakPolarHBondContact OE2-CB 3.43Å; E134-N139 PolarHBondContact OE2-ND2 3.49Å; E134-P140 WeakPolarHBondContact O-CD 3.35Å
135	F	94.2	Very high	90.5	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	25%	0.246	C	C	.	.	H	α-helix	trans	-80.4	-36.3	177.3	-80.5	-101.4	0	0	0	113	Y33 Y37 I60 K63 I131 E132 Y133 T137 R138 P140	Y33-F135 HydrophobicContact CD2-CD2 4.36Å; Y33-F135 HydrophobicContact CD2-CE1 4.26Å; Y33-F135 AromaticContact CD2-CE2 3.69Å; Y33-F135 HydrophobicContact CD2-CE2 3.69Å; Y33-F135 AromaticContact CD2-CZ 3.62Å; Y33-F135 HydrophobicContact CD2-CZ 3.62Å; Y33-F135 HydrophobicContact CE2-CD2 4.16Å; Y33-F135 AromaticContact CE2-CE2 3.92Å; Y33-F135 HydrophobicContact CE2-CE2 3.92Å; Y33-F135 HydrophobicContact CE2-CZ 4.23Å; Y37-F135 HydrophobicContact CD1-CE2 4.48Å; Y37-F135 HydrophobicContact CD2-CE2 4.23Å; Y37-F135 HydrophobicContact CD2-CZ 4.4Å; Y37-F135 AromaticContact CG-CE2 3.99Å; Y37-F135 HydrophobicContact CG-CE2 3.99Å; Y37-F135 HydrophobicContact CG-CZ 4.39Å; I60-F135 HydrophobicContact CG1-CE1 4.3Å; K63-F135 HydrophobicContact CB-CE1 4.33Å; K63-F135 HydrophobicContact CD-CB 4.1Å; K63-F135 HydrophobicContact CD-CD1 3.45Å; K63-F135 VanDerWaalsContact CD-CD1 3.45Å; K63-F135 HydrophobicContact CD-CE1 4.04Å; K63-F135 HydrophobicContact CD-CG 3.91Å; K63-F135 VanDerWaalsContact NZ-CB 3.3Å; I131-F135 HydrophobicContact CG2-CD2 4.09Å; I131-F135 HydrophobicContact CG2-CE2 4.16Å; I131-F135 WeakPolarHBondContact O-CD2 3.49Å; I131-F135 PolarHBondContact O-N 2.54Å; I131-F135 VanDerWaalsContact O-N 3.16Å; E132-F135 PolarHBondContact O-N 3.48Å; Y133-F135 VanDerWaalsContact C-N 3.3Å; Y133-F135 PolarHBondContact O-N 2.73Å; F135-T137 VanDerWaalsContact C-N 3.27Å; F135-T137 PolarHBondContact O-N 3.46Å; F135-R138 WeakPolarHBondContact O-CA 3.36Å; F135-R138 PolarHBondContact O-N 2.72Å; F135-P140 HydrophobicContact CD1-CG 4.03Å; F135-P140 HydrophobicContact CD2-CG 4.43Å; F135-P140 HydrophobicContact CE1-CG 3.95Å; F135-P140 HydrophobicContact CE2-CG 4.36Å; F135-P140 HydrophobicContact CG-CG 4.29Å; F135-P140 HydrophobicContact CZ-CG 4.13Å
136	N	88.8	Confident	90.9	Very high	111 Å²	111	43.8 Å²	43.8	59%	0.594	23%	0.227	S	C	*	.	H	α-helix	trans	-66.7	-32.5	178.4	-68.9	-8.5	0	0	0	111.5	E132 Y133 R138	E132-N136 VanDerWaalsContact O-CB 3.3Å; E132-N136 WeakPolarHBondContact O-CB 3.36Å; E132-N136 PolarHBondContact O-N 3.11Å; E132-N136 PolarHBondContact O-ND2 3.22Å; E132-N136 PolarHBondContact O-OD1 3.11Å; Y133-N136 PolarHBondContact O-N 2.96Å; N136-R138 PolarHBondContact O-N 2.82Å
137	T	88.4	Confident	91.5	Very high	26 Å²	26	41.3 Å²	41.3	16%	0.16	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.5	171.1	58.8	0	0	0	0	113.3	Y133 E134 F135 N139 N168	Y133-T137 HydrophobicContact CD1-CG2 4.38Å; Y133-T137 HydrophobicContact CD2-CG2 4.12Å; Y133-T137 HydrophobicContact CE1-CG2 4Å; Y133-T137 HydrophobicContact CE2-CG2 3.73Å; Y133-T137 HydrophobicContact CG-CG2 4.43Å; Y133-T137 WeakPolarHBondContact O-CB 3.26Å; Y133-T137 WeakPolarHBondContact O-CG2 3.18Å; Y133-T137 PolarHBondContact O-N 3.13Å; Y133-T137 PolarHBondContact O-OG1 2.97Å; E134-T137 PolarHBondContact O-OG1 3.48Å; F135-T137 VanDerWaalsContact C-N 3.27Å; F135-T137 PolarHBondContact O-N 3.46Å; T137-N139 PolarHBondContact O-N 3.31Å; T137-N139 VanDerWaalsContact O-N 3.15Å; T137-N168 PolarHBondContact O-ND2 3.02Å
138	R	95.9	Very high	92.1	Very high	10 Å²	10	40.4 Å²	40.4	4%	0.038	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	26.2	179.1	-55.3	-175.2	-176.1	175.9	-5.6	113.8	E134 F135 N136 P140 Y141 T163 Y164 A167 D194 E196	E134-R138 PolarHBondContact O-N 2.89Å; F135-R138 WeakPolarHBondContact O-CA 3.36Å; F135-R138 PolarHBondContact O-N 2.72Å; N136-R138 PolarHBondContact O-N 2.82Å; R138-P140 VanDerWaalsContact C-N 3.35Å; R138-Y141 HydrophobicContact CB-CD2 3.91Å; R138-Y141 HydrophobicContact CB-CE2 4.4Å; R138-Y141 WeakPolarHBondContact O-CB 3.41Å; R138-Y141 WeakPolarHBondContact O-CD2 3.25Å; R138-Y141 PolarHBondContact O-N 2.82Å; R138-T163 WeakPolarHBondContact CD-O 3.4Å; R138-T163 PolarHBondContact NH1-O 2.98Å; R138-Y164 WeakPolarHBondContact O-CD2 3.42Å; R138-A167 HydrophobicContact CB-CB 4.18Å; R138-A167 HydrophobicContact CG-CB 3.82Å; R138-D194 IonicContact CZ-OD1 3.6Å; R138-D194 IonicContact CZ-OD2 3.52Å; R138-D194 IonicContact NH1-OD1 2.91Å; R138-D194 PolarHBondContact NH1-OD1 3.42Å; R138-D194 IonicContact NH1-OD2 2.71Å; R138-D194 PolarHBondContact NH1-OD2 2.97Å; R138-D194 IonicContact NH2-OD2 3.44Å; R138-D194 PolarHBondContact NH2-OD2 3.49Å; R138-E196 IonicContact NE-OE2 2.8Å; R138-E196 PolarHBondContact NH2-O 3.04Å; R138-E196 VanDerWaalsContact NH2-O 3.13Å
139	N	94.2	Very high	92.6	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.102	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-26.9	-176.3	-157.4	35.8	0	0	0	115.7	E134 T137 Y141 N142 F143 Y164	E134-N139 WeakPolarHBondContact O-CB 3.29Å; E134-N139 PolarHBondContact O-N 2.83Å; E134-N139 WeakPolarHBondContact OE2-CB 3.43Å; E134-N139 PolarHBondContact OE2-ND2 3.49Å; T137-N139 PolarHBondContact O-N 3.31Å; T137-N139 VanDerWaalsContact O-N 3.15Å; N139-Y141 PolarHBondContact O-N 3.05Å; N139-Y141 VanDerWaalsContact O-N 3.07Å; N139-N142 VanDerWaalsContact O-CB 3.23Å; N139-N142 WeakPolarHBondContact O-CB 3.33Å; N139-N142 PolarHBondContact O-N 3.13Å; N139-N142 VanDerWaalsContact OD1-CB 3.27Å; N139-N142 WeakPolarHBondContact OD1-CB 3.39Å; N139-N142 PolarHBondContact OD1-ND2 2.77Å; N139-N142 VanDerWaalsContact OD1-ND2 3.15Å; N139-F143 WeakPolarHBondContact ND2-CE2 3.12Å; N139-F143 WeakPolarHBondContact O-CD2 3.48Å; N139-F143 PolarHBondContact O-N 3.48Å; N139-Y164 HydrophobicContact CB-CE2 4.37Å
140	P	98	Very high	93.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-50.4	-34.2	169.4	-30.5	36	0	0	0	113.8	Y37 I60 E134 F135 R138 F143 L144	Y37-P140 HydrophobicContact CD2-CB 4.49Å; Y37-P140 HydrophobicContact CD2-CG 3.99Å; Y37-P140 HydrophobicContact CE2-CB 4.28Å; Y37-P140 HydrophobicContact CE2-CG 3.77Å; I60-P140 HydrophobicContact CD1-CB 3.89Å; I60-P140 HydrophobicContact CG1-CB 3.99Å; E134-P140 WeakPolarHBondContact O-CD 3.35Å; F135-P140 HydrophobicContact CD1-CG 4.03Å; F135-P140 HydrophobicContact CD2-CG 4.43Å; F135-P140 HydrophobicContact CE1-CG 3.95Å; F135-P140 HydrophobicContact CE2-CG 4.36Å; F135-P140 HydrophobicContact CG-CG 4.29Å; F135-P140 HydrophobicContact CZ-CG 4.13Å; R138-P140 VanDerWaalsContact C-N 3.35Å; P140-F143 PolarHBondContact O-N 3.34Å; P140-L144 WeakPolarHBondContact O-CG 3.44Å; P140-L144 PolarHBondContact O-N 3.29Å
141	Y	98.2	Very high	94	Very high	1 Å²	1	38 Å²	38	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-73.8	-27.2	178.8	-61.9	-85.7	0	0	0	113.7	I60 R138 N139 F143 L144 Q145 A160 T163 R195 E196	I60-Y141 HydrophobicContact CD1-CE1 3.98Å; I60-Y141 HydrophobicContact CD1-CE2 4.08Å; R138-Y141 HydrophobicContact CB-CD2 3.91Å; R138-Y141 HydrophobicContact CB-CE2 4.4Å; R138-Y141 WeakPolarHBondContact O-CB 3.41Å; R138-Y141 WeakPolarHBondContact O-CD2 3.25Å; R138-Y141 PolarHBondContact O-N 2.82Å; N139-Y141 PolarHBondContact O-N 3.05Å; N139-Y141 VanDerWaalsContact O-N 3.07Å; Y141-F143 VanDerWaalsContact C-N 3.3Å; Y141-F143 PolarHBondContact O-N 3.17Å; Y141-L144 HydrophobicContact CD1-CD1 4.25Å; Y141-L144 PolarHBondContact O-N 3.12Å; Y141-Q145 WeakPolarHBondContact O-CG 3.39Å; Y141-Q145 PolarHBondContact O-N 3.42Å; Y141-A160 WeakPolarHBondContact CB-O 3.13Å; Y141-A160 HydrophobicContact CD1-CB 4.12Å; Y141-T163 HydrophobicContact CD1-CG2 3.77Å; Y141-T163 HydrophobicContact CD2-CG2 3.6Å; Y141-T163 HydrophobicContact CE1-CG2 3.75Å; Y141-T163 HydrophobicContact CE2-CG2 3.6Å; Y141-T163 HydrophobicContact CG-CG2 3.67Å; Y141-R195 HydrophobicContact CE1-CB 4.11Å; Y141-E196 HydrophobicContact CE2-CG 4.04Å; Y141-E196 WeakPolarHBondContact CE2-OE1 3.43Å; Y141-E196 WeakPolarHBondContact OH-CG 3.3Å; Y141-E196 PolarHBondContact OH-OE1 3.22Å
142	N	94.6	Very high	94.3	Very high	34 Å²	34	46 Å²	46	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-40.1	172.7	-172.3	21.2	0	0	0	111.4	N139 Q145 Y164 M174	N139-N142 VanDerWaalsContact O-CB 3.23Å; N139-N142 WeakPolarHBondContact O-CB 3.33Å; N139-N142 PolarHBondContact O-N 3.13Å; N139-N142 VanDerWaalsContact OD1-CB 3.27Å; N139-N142 WeakPolarHBondContact OD1-CB 3.39Å; N139-N142 PolarHBondContact OD1-ND2 2.77Å; N139-N142 VanDerWaalsContact OD1-ND2 3.15Å; N142-Q145 WeakPolarHBondContact O-CG 3.4Å; N142-Q145 PolarHBondContact O-NE2 2.66Å; N142-Y164 HydrophobicContact CB-CD1 4.25Å; N142-Y164 HydrophobicContact CB-CD2 3.8Å; N142-Y164 HydrophobicContact CB-CE1 4.24Å; N142-Y164 HydrophobicContact CB-CE2 3.81Å; N142-Y164 HydrophobicContact CB-CG 4.01Å; N142-M174 HydrophobicContact CB-CE 4.24Å; N142-M174 VanDerWaalsContact OD1-CE 3.24Å; N142-M174 WeakPolarHBondContact OD1-CE 3.3Å
143	F	95.5	Very high	94.7	Very high	19 Å²	19	46.6 Å²	46.6	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-73.9	-42.6	172.7	-63	-72.1	0	0	0	112.1	Y37 V41 Y44 Y45 L56 N139 P140 Y141 Q145 V146 T147	Y37-F143 HydrophobicContact CE2-CD2 4.37Å; Y37-F143 HydrophobicContact CE2-CE2 4.43Å; Y37-F143 WeakPolarHBondContact OH-CE2 3.39Å; V41-F143 HydrophobicContact CG1-CE1 4.24Å; V41-F143 HydrophobicContact CG1-CZ 4.12Å; V41-F143 HydrophobicContact CG2-CD2 4.02Å; V41-F143 HydrophobicContact CG2-CE2 3.85Å; V41-F143 HydrophobicContact CG2-CG 4.46Å; V41-F143 HydrophobicContact CG2-CZ 4.14Å; Y44-F143 AromaticContact CD1-CD1 3.61Å; Y44-F143 HydrophobicContact CD1-CD1 3.61Å; Y44-F143 HydrophobicContact CD1-CE1 4.04Å; Y44-F143 HydrophobicContact CD2-CB 4.3Å; Y44-F143 HydrophobicContact CD2-CD1 4.23Å; Y44-F143 AromaticContact CE1-CD1 3.74Å; Y44-F143 HydrophobicContact CE1-CD1 3.74Å; Y44-F143 HydrophobicContact CE1-CE1 4.14Å; Y44-F143 HydrophobicContact CE2-CD1 4.34Å; Y44-F143 AromaticContact CG-CD1 3.87Å; Y44-F143 HydrophobicContact CG-CD1 3.87Å; Y45-F143 HydrophobicContact CE2-CE1 4.29Å; L56-F143 HydrophobicContact CD1-CB 3.52Å; N139-F143 WeakPolarHBondContact ND2-CE2 3.12Å; N139-F143 WeakPolarHBondContact O-CD2 3.48Å; N139-F143 PolarHBondContact O-N 3.48Å; P140-F143 PolarHBondContact O-N 3.34Å; Y141-F143 VanDerWaalsContact C-N 3.3Å; Y141-F143 PolarHBondContact O-N 3.17Å; F143-Q145 VanDerWaalsContact C-N 3.33Å; F143-Q145 PolarHBondContact O-N 3.22Å; F143-V146 PolarHBondContact O-N 2.83Å; F143-T147 WeakPolarHBondContact O-CB 3.42Å; F143-T147 PolarHBondContact O-N 3.1Å; F143-T147 PolarHBondContact O-OG1 2.85Å
144	L	98.4	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-37.5	-178.9	-77.6	169.9	0	0	0	112.7	A53 L56 E57 I60 P140 Y141 V146 T147 Y148 A160	A53-L144 HydrophobicContact CB-CD2 4.48Å; L56-L144 HydrophobicContact CB-CD1 4.33Å; L56-L144 HydrophobicContact CB-CD2 3.69Å; L56-L144 HydrophobicContact CB-CG 3.86Å; L56-L144 HydrophobicContact CD1-CD2 4.2Å; L56-L144 HydrophobicContact CD1-CG 4.2Å; E57-L144 HydrophobicContact CG-CD1 4.4Å; E57-L144 HydrophobicContact CG-CD2 4Å; I60-L144 HydrophobicContact CD1-CD1 3.59Å; P140-L144 WeakPolarHBondContact O-CG 3.44Å; P140-L144 PolarHBondContact O-N 3.29Å; Y141-L144 HydrophobicContact CD1-CD1 4.25Å; Y141-L144 PolarHBondContact O-N 3.12Å; L144-V146 PolarHBondContact O-N 2.91Å; L144-T147 PolarHBondContact O-N 3.34Å; L144-Y148 HydrophobicContact CB-CD2 4.14Å; L144-Y148 HydrophobicContact CB-CE2 4.06Å; L144-Y148 HydrophobicContact CD2-CE2 3.95Å; L144-Y148 HydrophobicContact CG-CE2 4.45Å; L144-Y148 WeakPolarHBondContact O-CB 3.21Å; L144-Y148 VanDerWaalsContact O-CD2 3.22Å; L144-Y148 WeakPolarHBondContact O-CD2 3.24Å; L144-Y148 PolarHBondContact O-N 3.46Å; L144-A160 HydrophobicContact CB-CB 4.09Å
145	Q	97	Very high	95.6	Very high	2 Å²	2	44 Å²	44	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-43.9	-178.6	64.7	82.1	17.3	0	0	112.5	Y141 N142 F143 T147 Y148 Y149 A157 A160 A161 M174 N177 Y181	Y141-Q145 WeakPolarHBondContact O-CG 3.39Å; Y141-Q145 PolarHBondContact O-N 3.42Å; N142-Q145 WeakPolarHBondContact O-CG 3.4Å; N142-Q145 PolarHBondContact O-NE2 2.66Å; F143-Q145 VanDerWaalsContact C-N 3.33Å; F143-Q145 PolarHBondContact O-N 3.22Å; Q145-T147 VanDerWaalsContact C-N 3.35Å; Q145-Y148 PolarHBondContact O-N 2.91Å; Q145-Y149 WeakPolarHBondContact O-CB 3.45Å; Q145-Y149 PolarHBondContact O-N 2.85Å; Q145-A157 WeakPolarHBondContact CB-O 3.43Å; Q145-A157 WeakPolarHBondContact O-CB 3.36Å; Q145-A160 HydrophobicContact CB-CB 3.88Å; Q145-A161 HydrophobicContact CB-CB 3.93Å; Q145-A161 HydrophobicContact CG-CB 4.2Å; Q145-M174 HydrophobicContact CG-CE 3.6Å; Q145-M174 HydrophobicContact CG-SD 3.9Å; Q145-N177 PolarHBondContact NE2-ND2 2.71Å; Q145-Y181 HydrophobicContact CB-CE2 4.44Å; Q145-Y181 PolarHBondContact O-OH 2.81Å; Q145-Y181 PolarHBondContact OE1-OH 3.41Å
146	V	93.1	Very high	95.7	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-42.3	174.4	178.7	0	0	0	0	110.3	Y44 W49 F143 L144 Y148 Y149 K150	Y44-V146 HydrophobicContact CE2-CB 3.83Å; Y44-V146 HydrophobicContact CE2-CG1 3.96Å; Y44-V146 WeakPolarHBondContact OH-CB 3.22Å; Y44-V146 WeakPolarHBondContact OH-CG1 3.4Å; Y44-V146 WeakPolarHBondContact OH-CG2 3.1Å; W49-V146 HydrophobicContact CZ3-CG1 4.38Å; F143-V146 PolarHBondContact O-N 2.83Å; L144-V146 PolarHBondContact O-N 2.91Å; V146-Y148 VanDerWaalsContact C-N 3.33Å; V146-Y148 PolarHBondContact O-N 3.13Å; V146-Y149 WeakPolarHBondContact O-CB 3.22Å; V146-Y149 PolarHBondContact O-N 2.99Å; V146-K150 HydrophobicContact CG1-CG 4.22Å; V146-K150 VanDerWaalsContact O-CG 3.28Å; V146-K150 WeakPolarHBondContact O-CG 3.48Å; V146-K150 PolarHBondContact O-N 3.5Å
147	T	97.4	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-45.4	-179.8	-54.5	0	0	0	0	111.4	Y44 W49 A52 A53 F143 L144 Q145 K150 L151	Y44-T147 WeakPolarHBondContact CD2-OG1 3.4Å; W49-T147 HydrophobicContact CB-CG2 4.12Å; W49-T147 HydrophobicContact CE3-CG2 4.39Å; W49-T147 WeakPolarHBondContact O-CG2 3.48Å; A52-T147 HydrophobicContact CB-CG2 4.05Å; A53-T147 HydrophobicContact CB-CG2 3.66Å; F143-T147 WeakPolarHBondContact O-CB 3.42Å; F143-T147 PolarHBondContact O-N 3.1Å; F143-T147 PolarHBondContact O-OG1 2.85Å; L144-T147 PolarHBondContact O-N 3.34Å; Q145-T147 VanDerWaalsContact C-N 3.35Å; T147-K150 PolarHBondContact O-N 2.86Å; T147-L151 HydrophobicContact CG2-CD1 4.24Å; T147-L151 VanDerWaalsContact O-CG 3.32Å; T147-L151 WeakPolarHBondContact O-CG 3.46Å; T147-L151 PolarHBondContact O-N 2.83Å; T147-L151 VanDerWaalsContact O-N 3.09Å
148	Y	98.2	Very high	96.5	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-68.1	-37.2	177.5	-76	-44.5	0	0	0	112.9	A53 E57 L144 Q145 V146 K150 L151 E152 K153 K156 A160	A53-Y148 HydrophobicContact CB-CE1 4.16Å; E57-Y148 WeakPolarHBondContact CG-OH 3.33Å; E57-Y148 WeakPolarHBondContact OE1-CE2 3.29Å; E57-Y148 PolarHBondContact OE1-OH 3.3Å; L144-Y148 HydrophobicContact CB-CD2 4.14Å; L144-Y148 HydrophobicContact CB-CE2 4.06Å; L144-Y148 HydrophobicContact CD2-CE2 3.95Å; L144-Y148 HydrophobicContact CG-CE2 4.45Å; L144-Y148 WeakPolarHBondContact O-CB 3.21Å; L144-Y148 VanDerWaalsContact O-CD2 3.22Å; L144-Y148 WeakPolarHBondContact O-CD2 3.24Å; L144-Y148 PolarHBondContact O-N 3.46Å; Q145-Y148 PolarHBondContact O-N 2.91Å; V146-Y148 VanDerWaalsContact C-N 3.33Å; V146-Y148 PolarHBondContact O-N 3.13Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; Y148-L151 CarbonylContact O-C 3.56Å; Y148-L151 PolarHBondContact O-N 2.88Å; Y148-E152 PolarHBondContact O-N 3.27Å; Y148-K153 HydrophobicContact CD1-CB 4.04Å; Y148-K153 HydrophobicContact CD1-CD 3.94Å; Y148-K153 HydrophobicContact CE1-CD 4.21Å; Y148-K153 HydrophobicContact CG-CB 4.46Å; Y148-K153 PolarHBondContact O-N 3.17Å; Y148-K156 HydrophobicContact CD1-CB 3.98Å; Y148-K156 HydrophobicContact CD1-CD 4.1Å; Y148-K156 HydrophobicContact CD2-CB 3.53Å; Y148-K156 HydrophobicContact CE1-CB 4.23Å; Y148-K156 HydrophobicContact CE1-CD 3.65Å; Y148-K156 HydrophobicContact CE2-CB 3.8Å; Y148-K156 HydrophobicContact CE2-CD 4.16Å; Y148-K156 HydrophobicContact CG-CB 3.62Å; Y148-A160 HydrophobicContact CD2-CB 4.47Å
149	Y	95.8	Very high	96.6	Very high	77 Å²	77	42.8 Å²	42.8	30%	0.302	20%	0.198	S	C	.	.	H	α-helix	trans	-59.8	-44.9	172.1	171.9	-105.7	0	0	0	111.8	Q145 V146 L151 E152 L154 K180 Y181 M184	Q145-Y149 WeakPolarHBondContact O-CB 3.45Å; Q145-Y149 PolarHBondContact O-N 2.85Å; V146-Y149 WeakPolarHBondContact O-CB 3.22Å; V146-Y149 PolarHBondContact O-N 2.99Å; Y149-L151 PolarHBondContact O-N 3.17Å; Y149-E152 PolarHBondContact O-N 3.43Å; Y149-L154 HydrophobicContact CD2-CD2 3.92Å; Y149-L154 HydrophobicContact CE2-CD2 4.42Å; Y149-K180 PolarHBondContact OH-NZ 3.43Å; Y149-Y181 WeakPolarHBondContact CB-OH 3.49Å; Y149-Y181 AromaticContact CD2-CE1 3.68Å; Y149-Y181 HydrophobicContact CD2-CE1 3.68Å; Y149-Y181 HydrophobicContact CE2-CE1 4.49Å; Y149-Y181 HydrophobicContact CG-CE1 4.04Å; Y149-M184 HydrophobicContact CD2-CE 4.04Å; Y149-M184 HydrophobicContact CD2-SD 4.29Å; Y149-M184 HydrophobicContact CE2-CE 3.36Å; Y149-M184 HydrophobicContact CE2-SD 4.04Å
150	K	96.1	Very high	96.8	Very high	110 Å²	110	41.9 Å²	41.9	48%	0.478	19%	0.193	S	C	.	.	H	α-helix	trans	-65.7	-24.8	176.8	-67.6	-72.9	-174.7	172.3	0	113.6	W49 V146 T147 Y148 E152	W49-K150 HydrophobicContact CB-CB 4.35Å; W49-K150 HydrophobicContact CD2-CB 3.58Å; W49-K150 HydrophobicContact CD2-CG 3.75Å; W49-K150 HydrophobicContact CE3-CB 4.05Å; W49-K150 HydrophobicContact CE3-CG 3.94Å; W49-K150 HydrophobicContact CG-CB 3.69Å; W49-K150 HydrophobicContact CG-CG 4.39Å; W49-K150 HydrophobicContact CH2-CD 4.45Å; W49-K150 HydrophobicContact CH2-CG 4.05Å; W49-K150 HydrophobicContact CZ2-CD 3.95Å; W49-K150 HydrophobicContact CZ2-CG 3.86Å; W49-K150 HydrophobicContact CZ3-CG 4.08Å; V146-K150 HydrophobicContact CG1-CG 4.22Å; V146-K150 VanDerWaalsContact O-CG 3.28Å; V146-K150 WeakPolarHBondContact O-CG 3.48Å; V146-K150 PolarHBondContact O-N 3.5Å; T147-K150 PolarHBondContact O-N 2.86Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; K150-E152 VanDerWaalsContact C-N 3.35Å
151	L	97.4	Very high	96.7	Very high	52 Å²	52	41.8 Å²	41.8	27%	0.272	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.5	174.2	-66.3	172.8	0	0	0	113.3	W49 A50 A53 T147 Y148 Y149 K153	W49-L151 HydrophobicContact CB-CD1 4.45Å; W49-L151 HydrophobicContact CB-CD2 3.84Å; W49-L151 HydrophobicContact CB-CG 3.92Å; A50-L151 HydrophobicContact CB-CD2 4.33Å; A53-L151 HydrophobicContact CB-CD1 3.98Å; T147-L151 HydrophobicContact CG2-CD1 4.24Å; T147-L151 VanDerWaalsContact O-CG 3.32Å; T147-L151 WeakPolarHBondContact O-CG 3.46Å; T147-L151 PolarHBondContact O-N 2.83Å; T147-L151 VanDerWaalsContact O-N 3.09Å; Y148-L151 CarbonylContact O-C 3.56Å; Y148-L151 PolarHBondContact O-N 2.88Å; Y149-L151 PolarHBondContact O-N 3.17Å; L151-K153 HydrophobicContact CB-CD 4.41Å; L151-K153 HydrophobicContact CB-CG 4.3Å; L151-K153 PolarHBondContact O-N 3.09Å; L151-K153 VanDerWaalsContact O-N 3.14Å
152	E	96.1	Very high	96.6	Very high	170 Å²	170	44.2 Å²	44.2	79%	0.794	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	21.8	-177.8	-56.2	178.8	173.2	0	0	114	Y148 Y149 K150 L154	Y148-E152 PolarHBondContact O-N 3.27Å; Y149-E152 PolarHBondContact O-N 3.43Å; K150-E152 VanDerWaalsContact C-N 3.35Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 2.83Å
153	K	97.3	Very high	96.7	Very high	102 Å²	102	42.6 Å²	42.6	44%	0.443	20%	0.196	S	C	.	.			trans	-92.8	63.3	176.6	-65.2	-179.2	-176.1	173.2	0	110.4	Y148 L151 K155 K156 A157	Y148-K153 HydrophobicContact CD1-CB 4.04Å; Y148-K153 HydrophobicContact CD1-CD 3.94Å; Y148-K153 HydrophobicContact CE1-CD 4.21Å; Y148-K153 HydrophobicContact CG-CB 4.46Å; Y148-K153 PolarHBondContact O-N 3.17Å; L151-K153 HydrophobicContact CB-CD 4.41Å; L151-K153 HydrophobicContact CB-CG 4.3Å; L151-K153 PolarHBondContact O-N 3.09Å; L151-K153 VanDerWaalsContact O-N 3.14Å; K153-K155 PolarHBondContact O-N 3.06Å; K153-K156 HydrophobicContact CB-CB 4.3Å; K153-K156 HydrophobicContact CD-CD 4.4Å; K153-K156 PolarHBondContact O-N 3.3Å; K153-A157 PolarHBondContact O-N 3.5Å
154	L	96.3	Very high	96.7	Very high	43 Å²	43	42.4 Å²	42.4	23%	0.225	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-41.9	-168.1	-56	-176.4	0	0	0	114.1	Y149 E152 K156 A157 A158 M184 V187	Y149-L154 HydrophobicContact CD2-CD2 3.92Å; Y149-L154 HydrophobicContact CE2-CD2 4.42Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 2.83Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 2.96Å; L154-A157 WeakPolarHBondContact O-CB 3.42Å; L154-A157 PolarHBondContact O-N 3.33Å; L154-A157 VanDerWaalsContact O-N 3.11Å; L154-A158 PolarHBondContact O-N 3.27Å; L154-M184 HydrophobicContact CD1-CB 3.87Å; L154-M184 HydrophobicContact CD1-CG 4.45Å; L154-M184 HydrophobicContact CD1-SD 3.97Å; L154-M184 HydrophobicContact CD2-SD 3.68Å; L154-M184 HydrophobicContact CG-SD 4.36Å; L154-V187 HydrophobicContact CB-CG2 3.61Å; L154-V187 HydrophobicContact CD1-CG2 4.48Å
155	K	96.8	Very high	96.3	Very high	105 Å²	105	44.4 Å²	44.4	46%	0.457	20%	0.203	S	C	.	.	H	α-helix	trans	-58.9	-42	176.2	-61.6	-178.5	161.3	-104.3	0	112.9	K153 A158 S159 G186 D191	K153-K155 PolarHBondContact O-N 3.06Å; K155-A158 PolarHBondContact O-N 3.19Å; K155-S159 PolarHBondContact O-N 2.79Å; K155-S159 VanDerWaalsContact O-N 3.09Å; K155-G186 WeakPolarHBondContact CE-O 3.29Å; K155-D191 HydrophobicContact CB-CB 4.32Å; K155-D191 VanDerWaalsContact CD-OD1 3.3Å; K155-D191 WeakPolarHBondContact CD-OD1 3.4Å; K155-D191 HydrophobicContact CG-CB 4.45Å; K155-D191 VanDerWaalsContact CG-OD1 3.31Å; K155-D191 WeakPolarHBondContact CG-OD1 3.32Å; K155-D191 IonicContact NZ-OD1 3.29Å; K155-D191 PolarHBondContact NZ-OD1 2.99Å; K155-D191 IonicContact NZ-OD2 3.36Å; K155-D191 PolarHBondContact NZ-OD2 3.35Å
156	K	97.1	Very high	96	Very high	108 Å²	108	46.3 Å²	46.3	47%	0.47	22%	0.215	S	C	.	.	H	α-helix	trans	-71	-33.9	176.6	-65.6	-164.5	173.3	-160.4	0	111.9	Y148 K153 L154 A160	Y148-K156 HydrophobicContact CD1-CB 3.98Å; Y148-K156 HydrophobicContact CD1-CD 4.1Å; Y148-K156 HydrophobicContact CD2-CB 3.53Å; Y148-K156 HydrophobicContact CE1-CB 4.23Å; Y148-K156 HydrophobicContact CE1-CD 3.65Å; Y148-K156 HydrophobicContact CE2-CB 3.8Å; Y148-K156 HydrophobicContact CE2-CD 4.16Å; Y148-K156 HydrophobicContact CG-CB 3.62Å; K153-K156 HydrophobicContact CB-CB 4.3Å; K153-K156 HydrophobicContact CD-CD 4.4Å; K153-K156 PolarHBondContact O-N 3.3Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-K156 PolarHBondContact O-N 2.96Å; K156-A160 WeakPolarHBondContact O-CB 3.37Å; K156-A160 PolarHBondContact O-N 3.1Å
157	A	97.5	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-45	174.3	0	0	0	0	0	111.2	Q145 K153 L154 A160 A161 Y181	Q145-A157 WeakPolarHBondContact CB-O 3.43Å; Q145-A157 WeakPolarHBondContact O-CB 3.36Å; K153-A157 PolarHBondContact O-N 3.5Å; L154-A157 WeakPolarHBondContact O-CB 3.42Å; L154-A157 PolarHBondContact O-N 3.33Å; L154-A157 VanDerWaalsContact O-N 3.11Å; A157-A160 PolarHBondContact O-N 3.35Å; A157-A161 VanDerWaalsContact O-CB 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.5Å; A157-A161 PolarHBondContact O-N 3.39Å; A157-Y181 HydrophobicContact CB-CD1 4.45Å; A157-Y181 HydrophobicContact CB-CE1 4Å; A157-Y181 HydrophobicContact CB-CE2 4.11Å
158	A	96.8	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-50.9	175.7	0	0	0	0	0	112.1	L154 K155 A160 A161 H162 V187 D191 F192	L154-A158 PolarHBondContact O-N 3.27Å; K155-A158 PolarHBondContact O-N 3.19Å; A158-A160 PolarHBondContact O-N 3.03Å; A158-A161 PolarHBondContact O-N 3.02Å; A158-H162 WeakPolarHBondContact O-CB 3.39Å; A158-H162 PolarHBondContact O-N 3.26Å; A158-V187 HydrophobicContact CB-CG1 4Å; A158-D191 HydrophobicContact CB-CB 4.33Å; A158-F192 HydrophobicContact CB-CD1 4.02Å; A158-F192 HydrophobicContact CB-CE1 3.73Å; A158-F192 HydrophobicContact CB-CE2 4.35Å; A158-F192 HydrophobicContact CB-CG 4.44Å; A158-F192 HydrophobicContact CB-CZ 3.92Å
159	S	97.8	Very high	94	Very high	18 Å²	18	49.2 Å²	49.2	13%	0.126	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-43	178	172	0	0	0	0	112.7	K155 H162 T163 D191 Q193 R195	K155-S159 PolarHBondContact O-N 2.79Å; K155-S159 VanDerWaalsContact O-N 3.09Å; S159-H162 PolarHBondContact O-N 2.6Å; S159-T163 WeakPolarHBondContact O-CB 2.88Å; S159-T163 PolarHBondContact O-N 3.04Å; S159-T163 PolarHBondContact O-OG1 3.02Å; S159-D191 WeakPolarHBondContact CA-O 3.07Å; S159-D191 WeakPolarHBondContact CB-O 3.26Å; S159-D191 PolarHBondContact N-O 2.61Å; S159-D191 VanDerWaalsContact N-O 3.16Å; S159-Q193 PolarHBondContact OG-O 2.85Å; S159-R195 WeakPolarHBondContact OG-CD 3.22Å; S159-R195 WeakPolarHBondContact OG-CG 3.17Å
160	A	97.9	Very high	92.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.2	0	0	0	0	0	111.8	Y141 L144 Q145 Y148 K156 A157 A158 H162 T163 Y164	Y141-A160 WeakPolarHBondContact CB-O 3.13Å; Y141-A160 HydrophobicContact CD1-CB 4.12Å; L144-A160 HydrophobicContact CB-CB 4.09Å; Q145-A160 HydrophobicContact CB-CB 3.88Å; Y148-A160 HydrophobicContact CD2-CB 4.47Å; K156-A160 WeakPolarHBondContact O-CB 3.37Å; K156-A160 PolarHBondContact O-N 3.1Å; A157-A160 PolarHBondContact O-N 3.35Å; A158-A160 PolarHBondContact O-N 3.03Å; A160-H162 VanDerWaalsContact C-N 3.35Å; A160-H162 PolarHBondContact O-N 3.28Å; A160-T163 PolarHBondContact O-N 2.6Å; A160-Y164 PolarHBondContact O-N 3.25Å; A160-Y164 VanDerWaalsContact O-N 3.08Å
161	A	95.9	Very high	91.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176.7	0	0	0	0	0	111.8	Q145 A157 A158 Y164 F165 M174 I178 Y181	Q145-A161 HydrophobicContact CB-CB 3.93Å; Q145-A161 HydrophobicContact CG-CB 4.2Å; A157-A161 VanDerWaalsContact O-CB 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.5Å; A157-A161 PolarHBondContact O-N 3.39Å; A158-A161 PolarHBondContact O-N 3.02Å; A161-Y164 PolarHBondContact O-N 2.81Å; A161-F165 VanDerWaalsContact O-CB 3.3Å; A161-F165 WeakPolarHBondContact O-CB 3.37Å; A161-F165 PolarHBondContact O-N 3.42Å; A161-M174 VanDerWaalsContact CA-SD 3.54Å; A161-M174 HydrophobicContact CB-CG 4.46Å; A161-M174 HydrophobicContact CB-SD 3.48Å; A161-M174 WeakPolarHBondContact CB-SD 2.91Å; A161-M174 WeakPolarHBondContact O-CG 3.48Å; A161-I178 HydrophobicContact CB-CD1 4.5Å; A161-I178 HydrophobicContact CB-CG1 3.76Å; A161-Y181 HydrophobicContact CB-CD2 3.95Å; A161-Y181 HydrophobicContact CB-CE2 3.77Å
162	H	95.3	Very high	90.4	Very high	52 Å²	52	46.6 Å²	46.6	24%	0.241	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-47.4	176.1	-170.9	74.3	0	0	0	111.9	A158 S159 A160 Y164 F165 V166 F192 D194	A158-H162 WeakPolarHBondContact O-CB 3.39Å; A158-H162 PolarHBondContact O-N 3.26Å; S159-H162 PolarHBondContact O-N 2.6Å; A160-H162 VanDerWaalsContact C-N 3.35Å; A160-H162 PolarHBondContact O-N 3.28Å; H162-Y164 VanDerWaalsContact C-N 3.31Å; H162-Y164 PolarHBondContact O-N 3.35Å; H162-F165 PolarHBondContact O-N 3.4Å; H162-F165 VanDerWaalsContact O-N 3.08Å; H162-V166 WeakPolarHBondContact O-CG2 3.48Å; H162-V166 PolarHBondContact O-N 2.87Å; H162-F192 HydrophobicContact CB-CB 4.12Å; H162-F192 HydrophobicContact CB-CD1 4.2Å; H162-F192 PolarHBondContact CD2-O 3.28Å; H162-F192 VanDerWaalsContact CD2-O 3.3Å; H162-D194 PolarHBondContact CD2-N 3.43Å
163	T	96.9	Very high	89.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-44.4	178.5	-58.3	0	0	0	0	112	R138 Y141 S159 A160 Q193 D194 R195 E196	R138-T163 WeakPolarHBondContact CD-O 3.4Å; R138-T163 PolarHBondContact NH1-O 2.98Å; Y141-T163 HydrophobicContact CD1-CG2 3.77Å; Y141-T163 HydrophobicContact CD2-CG2 3.6Å; Y141-T163 HydrophobicContact CE1-CG2 3.75Å; Y141-T163 HydrophobicContact CE2-CG2 3.6Å; Y141-T163 HydrophobicContact CG-CG2 3.67Å; S159-T163 WeakPolarHBondContact O-CB 2.88Å; S159-T163 PolarHBondContact O-N 3.04Å; S159-T163 PolarHBondContact O-OG1 3.02Å; A160-T163 PolarHBondContact O-N 2.6Å; T163-Q193 PolarHBondContact OG1-O 3.13Å; T163-D194 WeakPolarHBondContact CG2-OD1 3.43Å; T163-R195 HydrophobicContact CG2-CB 4.23Å; T163-R195 PolarHBondContact OG1-N 3.13Å; T163-E196 HydrophobicContact CG2-CG 4.25Å
164	Y	95.6	Very high	88.6	Confident	15 Å²	15	38.3 Å²	38.3	6%	0.059	20%	0.198	C	C	.	.	H	α-helix	trans	-68.2	-42.7	175.4	179.6	-104.5	0	0	0	112.5	R138 N139 N142 A160 A161 H162 V166 A167 N168 H171 M174	R138-Y164 WeakPolarHBondContact O-CD2 3.42Å; N139-Y164 HydrophobicContact CB-CE2 4.37Å; N142-Y164 HydrophobicContact CB-CD1 4.25Å; N142-Y164 HydrophobicContact CB-CD2 3.8Å; N142-Y164 HydrophobicContact CB-CE1 4.24Å; N142-Y164 HydrophobicContact CB-CE2 3.81Å; N142-Y164 HydrophobicContact CB-CG 4.01Å; A160-Y164 PolarHBondContact O-N 3.25Å; A160-Y164 VanDerWaalsContact O-N 3.08Å; A161-Y164 PolarHBondContact O-N 2.81Å; H162-Y164 VanDerWaalsContact C-N 3.31Å; H162-Y164 PolarHBondContact O-N 3.35Å; Y164-V166 VanDerWaalsContact C-N 3.33Å; Y164-V166 PolarHBondContact O-N 3.02Å; Y164-A167 PolarHBondContact O-N 2.79Å; Y164-N168 HydrophobicContact CD1-CB 4.4Å; Y164-N168 WeakPolarHBondContact CD2-ND2 3.45Å; Y164-N168 HydrophobicContact CE1-CB 3.99Å; Y164-N168 HydrophobicContact CE2-CB 4.48Å; Y164-N168 WeakPolarHBondContact CE2-ND2 3.48Å; Y164-N168 PolarHBondContact O-N 3.03Å; Y164-N168 PolarHBondContact O-ND2 3.25Å; Y164-H171 HydrophobicContact CE1-CB 4.06Å; Y164-H171 AromaticContact CE1-CD2 3.91Å; Y164-H171 AromaticContact CE1-CG 3.68Å; Y164-H171 AromaticContact CE1-ND1 3.79Å; Y164-H171 PolarHBondContact OH-CD2 2.94Å; Y164-M174 HydrophobicContact CD1-CB 4.01Å; Y164-M174 HydrophobicContact CD1-CE 3.28Å; Y164-M174 HydrophobicContact CD1-CG 3.85Å; Y164-M174 HydrophobicContact CD1-SD 4.37Å; Y164-M174 HydrophobicContact CE1-CB 4.29Å; Y164-M174 HydrophobicContact CE1-CE 3.95Å; Y164-M174 HydrophobicContact CG-CE 3.9Å
165	F	90.6	Very high	87.6	Confident	42 Å²	42	39.7 Å²	39.7	18%	0.184	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-35	-176.8	-177.1	-103.8	0	0	0	112.9	A161 H162 A167 N168 P169 M174 R175 I178	A161-F165 VanDerWaalsContact O-CB 3.3Å; A161-F165 WeakPolarHBondContact O-CB 3.37Å; A161-F165 PolarHBondContact O-N 3.42Å; H162-F165 PolarHBondContact O-N 3.4Å; H162-F165 VanDerWaalsContact O-N 3.08Å; F165-A167 VanDerWaalsContact C-N 3.26Å; F165-A167 PolarHBondContact O-N 3.22Å; F165-N168 CarbonylContact O-C 3.5Å; F165-N168 PolarHBondContact O-N 3.04Å; F165-P169 WeakPolarHBondContact CE2-O 3.43Å; F165-P169 WeakPolarHBondContact CZ-O 2.97Å; F165-P169 WeakPolarHBondContact O-CA 2.95Å; F165-P169 VanDerWaalsContact O-N 3.07Å; F165-M174 HydrophobicContact CB-CG 3.91Å; F165-M174 HydrophobicContact CD2-CB 4.31Å; F165-M174 HydrophobicContact CD2-CG 4.38Å; F165-R175 HydrophobicContact CD2-CB 4.48Å; F165-R175 HydrophobicContact CE2-CB 3.84Å; F165-R175 HydrophobicContact CE2-CG 4.41Å; F165-R175 HydrophobicContact CZ-CB 4.46Å; F165-I178 HydrophobicContact CB-CD1 3.48Å; F165-I178 VanDerWaalsContact CB-CD1 3.48Å; F165-I178 HydrophobicContact CD1-CD1 3.96Å; F165-I178 HydrophobicContact CD2-CD1 4.3Å; F165-I178 HydrophobicContact CG-CD1 3.64Å
166	V	89.9	Confident	86.3	Confident	42 Å²	42	35 Å²	35	26%	0.255	18%	0.179	S	C	.	.	H	α-helix	trans	-57.4	-40.4	174.3	168.7	0	0	0	0	111.4	H162 Y164 D194 P286	H162-V166 WeakPolarHBondContact O-CG2 3.48Å; H162-V166 PolarHBondContact O-N 2.87Å; Y164-V166 VanDerWaalsContact C-N 3.33Å; Y164-V166 PolarHBondContact O-N 3.02Å; V166-D194 HydrophobicContact CG2-CB 4.31Å; V166-P286 HydrophobicContact CG1-CB 3.84Å; V166-P286 CarbonylContact O-C 3.56Å
167	A	88.3	Confident	85.5	Confident	15 Å²	15	31.7 Å²	31.7	12%	0.124	17%	0.167	C	C	.	.	H	α-helix	trans	-83.8	-10.8	175.5	0	0	0	0	0	114.1	R138 Y164 F165 G287	R138-A167 HydrophobicContact CB-CB 4.18Å; R138-A167 HydrophobicContact CG-CB 3.82Å; Y164-A167 PolarHBondContact O-N 2.79Å; F165-A167 VanDerWaalsContact C-N 3.26Å; F165-A167 PolarHBondContact O-N 3.22Å; A167-G287 WeakPolarHBondContact O-CA 3.34Å
168	N	82.6	Confident	84.7	Confident	28 Å²	28	32.2 Å²	32.2	15%	0.15	17%	0.17	C	C	.	.			trans	-141.4	62.5	-175.1	-57	-93.9	0	0	0	111.2	T137 Y164 F165 S170 H171	T137-N168 PolarHBondContact O-ND2 3.02Å; Y164-N168 HydrophobicContact CD1-CB 4.4Å; Y164-N168 WeakPolarHBondContact CD2-ND2 3.45Å; Y164-N168 HydrophobicContact CE1-CB 3.99Å; Y164-N168 HydrophobicContact CE2-CB 4.48Å; Y164-N168 WeakPolarHBondContact CE2-ND2 3.48Å; Y164-N168 PolarHBondContact O-N 3.03Å; Y164-N168 PolarHBondContact O-ND2 3.25Å; F165-N168 CarbonylContact O-C 3.5Å; F165-N168 PolarHBondContact O-N 3.04Å; N168-S170 PolarHBondContact O-N 3.38Å; N168-S170 VanDerWaalsContact O-N 3.13Å; N168-H171 HydrophobicContact CB-CB 4.01Å; N168-H171 VanDerWaalsContact O-CB 3.26Å; N168-H171 WeakPolarHBondContact O-CB 3.45Å; N168-H171 PolarHBondContact O-N 2.89Å
169	P	77	Confident	83.9	Confident	54 Å²	54	34.6 Å²	34.6	35%	0.351	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.3	-170.1	25.1	-35.2	0	0	0	114.2	F165 R175	F165-P169 WeakPolarHBondContact CE2-O 3.43Å; F165-P169 WeakPolarHBondContact CZ-O 2.97Å; F165-P169 WeakPolarHBondContact O-CA 2.95Å; F165-P169 VanDerWaalsContact O-N 3.07Å; P169-R175 PolarHBondContact O-NH2 3.18Å; P169-R175 VanDerWaalsContact O-NH2 3.13Å
170	S	71.4	Confident	83	Confident	65 Å²	65	37.6 Å²	37.6	46%	0.455	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.9	175.2	59.6	0	0	0	0	113.6	N168 L172	N168-S170 PolarHBondContact O-N 3.38Å; N168-S170 VanDerWaalsContact O-N 3.13Å; S170-L172 PolarHBondContact O-N 3.2Å
171	H	71.9	Confident	82.4	Confident	51 Å²	51	37.8 Å²	37.8	24%	0.236	19%	0.192	C	C	.	.			trans	-73.6	93.9	-175.5	-165.9	-89.2	0	0	0	111.7	Y164 N168 E173 M174 R175	Y164-H171 HydrophobicContact CE1-CB 4.06Å; Y164-H171 AromaticContact CE1-CD2 3.91Å; Y164-H171 AromaticContact CE1-CG 3.68Å; Y164-H171 AromaticContact CE1-ND1 3.79Å; Y164-H171 PolarHBondContact OH-CD2 2.94Å; N168-H171 HydrophobicContact CB-CB 4.01Å; N168-H171 VanDerWaalsContact O-CB 3.26Å; N168-H171 WeakPolarHBondContact O-CB 3.45Å; N168-H171 PolarHBondContact O-N 2.89Å; H171-E173 VanDerWaalsContact C-N 3.3Å; H171-E173 PolarHBondContact O-N 2.95Å; H171-M174 HydrophobicContact CB-CB 4.25Å; H171-M174 WeakPolarHBondContact ND1-CB 2.98Å; H171-M174 PolarHBondContact ND1-N 2.68Å; H171-M174 VanDerWaalsContact ND1-N 3.11Å; H171-M174 PolarHBondContact O-N 3.06Å; H171-R175 PolarHBondContact O-N 2.81Å; H171-R175 VanDerWaalsContact O-N 3.09Å
172	L	70.2	Confident	82	Confident	69 Å²	69	42 Å²	42	36%	0.361	21%	0.208	S	C	.	.	H	α-helix	trans	-57	-39.5	-173.9	-63.2	175.8	0	0	0	113.3	S170 M174 N176 Y483	S170-L172 PolarHBondContact O-N 3.2Å; L172-M174 VanDerWaalsContact C-N 3.29Å; L172-M174 PolarHBondContact O-N 2.8Å; L172-N176 PolarHBondContact O-N 3.45Å; L172-N176 PolarHBondContact O-ND2 3.12Å; L172-Y483 HydrophobicContact CD1-CD1 3.72Å; L172-Y483 HydrophobicContact CD1-CE1 3.69Å
173	E	71.8	Confident	81.5	Confident	98 Å²	98	44 Å²	44	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-63.2	-39	178.4	-68.6	-178.5	-169.7	0	0	111.9	H171 N177	H171-E173 VanDerWaalsContact C-N 3.3Å; H171-E173 PolarHBondContact O-N 2.95Å; E173-N177 VanDerWaalsContact O-CG 3.25Å; E173-N177 PolarHBondContact O-N 3.29Å; E173-N177 VanDerWaalsContact O-N 3.11Å; E173-N177 PolarHBondContact O-ND2 2.86Å
174	M	82.1	Confident	81.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-72.1	-43.6	-178.6	-169.2	60.5	69.8	0	0	111.4	N142 Q145 A161 Y164 F165 H171 L172 N176 N177 I178	N142-M174 HydrophobicContact CB-CE 4.24Å; N142-M174 VanDerWaalsContact OD1-CE 3.24Å; N142-M174 WeakPolarHBondContact OD1-CE 3.3Å; Q145-M174 HydrophobicContact CG-CE 3.6Å; Q145-M174 HydrophobicContact CG-SD 3.9Å; A161-M174 VanDerWaalsContact CA-SD 3.54Å; A161-M174 HydrophobicContact CB-CG 4.46Å; A161-M174 HydrophobicContact CB-SD 3.48Å; A161-M174 WeakPolarHBondContact CB-SD 2.91Å; A161-M174 WeakPolarHBondContact O-CG 3.48Å; Y164-M174 HydrophobicContact CD1-CB 4.01Å; Y164-M174 HydrophobicContact CD1-CE 3.28Å; Y164-M174 HydrophobicContact CD1-CG 3.85Å; Y164-M174 HydrophobicContact CD1-SD 4.37Å; Y164-M174 HydrophobicContact CE1-CB 4.29Å; Y164-M174 HydrophobicContact CE1-CE 3.95Å; Y164-M174 HydrophobicContact CG-CE 3.9Å; F165-M174 HydrophobicContact CB-CG 3.91Å; F165-M174 HydrophobicContact CD2-CB 4.31Å; F165-M174 HydrophobicContact CD2-CG 4.38Å; H171-M174 HydrophobicContact CB-CB 4.25Å; H171-M174 WeakPolarHBondContact ND1-CB 2.98Å; H171-M174 PolarHBondContact ND1-N 2.68Å; H171-M174 VanDerWaalsContact ND1-N 3.11Å; H171-M174 PolarHBondContact O-N 3.06Å; L172-M174 VanDerWaalsContact C-N 3.29Å; L172-M174 PolarHBondContact O-N 2.8Å; M174-N176 PolarHBondContact O-N 2.57Å; M174-N177 WeakPolarHBondContact O-CB 3.28Å; M174-N177 PolarHBondContact O-N 2.88Å; M174-N177 HydrophobicContact SD-CB 4.25Å; M174-I178 HydrophobicContact CG-CD1 4.26Å; M174-I178 HydrophobicContact CG-CG1 4.49Å; M174-I178 PolarHBondContact O-N 3.47Å
175	R	76.4	Confident	80.9	Confident	72 Å²	72	54.1 Å²	54.1	27%	0.272	26%	0.262	S	S	.	.	H	α-helix	trans	-49.8	-46.2	176.4	-178	176	-68.6	-177.7	-1.3	111.3	F165 P169 H171 I178 E179	F165-R175 HydrophobicContact CD2-CB 4.48Å; F165-R175 HydrophobicContact CE2-CB 3.84Å; F165-R175 HydrophobicContact CE2-CG 4.41Å; F165-R175 HydrophobicContact CZ-CB 4.46Å; P169-R175 PolarHBondContact O-NH2 3.18Å; P169-R175 VanDerWaalsContact O-NH2 3.13Å; H171-R175 PolarHBondContact O-N 2.81Å; H171-R175 VanDerWaalsContact O-N 3.09Å; R175-I178 WeakPolarHBondContact O-CB 3.32Å; R175-I178 PolarHBondContact O-N 2.58Å; R175-E179 PolarHBondContact O-N 2.91Å; R175-E179 VanDerWaalsContact O-N 3.13Å
176	N	70.2	Confident	80.8	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.027	28%	0.279	C	S	.	.	H	α-helix	trans	-75.5	-29.9	180	-72.7	-82.9	0	0	0	114.2	L172 M174 I178 E179 K180 R486 S488 P489	L172-N176 PolarHBondContact O-N 3.45Å; L172-N176 PolarHBondContact O-ND2 3.12Å; M174-N176 PolarHBondContact O-N 2.57Å; N176-I178 VanDerWaalsContact C-N 3.3Å; N176-E179 PolarHBondContact O-N 3.27Å; N176-K180 WeakPolarHBondContact O-CB 3.24Å; N176-K180 PolarHBondContact O-N 3Å; N176-R486 VanDerWaalsContact CB-NH1 3.34Å; N176-R486 PolarHBondContact ND2-NE 2.7Å; N176-R486 VanDerWaalsContact ND2-NE 3.13Å; N176-R486 PolarHBondContact ND2-NH1 2.7Å; N176-R486 PolarHBondContact OD1-NH2 3.18Å; N176-S488 PolarHBondContact OD1-O 3.03Å; N176-P489 PolarHBondContact ND2-O 3.37Å; N176-P489 PolarHBondContact OD1-O 3.31Å
177	N	78.9	Confident	80.9	Confident	40 Å²	40	53.3 Å²	53.3	21%	0.214	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-39.5	172.2	-69.7	-17.5	0	0	0	110.4	Q145 E173 M174 K180 Y181	Q145-N177 PolarHBondContact NE2-ND2 2.71Å; E173-N177 VanDerWaalsContact O-CG 3.25Å; E173-N177 PolarHBondContact O-N 3.29Å; E173-N177 VanDerWaalsContact O-N 3.11Å; E173-N177 PolarHBondContact O-ND2 2.86Å; M174-N177 WeakPolarHBondContact O-CB 3.28Å; M174-N177 PolarHBondContact O-N 2.88Å; M174-N177 HydrophobicContact SD-CB 4.25Å; N177-K180 WeakPolarHBondContact O-CB 3.39Å; N177-K180 PolarHBondContact O-N 3.31Å; N177-Y181 HydrophobicContact CB-CE2 4.07Å; N177-Y181 WeakPolarHBondContact O-CD2 3.48Å; N177-Y181 VanDerWaalsContact O-CG 3.24Å; N177-Y181 PolarHBondContact O-N 3.11Å
178	I	80.7	Confident	81.2	Confident	11 Å²	11	56 Å²	56	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-51.1	172.8	-71.7	173.5	0	0	0	110.8	A161 F165 M174 R175 N176 K180 Y181 R182 F192	A161-I178 HydrophobicContact CB-CD1 4.5Å; A161-I178 HydrophobicContact CB-CG1 3.76Å; F165-I178 HydrophobicContact CB-CD1 3.48Å; F165-I178 VanDerWaalsContact CB-CD1 3.48Å; F165-I178 HydrophobicContact CD1-CD1 3.96Å; F165-I178 HydrophobicContact CD2-CD1 4.3Å; F165-I178 HydrophobicContact CG-CD1 3.64Å; M174-I178 HydrophobicContact CG-CD1 4.26Å; M174-I178 HydrophobicContact CG-CG1 4.49Å; M174-I178 PolarHBondContact O-N 3.47Å; R175-I178 WeakPolarHBondContact O-CB 3.32Å; R175-I178 PolarHBondContact O-N 2.58Å; N176-I178 VanDerWaalsContact C-N 3.3Å; I178-K180 PolarHBondContact O-N 3.31Å; I178-Y181 PolarHBondContact O-N 3.38Å; I178-Y181 VanDerWaalsContact O-N 3.08Å; I178-R182 PolarHBondContact O-N 2.84Å; I178-F192 HydrophobicContact CB-CE1 4.22Å; I178-F192 HydrophobicContact CG1-CE1 4.39Å; I178-F192 HydrophobicContact CG2-CD1 4Å; I178-F192 HydrophobicContact CG2-CE1 3.64Å; I178-F192 HydrophobicContact CG2-CZ 4.41Å
179	E	79.6	Confident	81.4	Confident	49 Å²	49	59.8 Å²	59.8	23%	0.229	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-36.7	176.7	-69.1	-51.4	141.7	0	0	112.8	R175 N176 R182 R183	R175-E179 PolarHBondContact O-N 2.91Å; R175-E179 VanDerWaalsContact O-N 3.13Å; N176-E179 PolarHBondContact O-N 3.27Å; E179-R182 IonicContact OE1-CZ 3.18Å; E179-R182 IonicContact OE1-NH1 3.43Å; E179-R182 PolarHBondContact OE1-NH1 3.26Å; E179-R182 IonicContact OE2-NH1 3.63Å; E179-R182 PolarHBondContact OE2-NH1 3.44Å; E179-R183 WeakPolarHBondContact O-CG 3.29Å; E179-R183 PolarHBondContact O-NE 3.27Å
180	K	79.3	Confident	82.2	Confident	81 Å²	81	63.2 Å²	63.2	35%	0.352	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-45.8	174.8	-176.6	-169.6	178.7	-161.5	0	111	Y149 N176 N177 I178 R182 R183 M184	Y149-K180 PolarHBondContact OH-NZ 3.43Å; N176-K180 WeakPolarHBondContact O-CB 3.24Å; N176-K180 PolarHBondContact O-N 3Å; N177-K180 WeakPolarHBondContact O-CB 3.39Å; N177-K180 PolarHBondContact O-N 3.31Å; I178-K180 PolarHBondContact O-N 3.31Å; K180-R182 VanDerWaalsContact C-N 3.33Å; K180-R182 PolarHBondContact O-N 3.03Å; K180-R183 PolarHBondContact O-N 3.48Å; K180-M184 HydrophobicContact CD-CE 3.96Å; K180-M184 VanDerWaalsContact CE-CE 3.41Å; K180-M184 HydrophobicContact CG-CE 3.71Å; K180-M184 WeakPolarHBondContact O-CG 3.49Å
181	Y	85.7	Confident	83.3	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-37.4	178.5	-63.6	-39	0	0	0	112.4	Q145 Y149 A157 A161 N177 I178 R183 M184 V187	Q145-Y181 HydrophobicContact CB-CE2 4.44Å; Q145-Y181 PolarHBondContact O-OH 2.81Å; Q145-Y181 PolarHBondContact OE1-OH 3.41Å; Y149-Y181 WeakPolarHBondContact CB-OH 3.49Å; Y149-Y181 AromaticContact CD2-CE1 3.68Å; Y149-Y181 HydrophobicContact CD2-CE1 3.68Å; Y149-Y181 HydrophobicContact CE2-CE1 4.49Å; Y149-Y181 HydrophobicContact CG-CE1 4.04Å; A157-Y181 HydrophobicContact CB-CD1 4.45Å; A157-Y181 HydrophobicContact CB-CE1 4Å; A157-Y181 HydrophobicContact CB-CE2 4.11Å; A161-Y181 HydrophobicContact CB-CD2 3.95Å; A161-Y181 HydrophobicContact CB-CE2 3.77Å; N177-Y181 HydrophobicContact CB-CE2 4.07Å; N177-Y181 WeakPolarHBondContact O-CD2 3.48Å; N177-Y181 VanDerWaalsContact O-CG 3.24Å; N177-Y181 PolarHBondContact O-N 3.11Å; I178-Y181 PolarHBondContact O-N 3.38Å; I178-Y181 VanDerWaalsContact O-N 3.08Å; Y181-R183 PolarHBondContact O-N 3.17Å; Y181-M184 HydrophobicContact CD1-CE 4.23Å; Y181-M184 HydrophobicContact CD1-SD 3.82Å; Y181-M184 HydrophobicContact CE1-SD 4.43Å; Y181-M184 WeakPolarHBondContact O-CB 3.43Å; Y181-M184 PolarHBondContact O-N 3.39Å; Y181-V187 WeakPolarHBondContact O-CB 3.32Å; Y181-V187 WeakPolarHBondContact O-CG1 3.26Å
182	R	86.9	Confident	84.3	Confident	88 Å²	88	59.7 Å²	59.7	33%	0.332	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-29.6	178.1	-176.8	177.9	-75.4	124	-3.5	113.1	I178 E179 K180 E189 F192	I178-R182 PolarHBondContact O-N 2.84Å; E179-R182 IonicContact OE1-CZ 3.18Å; E179-R182 IonicContact OE1-NH1 3.43Å; E179-R182 PolarHBondContact OE1-NH1 3.26Å; E179-R182 IonicContact OE2-NH1 3.63Å; E179-R182 PolarHBondContact OE2-NH1 3.44Å; K180-R182 VanDerWaalsContact C-N 3.33Å; K180-R182 PolarHBondContact O-N 3.03Å; R182-E189 VanDerWaalsContact CD-OE1 3.25Å; R182-E189 WeakPolarHBondContact CD-OE1 3.46Å; R182-E189 WeakPolarHBondContact CG-OE1 3.41Å; R182-E189 IonicContact CZ-OE1 2.91Å; R182-E189 IonicContact CZ-OE2 3.81Å; R182-E189 IonicContact NE-OE1 2.67Å; R182-E189 PolarHBondContact NE-OE1 3.49Å; R182-E189 IonicContact NE-OE2 3.67Å; R182-E189 IonicContact NH2-OE1 2.87Å; R182-E189 IonicContact NH2-OE2 3.3Å; R182-E189 PolarHBondContact NH2-OE2 2.77Å; R182-F192 HydrophobicContact CB-CE2 4.28Å; R182-F192 HydrophobicContact CB-CZ 4.02Å
183	R	86.3	Confident	85.4	Confident	95 Å²	95	62.3 Å²	62.3	36%	0.358	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8	-179.2	-62.9	165.7	-165.2	-132.5	-16	113.8	E179 K180 Y181 P492 H493	E179-R183 WeakPolarHBondContact O-CG 3.29Å; E179-R183 PolarHBondContact O-NE 3.27Å; K180-R183 PolarHBondContact O-N 3.48Å; Y181-R183 PolarHBondContact O-N 3.17Å; R183-P492 VanDerWaalsContact NH1-CB 3.32Å; R183-P492 VanDerWaalsContact NH1-CG 3.32Å; R183-P492 VanDerWaalsContact NH2-CD 3.27Å; R183-H493 PolarHBondContact NH1-CD2 3.03Å; R183-H493 PolarHBondContact NH1-CE1 2.91Å; R183-H493 PolarHBondContact NH1-ND1 2.71Å; R183-H493 PolarHBondContact NH1-NE2 3.46Å; R183-H493 PolarHBondContact NH2-CD2 3.43Å; R183-H493 PolarHBondContact NH2-NE2 2.83Å
184	M	87.8	Confident	86.5	Confident	36 Å²	36	58.8 Å²	58.8	18%	0.177	29%	0.29	C	S	.	.	S	Bend	trans	-80.4	139.2	-177.1	-68.5	179.4	176.3	0	0	111	Y149 L154 K180 Y181 G186 V187	Y149-M184 HydrophobicContact CD2-CE 4.04Å; Y149-M184 HydrophobicContact CD2-SD 4.29Å; Y149-M184 HydrophobicContact CE2-CE 3.36Å; Y149-M184 HydrophobicContact CE2-SD 4.04Å; L154-M184 HydrophobicContact CD1-CB 3.87Å; L154-M184 HydrophobicContact CD1-CG 4.45Å; L154-M184 HydrophobicContact CD1-SD 3.97Å; L154-M184 HydrophobicContact CD2-SD 3.68Å; L154-M184 HydrophobicContact CG-SD 4.36Å; K180-M184 HydrophobicContact CD-CE 3.96Å; K180-M184 VanDerWaalsContact CE-CE 3.41Å; K180-M184 HydrophobicContact CG-CE 3.71Å; K180-M184 WeakPolarHBondContact O-CG 3.49Å; Y181-M184 HydrophobicContact CD1-CE 4.23Å; Y181-M184 HydrophobicContact CD1-SD 3.82Å; Y181-M184 HydrophobicContact CE1-SD 4.43Å; Y181-M184 WeakPolarHBondContact O-CB 3.43Å; Y181-M184 PolarHBondContact O-N 3.39Å; M184-G186 PolarHBondContact O-N 3.17Å; M184-V187 HydrophobicContact CB-CG2 4.17Å; M184-V187 PolarHBondContact O-N 2.85Å
185	E	90.3	Very high	87.2	Confident	191 Å²	191	63.2 Å²	63.2	89%	0.893	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	130.1	176	-168.1	176.4	-178.6	0	0	110.7
186	G	88.4	Confident	88	Confident	52 Å²	52	62.4 Å²	62.4	54%	0.536	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	0.7	180	0	0	0	0	0	115.7	K155 M184	K155-G186 WeakPolarHBondContact CE-O 3.29Å; M184-G186 PolarHBondContact O-N 3.17Å
187	V	94	Very high	89.1	Confident	16 Å²	16	65.6 Å²	65.6	10%	0.097	33%	0.325	C	S	.	.			trans	-99	135.9	168.7	-177.2	0	0	0	0	109.6	L154 A158 Y181 M184 D191 F192	L154-V187 HydrophobicContact CB-CG2 3.61Å; L154-V187 HydrophobicContact CD1-CG2 4.48Å; A158-V187 HydrophobicContact CB-CG1 4Å; Y181-V187 WeakPolarHBondContact O-CB 3.32Å; Y181-V187 WeakPolarHBondContact O-CG1 3.26Å; M184-V187 HydrophobicContact CB-CG2 4.17Å; M184-V187 PolarHBondContact O-N 2.85Å; V187-D191 HydrophobicContact CG1-CB 4.24Å; V187-F192 HydrophobicContact CG1-CE2 3.8Å; V187-F192 HydrophobicContact CG1-CZ 4.07Å
188	T	93.6	Very high	89.8	Confident	70 Å²	70	66.2 Å²	66.2	43%	0.429	33%	0.327	S	S	.	.			trans	-124.9	164.5	179.3	57.2	0	0	0	0	110.1	D190 D191 F192	T188-D190 PolarHBondContact O-N 2.82Å; T188-D191 PolarHBondContact N-OD2 2.7Å; T188-D191 WeakPolarHBondContact O-CB 3.48Å; T188-D191 PolarHBondContact O-N 3.35Å; T188-D191 PolarHBondContact OG1-OD2 3.17Å; T188-F192 WeakPolarHBondContact O-CD2 3.48Å
189	E	87.8	Confident	90.6	Very high	109 Å²	109	71.5 Å²	71.5	51%	0.509	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-56.4	-33.5	175.9	-69.1	-55.9	129.8	0	0	112	R182 D191 F192	R182-E189 VanDerWaalsContact CD-OE1 3.25Å; R182-E189 WeakPolarHBondContact CD-OE1 3.46Å; R182-E189 WeakPolarHBondContact CG-OE1 3.41Å; R182-E189 IonicContact CZ-OE1 2.91Å; R182-E189 IonicContact CZ-OE2 3.81Å; R182-E189 IonicContact NE-OE1 2.67Å; R182-E189 PolarHBondContact NE-OE1 3.49Å; R182-E189 IonicContact NE-OE2 3.67Å; R182-E189 IonicContact NH2-OE1 2.87Å; R182-E189 IonicContact NH2-OE2 3.3Å; R182-E189 PolarHBondContact NH2-OE2 2.77Å; E189-D191 PolarHBondContact O-N 3.02Å; E189-D191 VanDerWaalsContact O-N 3.11Å; E189-F192 PolarHBondContact O-N 3.39Å; E189-F192 VanDerWaalsContact O-N 3.08Å
190	D	92.9	Very high	91.3	Very high	125 Å²	125	69.2 Å²	69.2	67%	0.668	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-64.2	-15.6	177.2	-64.8	-20.5	0	0	0	113.6	T188 F192 Q193	T188-D190 PolarHBondContact O-N 2.82Å; D190-F192 VanDerWaalsContact C-N 3.33Å; D190-Q193 VanDerWaalsContact O-CG 3.31Å; D190-Q193 WeakPolarHBondContact O-CG 3.43Å; D190-Q193 PolarHBondContact O-NE2 3.36Å
191	D	94.2	Very high	92.1	Very high	22 Å²	22	66.1 Å²	66.1	12%	0.118	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-83.3	-9.3	177.3	-60.1	-66.6	0	0	0	112.5	K155 A158 S159 V187 T188 E189 Q193	K155-D191 HydrophobicContact CB-CB 4.32Å; K155-D191 VanDerWaalsContact CD-OD1 3.3Å; K155-D191 WeakPolarHBondContact CD-OD1 3.4Å; K155-D191 HydrophobicContact CG-CB 4.45Å; K155-D191 VanDerWaalsContact CG-OD1 3.31Å; K155-D191 WeakPolarHBondContact CG-OD1 3.32Å; K155-D191 IonicContact NZ-OD1 3.29Å; K155-D191 PolarHBondContact NZ-OD1 2.99Å; K155-D191 IonicContact NZ-OD2 3.36Å; K155-D191 PolarHBondContact NZ-OD2 3.35Å; A158-D191 HydrophobicContact CB-CB 4.33Å; S159-D191 WeakPolarHBondContact CA-O 3.07Å; S159-D191 WeakPolarHBondContact CB-O 3.26Å; S159-D191 PolarHBondContact N-O 2.61Å; S159-D191 VanDerWaalsContact N-O 3.16Å; V187-D191 HydrophobicContact CG1-CB 4.24Å; T188-D191 PolarHBondContact N-OD2 2.7Å; T188-D191 WeakPolarHBondContact O-CB 3.48Å; T188-D191 PolarHBondContact O-N 3.35Å; T188-D191 PolarHBondContact OG1-OD2 3.17Å; E189-D191 PolarHBondContact O-N 3.02Å; E189-D191 VanDerWaalsContact O-N 3.11Å; D191-Q193 PolarHBondContact O-N 3.25Å
192	F	94.1	Very high	92.5	Very high	21 Å²	21	69.6 Å²	69.6	9%	0.092	35%	0.346	C	S	.	.			trans	-91.6	67.8	176.6	-64.8	-88.2	0	0	0	111.2	A158 H162 I178 R182 V187 T188 E189 D190	A158-F192 HydrophobicContact CB-CD1 4.02Å; A158-F192 HydrophobicContact CB-CE1 3.73Å; A158-F192 HydrophobicContact CB-CE2 4.35Å; A158-F192 HydrophobicContact CB-CG 4.44Å; A158-F192 HydrophobicContact CB-CZ 3.92Å; H162-F192 HydrophobicContact CB-CB 4.12Å; H162-F192 HydrophobicContact CB-CD1 4.2Å; H162-F192 PolarHBondContact CD2-O 3.28Å; H162-F192 VanDerWaalsContact CD2-O 3.3Å; I178-F192 HydrophobicContact CB-CE1 4.22Å; I178-F192 HydrophobicContact CG1-CE1 4.39Å; I178-F192 HydrophobicContact CG2-CD1 4Å; I178-F192 HydrophobicContact CG2-CE1 3.64Å; I178-F192 HydrophobicContact CG2-CZ 4.41Å; R182-F192 HydrophobicContact CB-CE2 4.28Å; R182-F192 HydrophobicContact CB-CZ 4.02Å; V187-F192 HydrophobicContact CG1-CE2 3.8Å; V187-F192 HydrophobicContact CG1-CZ 4.07Å; T188-F192 WeakPolarHBondContact O-CD2 3.48Å; E189-F192 PolarHBondContact O-N 3.39Å; E189-F192 VanDerWaalsContact O-N 3.08Å; D190-F192 VanDerWaalsContact C-N 3.33Å
193	Q	93.1	Very high	93	Very high	123 Å²	123	67.2 Å²	67.2	58%	0.575	34%	0.34	S	S	*	.			trans	-103.9	135.4	179.8	-64.1	177.2	16	0	0	111.5	S159 T163 D190 D191 R195	S159-Q193 PolarHBondContact OG-O 2.85Å; T163-Q193 PolarHBondContact OG1-O 3.13Å; D190-Q193 VanDerWaalsContact O-CG 3.31Å; D190-Q193 WeakPolarHBondContact O-CG 3.43Å; D190-Q193 PolarHBondContact O-NE2 3.36Å; D191-Q193 PolarHBondContact O-N 3.25Å; Q193-R195 PolarHBondContact O-N 3.12Å
194	D	94.9	Very high	93.4	Very high	25 Å²	25	63.2 Å²	63.2	13%	0.134	33%	0.325	C	S	.	.			trans	-76.3	113.3	171.4	179.7	11.8	0	0	0	109.6	R138 H162 T163 V166 E196 T197	R138-D194 IonicContact CZ-OD1 3.6Å; R138-D194 IonicContact CZ-OD2 3.52Å; R138-D194 IonicContact NH1-OD1 2.91Å; R138-D194 PolarHBondContact NH1-OD1 3.42Å; R138-D194 IonicContact NH1-OD2 2.71Å; R138-D194 PolarHBondContact NH1-OD2 2.97Å; R138-D194 IonicContact NH2-OD2 3.44Å; R138-D194 PolarHBondContact NH2-OD2 3.49Å; H162-D194 PolarHBondContact CD2-N 3.43Å; T163-D194 WeakPolarHBondContact CG2-OD1 3.43Å; V166-D194 HydrophobicContact CG2-CB 4.31Å; D194-E196 VanDerWaalsContact C-N 3.25Å; D194-E196 PolarHBondContact O-N 3.32Å; D194-E196 PolarHBondContact OD1-N 3.37Å; D194-T197 WeakPolarHBondContact CB-OG1 3.36Å; D194-T197 PolarHBondContact O-N 3.27Å; D194-T197 PolarHBondContact O-OG1 3.02Å
195	R	95.6	Very high	93.7	Very high	93 Å²	93	63.3 Å²	63.3	35%	0.351	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.4	-178.5	-67.2	173.6	54.7	-177.6	-2.5	113.2	E57 Y141 S159 T163 Q193	E57-R195 IonicContact OE1-CZ 3.62Å; E57-R195 IonicContact OE1-NH1 2.73Å; E57-R195 PolarHBondContact OE1-NH1 3.41Å; E57-R195 IonicContact OE1-NH2 3.38Å; E57-R195 PolarHBondContact OE1-NH2 3.43Å; E57-R195 IonicContact OE2-CZ 3.52Å; E57-R195 IonicContact OE2-NH1 3.76Å; E57-R195 IonicContact OE2-NH2 3.92Å; E57-R195 PolarHBondContact OE2-NH2 3.45Å; Y141-R195 HydrophobicContact CE1-CB 4.11Å; S159-R195 WeakPolarHBondContact OG-CD 3.22Å; S159-R195 WeakPolarHBondContact OG-CG 3.17Å; T163-R195 HydrophobicContact CG2-CB 4.23Å; T163-R195 PolarHBondContact OG1-N 3.13Å; Q193-R195 PolarHBondContact O-N 3.12Å
196	E	94.8	Very high	93.9	Very high	55 Å²	55	55.4 Å²	55.4	26%	0.257	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	29.6	177.5	-60	-162.6	179	0	0	111.5	R138 Y141 T163 D194 E198	R138-E196 IonicContact NE-OE2 2.8Å; R138-E196 PolarHBondContact NH2-O 3.04Å; R138-E196 VanDerWaalsContact NH2-O 3.13Å; Y141-E196 HydrophobicContact CE2-CG 4.04Å; Y141-E196 WeakPolarHBondContact CE2-OE1 3.43Å; Y141-E196 WeakPolarHBondContact OH-CG 3.3Å; Y141-E196 PolarHBondContact OH-OE1 3.22Å; T163-E196 HydrophobicContact CG2-CG 4.25Å; D194-E196 VanDerWaalsContact C-N 3.25Å; D194-E196 PolarHBondContact O-N 3.32Å; D194-E196 PolarHBondContact OD1-N 3.37Å; E196-E198 PolarHBondContact O-N 3.4Å
197	T	93.3	Very high	94.1	Very high	71 Å²	71	52.9 Å²	52.9	44%	0.436	27%	0.268	S	S	.	.			trans	-54.5	124.4	177.9	-60.7	0	0	0	0	110.9	D194 V202	D194-T197 WeakPolarHBondContact CB-OG1 3.36Å; D194-T197 PolarHBondContact O-N 3.27Å; D194-T197 PolarHBondContact O-OG1 3.02Å; T197-V202 HydrophobicContact CG2-CG2 3.32Å
198	E	93.4	Very high	93.9	Very high	54 Å²	54	54.6 Å²	54.6	25%	0.252	28%	0.275	S	S	.	.			trans	-92.4	123.2	176.9	-63	-175.5	105.9	0	0	110.6	E196 H200 W201 V202 P286	E196-E198 PolarHBondContact O-N 3.4Å; E198-H200 PolarHBondContact O-N 2.87Å; E198-H200 IonicContact OE1-CE1 3.52Å; E198-W201 PolarHBondContact O-N 3.38Å; E198-V202 PolarHBondContact O-N 3.27Å; E198-P286 WeakPolarHBondContact OE2-CG 3.49Å
199	K	95.8	Very high	93.6	Very high	122 Å²	122	57.4 Å²	57.4	53%	0.53	28%	0.283	S	S	.	.	H	α-helix	trans	-65.5	-36	-169.9	-66.8	-179.6	-178	174.3	0	113.6	W201 V202 L203 E229	K199-W201 VanDerWaalsContact C-N 3.31Å; K199-W201 PolarHBondContact O-N 2.83Å; K199-V202 PolarHBondContact O-N 3.42Å; K199-L203 WeakPolarHBondContact O-CG 3.43Å; K199-L203 PolarHBondContact O-N 2.96Å; K199-E229 HydrophobicContact CB-CG 3.82Å
200	H	96.1	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-38.5	-179.4	60.2	-72.9	0	0	0	111.1	E198 L203 Y204 E229 V282 F295	E198-H200 PolarHBondContact O-N 2.87Å; E198-H200 IonicContact OE1-CE1 3.52Å; H200-L203 PolarHBondContact O-N 3.11Å; H200-Y204 WeakPolarHBondContact O-CB 3.42Å; H200-Y204 PolarHBondContact O-N 3.21Å; H200-E229 HydrophobicContact CB-CB 4.28Å; H200-E229 HydrophobicContact CB-CG 3.87Å; H200-V282 PolarHBondContact NE2-O 2.94Å; H200-F295 AromaticContact CD2-CE1 3.95Å
201	W	94.8	Very high	93.4	Very high	16 Å²	16	50.2 Å²	50.2	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-39.5	174.1	-72.7	124.2	0	0	0	113.1	E198 K199 L203 Y204 D205 A283 R285 F295	E198-W201 PolarHBondContact O-N 3.38Å; K199-W201 VanDerWaalsContact C-N 3.31Å; K199-W201 PolarHBondContact O-N 2.83Å; W201-L203 VanDerWaalsContact C-N 3.3Å; W201-L203 PolarHBondContact O-N 3.08Å; W201-Y204 HydrophobicContact CE3-CD1 4.4Å; W201-Y204 HydrophobicContact CE3-CG 4.21Å; W201-Y204 HydrophobicContact CZ3-CD1 4.32Å; W201-Y204 HydrophobicContact CZ3-CD2 4.46Å; W201-Y204 HydrophobicContact CZ3-CG 4.25Å; W201-Y204 WeakPolarHBondContact O-CB 3.46Å; W201-Y204 PolarHBondContact O-N 3.39Å; W201-D205 PolarHBondContact O-N 2.93Å; W201-A283 WeakPolarHBondContact CZ2-O 3.42Å; W201-R285 HydrophobicContact CD2-CB 4.44Å; W201-R285 HydrophobicContact CD2-CG 4.09Å; W201-R285 HydrophobicContact CE3-CG 4.34Å; W201-R285 HydrophobicContact CG-CG 4.48Å; W201-R285 HydrophobicContact CH2-CB 4.2Å; W201-R285 HydrophobicContact CZ2-CB 3.88Å; W201-R285 HydrophobicContact CZ2-CG 4.42Å; W201-F295 HydrophobicContact CD2-CZ 4.49Å; W201-F295 HydrophobicContact CE3-CE2 4.32Å; W201-F295 HydrophobicContact CE3-CZ 4.15Å; W201-F295 HydrophobicContact CH2-CD2 4.09Å; W201-F295 HydrophobicContact CH2-CE1 4.42Å; W201-F295 AromaticContact CH2-CE2 3.35Å; W201-F295 HydrophobicContact CH2-CE2 3.35Å; W201-F295 AromaticContact CH2-CZ 3.54Å; W201-F295 HydrophobicContact CH2-CZ 3.54Å; W201-F295 HydrophobicContact CZ2-CE1 4.48Å; W201-F295 HydrophobicContact CZ2-CE2 4.17Å; W201-F295 AromaticContact CZ2-CZ 3.92Å; W201-F295 HydrophobicContact CZ2-CZ 3.92Å; W201-F295 HydrophobicContact CZ3-CD2 4.5Å; W201-F295 AromaticContact CZ3-CE2 3.45Å; W201-F295 HydrophobicContact CZ3-CE2 3.45Å; W201-F295 VanDerWaalsContact CZ3-CE2 3.45Å; W201-F295 AromaticContact CZ3-CZ 3.67Å; W201-F295 HydrophobicContact CZ3-CZ 3.67Å
202	V	94.8	Very high	92.7	Very high	77 Å²	77	53.3 Å²	53.3	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-40.9	174	177	0	0	0	0	111.4	T197 E198 K199 A206	T197-V202 HydrophobicContact CG2-CG2 3.32Å; E198-V202 PolarHBondContact O-N 3.27Å; K199-V202 PolarHBondContact O-N 3.42Å; V202-A206 WeakPolarHBondContact O-CB 3.4Å; V202-A206 PolarHBondContact O-N 3.07Å; V202-A206 VanDerWaalsContact O-N 3.1Å
203	L	97.4	Very high	92.5	Very high	39 Å²	39	56 Å²	56	20%	0.204	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-39.3	177	-70.1	167.1	0	0	0	111.6	K199 H200 W201 A206 A207 K222 A225 C226 E229	K199-L203 WeakPolarHBondContact O-CG 3.43Å; K199-L203 PolarHBondContact O-N 2.96Å; H200-L203 PolarHBondContact O-N 3.11Å; W201-L203 VanDerWaalsContact C-N 3.3Å; W201-L203 PolarHBondContact O-N 3.08Å; L203-A206 PolarHBondContact O-N 3.16Å; L203-A207 VanDerWaalsContact O-CB 3.3Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 2.92Å; L203-K222 HydrophobicContact CD2-CD 4.45Å; L203-A225 HydrophobicContact CD1-CB 4.08Å; L203-A225 HydrophobicContact CD2-CB 3.94Å; L203-C226 HydrophobicContact CB-CB 3.89Å; L203-E229 HydrophobicContact CD1-CB 3.89Å; L203-E229 HydrophobicContact CD1-CG 4.32Å
204	Y	95.3	Very high	92.4	Very high	11 Å²	11	53.5 Å²	53.5	4%	0.043	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-53.5	175.2	-169.7	-80	0	0	0	111.1	H200 W201 A206 A207 M208 W223 Q292 F295 Q299	H200-Y204 WeakPolarHBondContact O-CB 3.42Å; H200-Y204 PolarHBondContact O-N 3.21Å; W201-Y204 HydrophobicContact CE3-CD1 4.4Å; W201-Y204 HydrophobicContact CE3-CG 4.21Å; W201-Y204 HydrophobicContact CZ3-CD1 4.32Å; W201-Y204 HydrophobicContact CZ3-CD2 4.46Å; W201-Y204 HydrophobicContact CZ3-CG 4.25Å; W201-Y204 WeakPolarHBondContact O-CB 3.46Å; W201-Y204 PolarHBondContact O-N 3.39Å; Y204-A206 VanDerWaalsContact C-N 3.3Å; Y204-A206 PolarHBondContact O-N 3.35Å; Y204-A207 PolarHBondContact O-N 3.11Å; Y204-A207 VanDerWaalsContact O-N 3.13Å; Y204-M208 HydrophobicContact CD1-CG 3.98Å; Y204-M208 HydrophobicContact CE1-CG 3.7Å; Y204-M208 HydrophobicContact CE1-SD 4.38Å; Y204-M208 WeakPolarHBondContact O-CG 3.47Å; Y204-M208 PolarHBondContact O-N 2.56Å; Y204-W223 HydrophobicContact CD1-CH2 4.48Å; Y204-W223 AromaticContact CD2-CH2 3.8Å; Y204-W223 HydrophobicContact CD2-CH2 3.8Å; Y204-W223 AromaticContact CD2-CZ3 3.51Å; Y204-W223 HydrophobicContact CD2-CZ3 3.51Å; Y204-W223 HydrophobicContact CE1-CH2 4.31Å; Y204-W223 AromaticContact CE2-CH2 3.6Å; Y204-W223 HydrophobicContact CE2-CH2 3.6Å; Y204-W223 AromaticContact CE2-CZ3 3.63Å; Y204-W223 HydrophobicContact CE2-CZ3 3.63Å; Y204-W223 HydrophobicContact CG-CH2 4.23Å; Y204-W223 HydrophobicContact CG-CZ3 4.14Å; Y204-W223 AromaticContact CZ-CH2 3.86Å; Y204-Q292 PolarHBondContact OH-NE2 2.86Å; Y204-F295 AromaticContact CD2-CE2 3.6Å; Y204-F295 HydrophobicContact CD2-CE2 3.6Å; Y204-F295 HydrophobicContact CD2-CZ 4.05Å; Y204-F295 HydrophobicContact CE2-CD2 4.24Å; Y204-F295 AromaticContact CE2-CE2 3.58Å; Y204-F295 HydrophobicContact CE2-CE2 3.58Å; Y204-F295 HydrophobicContact CE2-CZ 4.45Å; Y204-F295 HydrophobicContact CG-CE2 4.49Å; Y204-Q299 HydrophobicContact CD2-CG 4.27Å; Y204-Q299 HydrophobicContact CE2-CG 4.22Å
205	D	92.9	Very high	92.4	Very high	38 Å²	38	55.4 Å²	55.4	20%	0.203	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-41	179.7	-70.9	-22.1	0	0	0	111.3	W201 Q209 R285	W201-D205 PolarHBondContact O-N 2.93Å; D205-Q209 VanDerWaalsContact O-CG 3.25Å; D205-Q209 WeakPolarHBondContact O-CG 3.44Å; D205-Q209 PolarHBondContact O-N 3Å; D205-Q209 VanDerWaalsContact O-N 3.09Å; D205-R285 IonicContact OD1-NH2 3.85Å; D205-R285 PolarHBondContact OD1-NH2 3.33Å; D205-R285 IonicContact OD2-CZ 2.79Å; D205-R285 IonicContact OD2-NH2 2.84Å; D205-R285 PolarHBondContact OD2-NH2 3.04Å
206	A	94.9	Very high	92.3	Very high	24 Å²	24	53.6 Å²	53.6	20%	0.198	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-40.1	176	0	0	0	0	0	112.6	V202 L203 Y204 Q209 H210 K222	V202-A206 WeakPolarHBondContact O-CB 3.4Å; V202-A206 PolarHBondContact O-N 3.07Å; V202-A206 VanDerWaalsContact O-N 3.1Å; L203-A206 PolarHBondContact O-N 3.16Å; Y204-A206 VanDerWaalsContact C-N 3.3Å; Y204-A206 PolarHBondContact O-N 3.35Å; A206-Q209 PolarHBondContact O-N 2.84Å; A206-H210 PolarHBondContact O-CD2 3.29Å; A206-H210 PolarHBondContact O-N 3.32Å; A206-H210 VanDerWaalsContact O-N 3.08Å; A206-K222 HydrophobicContact CB-CG 4.33Å
207	A	93.3	Very high	92.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-45.6	178.4	0	0	0	0	0	111.4	L203 Y204 Q209 H210 E211 K222 W223	L203-A207 VanDerWaalsContact O-CB 3.3Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 2.92Å; Y204-A207 PolarHBondContact O-N 3.11Å; Y204-A207 VanDerWaalsContact O-N 3.13Å; A207-Q209 VanDerWaalsContact C-N 3.33Å; A207-Q209 PolarHBondContact O-N 3.43Å; A207-H210 PolarHBondContact O-N 2.98Å; A207-E211 WeakPolarHBondContact O-CB 3.34Å; A207-E211 PolarHBondContact O-N 3.28Å; A207-K222 HydrophobicContact CB-CB 3.64Å; A207-W223 HydrophobicContact CB-CD2 3.38Å; A207-W223 VanDerWaalsContact CB-CE2 3.43Å; A207-W223 HydrophobicContact CB-CE3 3.8Å; A207-W223 HydrophobicContact CB-CG 3.72Å; A207-W223 HydrophobicContact CB-CH2 4.26Å; A207-W223 HydrophobicContact CB-CZ2 3.92Å; A207-W223 HydrophobicContact CB-CZ3 4.18Å
208	M	88.4	Confident	92.7	Very high	51 Å²	51	55.7 Å²	55.7	25%	0.251	30%	0.304	S	S	.	.	H	α-helix	trans	-57.8	-42	174	-73.1	-65.1	-66.3	0	0	112.4	Y204 E211 A212 W223	Y204-M208 HydrophobicContact CD1-CG 3.98Å; Y204-M208 HydrophobicContact CE1-CG 3.7Å; Y204-M208 HydrophobicContact CE1-SD 4.38Å; Y204-M208 WeakPolarHBondContact O-CG 3.47Å; Y204-M208 PolarHBondContact O-N 2.56Å; M208-E211 PolarHBondContact O-N 3.38Å; M208-A212 WeakPolarHBondContact O-CB 3.4Å; M208-A212 PolarHBondContact O-N 3.3Å; M208-W223 HydrophobicContact CG-CH2 3.99Å; M208-W223 HydrophobicContact CG-CZ2 3.95Å; M208-W223 HydrophobicContact SD-CH2 3.92Å; M208-W223 HydrophobicContact SD-CZ2 3.61Å
209	Q	88	Confident	92.7	Very high	129 Å²	129	53.1 Å²	53.1	60%	0.603	29%	0.292	S	S	*	.	H	α-helix	trans	-64.9	-42.6	177.2	-74.2	172.6	13	0	0	112.9	D205 A206 A207 A212 S213	D205-Q209 VanDerWaalsContact O-CG 3.25Å; D205-Q209 WeakPolarHBondContact O-CG 3.44Å; D205-Q209 PolarHBondContact O-N 3Å; D205-Q209 VanDerWaalsContact O-N 3.09Å; A206-Q209 PolarHBondContact O-N 2.84Å; A207-Q209 VanDerWaalsContact C-N 3.33Å; A207-Q209 PolarHBondContact O-N 3.43Å; Q209-A212 PolarHBondContact O-N 3.01Å; Q209-S213 PolarHBondContact O-N 2.78Å; Q209-S213 VanDerWaalsContact O-N 3.09Å; Q209-S213 PolarHBondContact O-OG 3.34Å
210	H	91.5	Very high	92.8	Very high	48 Å²	48	47.6 Å²	47.6	22%	0.222	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-38.1	176.3	-77.3	-65.2	0	0	0	111.9	A206 A207 S213 S214 D215 Q218 A219	A206-H210 PolarHBondContact O-CD2 3.29Å; A206-H210 PolarHBondContact O-N 3.32Å; A206-H210 VanDerWaalsContact O-N 3.08Å; A207-H210 PolarHBondContact O-N 2.98Å; H210-S213 WeakPolarHBondContact CA-OG 3.42Å; H210-S213 CarbonylContact O-C 3.54Å; H210-S213 PolarHBondContact O-N 2.93Å; H210-S213 PolarHBondContact O-OG 3.01Å; H210-S214 PolarHBondContact O-N 3.26Å; H210-S214 VanDerWaalsContact O-N 3.15Å; H210-D215 HydrophobicContact CB-CB 4.41Å; H210-D215 IonicContact CE1-OD2 3.91Å; H210-D215 IonicContact ND1-OD2 3.34Å; H210-D215 PolarHBondContact ND1-OD2 3.26Å; H210-D215 PolarHBondContact O-N 2.98Å; H210-Q218 HydrophobicContact CB-CB 4.23Å; H210-Q218 WeakPolarHBondContact ND1-CB 3.49Å; H210-A219 HydrophobicContact CB-CB 3.89Å
211	E	84.2	Confident	92.9	Very high	35 Å²	35	51.9 Å²	51.9	16%	0.164	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-45.9	174.4	179	159.1	178.6	0	0	112	A207 M208 S213 S214 W216 A219 W223 H302	A207-E211 WeakPolarHBondContact O-CB 3.34Å; A207-E211 PolarHBondContact O-N 3.28Å; M208-E211 PolarHBondContact O-N 3.38Å; E211-S213 PolarHBondContact O-N 2.93Å; E211-S214 PolarHBondContact O-N 3.26Å; E211-W216 HydrophobicContact CG-CH2 4.26Å; E211-W216 HydrophobicContact CG-CZ3 3.84Å; E211-A219 HydrophobicContact CB-CB 4.32Å; E211-W223 PolarHBondContact OE2-NE1 3.47Å; E211-H302 VanDerWaalsContact CD-ND1 3.33Å; E211-H302 IonicContact OE1-CE1 3.92Å; E211-H302 IonicContact OE1-ND1 3.96Å; E211-H302 PolarHBondContact OE1-ND1 3.05Å; E211-H302 IonicContact OE2-CE1 3.55Å; E211-H302 IonicContact OE2-CG 3.75Å; E211-H302 IonicContact OE2-ND1 3.13Å; E211-H302 PolarHBondContact OE2-ND1 2.99Å
212	A	80.6	Confident	93.1	Very high	88 Å²	88	53.4 Å²	53.4	73%	0.727	30%	0.296	S	S	*	.	H	α-helix	trans	-62	-30.4	176.1	0	0	0	0	0	113.1	M208 Q209 S214	M208-A212 WeakPolarHBondContact O-CB 3.4Å; M208-A212 PolarHBondContact O-N 3.3Å; Q209-A212 PolarHBondContact O-N 3.01Å; A212-S214 VanDerWaalsContact C-N 3.32Å
213	S	89.6	Confident	93.2	Very high	76 Å²	76	49.8 Å²	49.8	53%	0.531	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	3.8	174.8	54.4	0	0	0	0	114	Q209 H210 E211 D215	Q209-S213 PolarHBondContact O-N 2.78Å; Q209-S213 VanDerWaalsContact O-N 3.09Å; Q209-S213 PolarHBondContact O-OG 3.34Å; H210-S213 WeakPolarHBondContact CA-OG 3.42Å; H210-S213 CarbonylContact O-C 3.54Å; H210-S213 PolarHBondContact O-N 2.93Å; H210-S213 PolarHBondContact O-OG 3.01Å; E211-S213 PolarHBondContact O-N 2.93Å; S213-D215 PolarHBondContact O-N 2.89Å
214	S	91	Very high	93.3	Very high	72 Å²	72	53.1 Å²	53.1	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	24	-176.5	-58.5	0	0	0	0	114.3	H210 E211 A212 W216	H210-S214 PolarHBondContact O-N 3.26Å; H210-S214 VanDerWaalsContact O-N 3.15Å; E211-S214 PolarHBondContact O-N 3.26Å; A212-S214 VanDerWaalsContact C-N 3.32Å; S214-W216 VanDerWaalsContact C-N 3.28Å; S214-W216 PolarHBondContact O-N 3.31Å; S214-W216 VanDerWaalsContact O-N 3.1Å; S214-W216 PolarHBondContact O-NE1 2.72Å
215	D	95.1	Very high	93.4	Very high	64 Å²	64	54.3 Å²	54.3	34%	0.342	30%	0.295	S	S	.	.			trans	-83.7	74.5	171.2	-173.5	-6.1	0	0	0	109.5	H210 S213 L217 Q218 A219	H210-D215 HydrophobicContact CB-CB 4.41Å; H210-D215 IonicContact CE1-OD2 3.91Å; H210-D215 IonicContact ND1-OD2 3.34Å; H210-D215 PolarHBondContact ND1-OD2 3.26Å; H210-D215 PolarHBondContact O-N 2.98Å; S213-D215 PolarHBondContact O-N 2.89Å; D215-L217 VanDerWaalsContact C-N 3.26Å; D215-L217 PolarHBondContact O-N 3.22Å; D215-Q218 PolarHBondContact O-N 2.84Å; D215-Q218 PolarHBondContact OD1-N 3.41Å; D215-Q218 WeakPolarHBondContact OD2-CG 3.35Å; D215-A219 VanDerWaalsContact O-CB 3.32Å; D215-A219 WeakPolarHBondContact O-CB 3.21Å; D215-A219 PolarHBondContact O-N 2.98Å
216	W	94.2	Very high	93.7	Very high	56 Å²	56	52.5 Å²	52.5	21%	0.212	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-29.8	-170.4	-56.7	111.1	0	0	0	114	E211 S214 A220 A306 K309	E211-W216 HydrophobicContact CG-CH2 4.26Å; E211-W216 HydrophobicContact CG-CZ3 3.84Å; S214-W216 VanDerWaalsContact C-N 3.28Å; S214-W216 PolarHBondContact O-N 3.31Å; S214-W216 VanDerWaalsContact O-N 3.1Å; S214-W216 PolarHBondContact O-NE1 2.72Å; W216-A220 VanDerWaalsContact O-CB 3.32Å; W216-A220 WeakPolarHBondContact O-CB 3.2Å; W216-A220 PolarHBondContact O-N 2.85Å; W216-A306 HydrophobicContact CE3-CB 4.45Å; W216-K309 HydrophobicContact CB-CB 4.01Å; W216-K309 HydrophobicContact CD2-CB 3.62Å; W216-K309 HydrophobicContact CD2-CD 3.53Å; W216-K309 HydrophobicContact CD2-CG 4.24Å; W216-K309 VanDerWaalsContact CE2-CD 3.48Å; W216-K309 HydrophobicContact CE3-CB 4.02Å; W216-K309 HydrophobicContact CE3-CD 3.54Å; W216-K309 HydrophobicContact CE3-CG 4.42Å; W216-K309 HydrophobicContact CG-CB 3.56Å; W216-K309 HydrophobicContact CG-CD 4.35Å; W216-K309 HydrophobicContact CH2-CD 3.58Å; W216-K309 HydrophobicContact CZ2-CD 3.53Å; W216-K309 HydrophobicContact CZ3-CD 3.55Å
217	L	97.4	Very high	93.8	Very high	114 Å²	114	51.7 Å²	51.7	60%	0.597	28%	0.278	S	S	*	.	H	α-helix	trans	-70.2	-48.1	179.9	-169.9	150.3	0	0	0	110.4	D215 A220 E221	D215-L217 VanDerWaalsContact C-N 3.26Å; D215-L217 PolarHBondContact O-N 3.22Å; L217-A220 PolarHBondContact O-N 3.24Å; L217-E221 PolarHBondContact O-N 2.99Å
218	Q	97.6	Very high	94	Very high	56 Å²	56	56.5 Å²	56.5	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-69	-37.7	175.4	-64.2	-58.6	104.6	0	0	111.7	H210 D215 A220 E221 K222	H210-Q218 HydrophobicContact CB-CB 4.23Å; H210-Q218 WeakPolarHBondContact ND1-CB 3.49Å; D215-Q218 PolarHBondContact O-N 2.84Å; D215-Q218 PolarHBondContact OD1-N 3.41Å; D215-Q218 WeakPolarHBondContact OD2-CG 3.35Å; Q218-A220 PolarHBondContact O-N 3.36Å; Q218-E221 PolarHBondContact O-N 2.8Å; Q218-K222 WeakPolarHBondContact O-CG 3.48Å; Q218-K222 PolarHBondContact O-N 3.18Å
219	A	93.6	Very high	94.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-47.3	175.2	0	0	0	0	0	111.3	H210 E211 D215 E221 K222 W223 A306	H210-A219 HydrophobicContact CB-CB 3.89Å; E211-A219 HydrophobicContact CB-CB 4.32Å; D215-A219 VanDerWaalsContact O-CB 3.32Å; D215-A219 WeakPolarHBondContact O-CB 3.21Å; D215-A219 PolarHBondContact O-N 2.98Å; A219-E221 VanDerWaalsContact C-N 3.34Å; A219-E221 PolarHBondContact O-N 3.38Å; A219-K222 PolarHBondContact O-N 3.02Å; A219-W223 WeakPolarHBondContact O-CB 3.36Å; A219-W223 VanDerWaalsContact O-CD1 3.25Å; A219-W223 PolarHBondContact O-N 2.73Å; A219-A306 HydrophobicContact CB-CB 4.13Å
220	A	97.9	Very high	95	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-39.3	177.4	0	0	0	0	0	112.5	W216 L217 Q218 R224 L303 A306 Q307	W216-A220 VanDerWaalsContact O-CB 3.32Å; W216-A220 WeakPolarHBondContact O-CB 3.2Å; W216-A220 PolarHBondContact O-N 2.85Å; L217-A220 PolarHBondContact O-N 3.24Å; Q218-A220 PolarHBondContact O-N 3.36Å; A220-R224 VanDerWaalsContact O-CB 3.27Å; A220-R224 WeakPolarHBondContact O-CB 3.48Å; A220-R224 PolarHBondContact O-N 3.18Å; A220-L303 WeakPolarHBondContact O-CD1 3.35Å; A220-A306 HydrophobicContact CB-CB 3.97Å; A220-Q307 HydrophobicContact CB-CG 4.04Å
221	E	98.2	Very high	95.3	Very high	90 Å²	90	48.7 Å²	48.7	42%	0.421	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-47.6	175.1	-169.3	-157.2	119.4	0	0	111.6	L217 Q218 A219 R224 A225	L217-E221 PolarHBondContact O-N 2.99Å; Q218-E221 PolarHBondContact O-N 2.8Å; A219-E221 VanDerWaalsContact C-N 3.34Å; A219-E221 PolarHBondContact O-N 3.38Å; E221-R224 PolarHBondContact O-N 2.71Å; E221-A225 WeakPolarHBondContact O-CB 3.25Å; E221-A225 PolarHBondContact O-N 3.33Å
222	K	98.4	Very high	95.9	Very high	48 Å²	48	52.1 Å²	52.1	21%	0.209	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-41.5	-178.6	-63.9	-45.4	176.3	-155.7	0	112.4	L203 A206 A207 Q218 A219 R224 A225 C226	L203-K222 HydrophobicContact CD2-CD 4.45Å; A206-K222 HydrophobicContact CB-CG 4.33Å; A207-K222 HydrophobicContact CB-CB 3.64Å; Q218-K222 WeakPolarHBondContact O-CG 3.48Å; Q218-K222 PolarHBondContact O-N 3.18Å; A219-K222 PolarHBondContact O-N 3.02Å; K222-R224 PolarHBondContact O-N 3.08Å; K222-A225 PolarHBondContact O-N 3.37Å; K222-C226 VanDerWaalsContact O-CB 3.32Å; K222-C226 WeakPolarHBondContact O-CB 3.21Å; K222-C226 PolarHBondContact O-N 2.84Å
223	W	98.1	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-42.4	174.3	-79.5	128.5	0	0	0	112.2	Y204 A207 M208 E211 A219 A225 C226 V227 Q299 H302 L303	Y204-W223 HydrophobicContact CD1-CH2 4.48Å; Y204-W223 AromaticContact CD2-CH2 3.8Å; Y204-W223 HydrophobicContact CD2-CH2 3.8Å; Y204-W223 AromaticContact CD2-CZ3 3.51Å; Y204-W223 HydrophobicContact CD2-CZ3 3.51Å; Y204-W223 HydrophobicContact CE1-CH2 4.31Å; Y204-W223 AromaticContact CE2-CH2 3.6Å; Y204-W223 HydrophobicContact CE2-CH2 3.6Å; Y204-W223 AromaticContact CE2-CZ3 3.63Å; Y204-W223 HydrophobicContact CE2-CZ3 3.63Å; Y204-W223 HydrophobicContact CG-CH2 4.23Å; Y204-W223 HydrophobicContact CG-CZ3 4.14Å; Y204-W223 AromaticContact CZ-CH2 3.86Å; A207-W223 HydrophobicContact CB-CD2 3.38Å; A207-W223 VanDerWaalsContact CB-CE2 3.43Å; A207-W223 HydrophobicContact CB-CE3 3.8Å; A207-W223 HydrophobicContact CB-CG 3.72Å; A207-W223 HydrophobicContact CB-CH2 4.26Å; A207-W223 HydrophobicContact CB-CZ2 3.92Å; A207-W223 HydrophobicContact CB-CZ3 4.18Å; M208-W223 HydrophobicContact CG-CH2 3.99Å; M208-W223 HydrophobicContact CG-CZ2 3.95Å; M208-W223 HydrophobicContact SD-CH2 3.92Å; M208-W223 HydrophobicContact SD-CZ2 3.61Å; E211-W223 PolarHBondContact OE2-NE1 3.47Å; A219-W223 WeakPolarHBondContact O-CB 3.36Å; A219-W223 VanDerWaalsContact O-CD1 3.25Å; A219-W223 PolarHBondContact O-N 2.73Å; W223-A225 VanDerWaalsContact C-N 3.34Å; W223-A225 PolarHBondContact O-N 3.47Å; W223-C226 HydrophobicContact CE3-CB 4.2Å; W223-C226 WeakPolarHBondContact O-CB 3.49Å; W223-C226 PolarHBondContact O-N 2.92Å; W223-V227 WeakPolarHBondContact O-CG2 3.47Å; W223-V227 PolarHBondContact O-N 3.16Å; W223-Q299 HydrophobicContact CE3-CB 4.34Å; W223-Q299 HydrophobicContact CE3-CG 4.22Å; W223-Q299 HydrophobicContact CZ3-CB 4.4Å; W223-Q299 HydrophobicContact CZ3-CG 3.87Å; W223-H302 HydrophobicContact CD2-CB 3.81Å; W223-H302 AromaticContact CE2-CG 3.82Å; W223-H302 HydrophobicContact CE3-CB 4.46Å; W223-H302 HydrophobicContact CG-CB 4.15Å; W223-H302 HydrophobicContact CH2-CB 4.36Å; W223-H302 AromaticContact CH2-CD2 4Å; W223-H302 HydrophobicContact CZ2-CB 3.66Å; W223-H302 AromaticContact CZ2-CD2 3.79Å; W223-H302 AromaticContact CZ2-CG 3.57Å; W223-H302 AromaticContact CZ2-ND1 3.98Å; W223-L303 HydrophobicContact CB-CB 3.95Å; W223-L303 HydrophobicContact CB-CD1 3.76Å; W223-L303 HydrophobicContact CB-CG 4.4Å
224	R	98.3	Very high	97.1	Very high	110 Å²	110	47.6 Å²	47.6	42%	0.415	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-43.6	175.9	-174.5	-178.9	-69.2	154.5	-2.5	111.6	A220 E221 K222 C226 N228 L303 D312	A220-R224 VanDerWaalsContact O-CB 3.27Å; A220-R224 WeakPolarHBondContact O-CB 3.48Å; A220-R224 PolarHBondContact O-N 3.18Å; E221-R224 PolarHBondContact O-N 2.71Å; K222-R224 PolarHBondContact O-N 3.08Å; R224-C226 VanDerWaalsContact C-N 3.35Å; R224-N228 PolarHBondContact O-N 2.97Å; R224-N228 PolarHBondContact O-ND2 3.23Å; R224-L303 HydrophobicContact CB-CD1 3.96Å; R224-L303 HydrophobicContact CB-CD2 4.33Å; R224-D312 IonicContact NH2-OD2 2.62Å; R224-D312 PolarHBondContact NH2-OD2 3.22Å; R224-D312 VanDerWaalsContact NH2-OD2 3.13Å
225	A	98.4	Very high	97.4	Very high	35 Å²	35	47.3 Å²	47.3	29%	0.289	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-40	175.2	0	0	0	0	0	111.8	L203 E221 K222 W223 N228 E229	L203-A225 HydrophobicContact CD1-CB 4.08Å; L203-A225 HydrophobicContact CD2-CB 3.94Å; E221-A225 WeakPolarHBondContact O-CB 3.25Å; E221-A225 PolarHBondContact O-N 3.33Å; K222-A225 PolarHBondContact O-N 3.37Å; W223-A225 VanDerWaalsContact C-N 3.34Å; W223-A225 PolarHBondContact O-N 3.47Å; A225-N228 PolarHBondContact O-N 2.68Å; A225-E229 PolarHBondContact O-N 3.12Å
226	C	98.4	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-52.3	177.3	-171.5	0	0	0	0	111.2	L203 K222 W223 R224 N228 E229 T230 Q299	L203-C226 HydrophobicContact CB-CB 3.89Å; K222-C226 VanDerWaalsContact O-CB 3.32Å; K222-C226 WeakPolarHBondContact O-CB 3.21Å; K222-C226 PolarHBondContact O-N 2.84Å; W223-C226 HydrophobicContact CE3-CB 4.2Å; W223-C226 WeakPolarHBondContact O-CB 3.49Å; W223-C226 PolarHBondContact O-N 2.92Å; R224-C226 VanDerWaalsContact C-N 3.35Å; C226-N228 VanDerWaalsContact C-N 3.3Å; C226-N228 PolarHBondContact O-N 2.99Å; C226-E229 PolarHBondContact O-N 2.94Å; C226-T230 WeakPolarHBondContact O-CB 3.32Å; C226-T230 PolarHBondContact O-N 3.12Å; C226-T230 PolarHBondContact O-OG1 3.5Å; C226-Q299 VanDerWaalsContact SG-CD 3.6Å; C226-Q299 PolarHBondContact SG-OE1 3Å
227	V	98.4	Very high	97.5	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-55.3	-46.1	178.4	170.2	0	0	0	0	111.3	W223 T230 L231 L296 Q299 L300 L303	W223-V227 WeakPolarHBondContact O-CG2 3.47Å; W223-V227 PolarHBondContact O-N 3.16Å; V227-T230 PolarHBondContact O-N 2.93Å; V227-L231 HydrophobicContact CG1-CD1 4.2Å; V227-L231 WeakPolarHBondContact O-CG 3.49Å; V227-L231 PolarHBondContact O-N 3.11Å; V227-L296 HydrophobicContact CG1-CD1 4.13Å; V227-Q299 VanDerWaalsContact CA-OE1 3.32Å; V227-Q299 HydrophobicContact CG2-CB 3.7Å; V227-L300 HydrophobicContact CG1-CD2 4.04Å; V227-L300 HydrophobicContact CG2-CD2 4.16Å; V227-L303 HydrophobicContact CG2-CD2 4.24Å
228	N	97.9	Very high	97.5	Very high	101 Å²	101	39.9 Å²	39.9	54%	0.54	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-44.3	-180	-72.3	-16.2	0	0	0	112.3	R224 A225 C226 W232	R224-N228 PolarHBondContact O-N 2.97Å; R224-N228 PolarHBondContact O-ND2 3.23Å; A225-N228 PolarHBondContact O-N 2.68Å; C226-N228 VanDerWaalsContact C-N 3.3Å; C226-N228 PolarHBondContact O-N 2.99Å; N228-W232 WeakPolarHBondContact O-CB 3.5Å; N228-W232 PolarHBondContact O-N 3.17Å
229	E	98.4	Very high	97.4	Very high	32 Å²	32	37.3 Å²	37.3	15%	0.15	18%	0.177	C	C	.	.	H	α-helix	trans	-68.5	-38.4	177.2	-176.7	71.5	-162.3	0	0	111.1	K199 H200 L203 A225 C226 W232 R233	K199-E229 HydrophobicContact CB-CG 3.82Å; H200-E229 HydrophobicContact CB-CB 4.28Å; H200-E229 HydrophobicContact CB-CG 3.87Å; L203-E229 HydrophobicContact CD1-CB 3.89Å; L203-E229 HydrophobicContact CD1-CG 4.32Å; A225-E229 PolarHBondContact O-N 3.12Å; C226-E229 PolarHBondContact O-N 2.94Å; E229-W232 PolarHBondContact O-N 2.85Å; E229-R233 HydrophobicContact CG-CG 4.41Å; E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 WeakPolarHBondContact O-CG 3.32Å; E229-R233 PolarHBondContact O-N 3.28Å; E229-R233 IonicContact OE1-CZ 2.74Å; E229-R233 IonicContact OE1-NE 3.33Å; E229-R233 PolarHBondContact OE1-NE 2.87Å; E229-R233 IonicContact OE1-NH2 3.53Å; E229-R233 PolarHBondContact OE1-NH2 3.38Å
230	T	98.3	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-48.1	174.8	-69.2	0	0	0	0	111.4	C226 V227 W232 R233 I234 V282 F295 L296 Q299	C226-T230 WeakPolarHBondContact O-CB 3.32Å; C226-T230 PolarHBondContact O-N 3.12Å; C226-T230 PolarHBondContact O-OG1 3.5Å; V227-T230 PolarHBondContact O-N 2.93Å; T230-W232 VanDerWaalsContact C-N 3.3Å; T230-W232 PolarHBondContact O-N 2.82Å; T230-R233 PolarHBondContact O-N 3.46Å; T230-I234 HydrophobicContact CG2-CD1 4.05Å; T230-I234 WeakPolarHBondContact O-CG1 3.29Å; T230-I234 PolarHBondContact O-N 2.98Å; T230-V282 HydrophobicContact CG2-CG1 4.16Å; T230-F295 HydrophobicContact CG2-CD1 3.98Å; T230-F295 HydrophobicContact CG2-CE1 3.91Å; T230-L296 HydrophobicContact CG2-CD1 4.43Å; T230-Q299 PolarHBondContact OG1-NE2 3.31Å; T230-Q299 PolarHBondContact OG1-OE1 3.29Å
231	L	97.9	Very high	97.2	Very high	32 Å²	32	38.6 Å²	38.6	17%	0.168	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-42	175.1	-73.3	172.5	0	0	0	111.9	V227 I234 D235 L296 I359 Y362	V227-L231 HydrophobicContact CG1-CD1 4.2Å; V227-L231 WeakPolarHBondContact O-CG 3.49Å; V227-L231 PolarHBondContact O-N 3.11Å; L231-I234 PolarHBondContact O-N 2.01Å; L231-D235 PolarHBondContact O-N 2.91Å; L231-L296 HydrophobicContact CD2-CD1 4.26Å; L231-L296 HydrophobicContact CD2-CD2 3.74Å; L231-L296 HydrophobicContact CG-CD1 4.32Å; L231-I359 HydrophobicContact CD1-CD1 3.8Å; L231-I359 HydrophobicContact CD2-CD1 4.28Å; L231-Y362 HydrophobicContact CD2-CD2 4.46Å; L231-Y362 HydrophobicContact CD2-CG 4.39Å
232	W	97.3	Very high	96.8	Very high	107 Å²	107	36.7 Å²	36.7	41%	0.405	17%	0.174	S	C	.	.	H	α-helix	trans	-63.3	-40.6	176.7	-178.5	76	0	0	0	112.1	N228 E229 T230 D235 E236	N228-W232 WeakPolarHBondContact O-CB 3.5Å; N228-W232 PolarHBondContact O-N 3.17Å; E229-W232 PolarHBondContact O-N 2.85Å; T230-W232 VanDerWaalsContact C-N 3.3Å; T230-W232 PolarHBondContact O-N 2.82Å; W232-D235 PolarHBondContact O-N 3.19Å; W232-E236 HydrophobicContact CD2-CG 3.96Å; W232-E236 HydrophobicContact CE3-CG 4.14Å; W232-E236 HydrophobicContact CH2-CG 3.63Å; W232-E236 HydrophobicContact CZ2-CG 3.4Å; W232-E236 VanDerWaalsContact CZ2-CG 3.4Å; W232-E236 HydrophobicContact CZ3-CG 4Å; W232-E236 WeakPolarHBondContact O-CG 3.43Å; W232-E236 PolarHBondContact O-N 3.26Å
233	R	97.4	Very high	96.5	Very high	65 Å²	65	35 Å²	35	25%	0.245	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-38.8	176.4	-71	-71	174.1	168.1	2.2	112.8	E229 T230 D235 E236 C237 V282	E229-R233 HydrophobicContact CG-CG 4.41Å; E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 WeakPolarHBondContact O-CG 3.32Å; E229-R233 PolarHBondContact O-N 3.28Å; E229-R233 IonicContact OE1-CZ 2.74Å; E229-R233 IonicContact OE1-NE 3.33Å; E229-R233 PolarHBondContact OE1-NE 2.87Å; E229-R233 IonicContact OE1-NH2 3.53Å; E229-R233 PolarHBondContact OE1-NH2 3.38Å; T230-R233 PolarHBondContact O-N 3.46Å; R233-D235 VanDerWaalsContact C-N 3.34Å; R233-E236 PolarHBondContact O-N 3.02Å; R233-C237 PolarHBondContact O-N 3.17Å; R233-V282 HydrophobicContact CB-CG1 3.9Å; R233-V282 HydrophobicContact CB-CG2 3.93Å
234	I	97.4	Very high	95.9	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-45.2	172.9	-68.3	165.9	0	0	0	109.8	T230 L231 C237 R238 V279 V282 Y362	T230-I234 HydrophobicContact CG2-CD1 4.05Å; T230-I234 WeakPolarHBondContact O-CG1 3.29Å; T230-I234 PolarHBondContact O-N 2.98Å; L231-I234 PolarHBondContact O-N 2.01Å; I234-C237 PolarHBondContact O-N 2.96Å; I234-R238 HydrophobicContact CG2-CG 4.39Å; I234-R238 WeakPolarHBondContact O-CB 3.5Å; I234-R238 WeakPolarHBondContact O-CD 3.17Å; I234-R238 WeakPolarHBondContact O-CG 3.42Å; I234-R238 PolarHBondContact O-N 3.39Å; I234-V279 HydrophobicContact CD1-CG2 4.15Å; I234-V282 HydrophobicContact CG1-CB 4.07Å; I234-V282 HydrophobicContact CG1-CG1 4.16Å; I234-V282 HydrophobicContact CG1-CG2 3.96Å; I234-Y362 HydrophobicContact CG2-CE2 4.14Å
235	D	96.3	Very high	95.1	Very high	65 Å²	65	32.9 Å²	32.9	35%	0.348	17%	0.169	S	C	.	.	H	α-helix	trans	-62.7	-44.9	176.7	-171.4	65.1	0	0	0	112.2	R71 L231 W232 R233 C237 R238 V239	R71-D235 IonicContact CZ-OD2 3.95Å; R71-D235 IonicContact NH1-OD2 3.63Å; R71-D235 PolarHBondContact NH1-OD2 2.7Å; R71-D235 IonicContact NH2-OD2 3.79Å; R71-D235 PolarHBondContact NH2-OD2 2.98Å; L231-D235 PolarHBondContact O-N 2.91Å; W232-D235 PolarHBondContact O-N 3.19Å; R233-D235 VanDerWaalsContact C-N 3.34Å; D235-C237 VanDerWaalsContact C-N 3.33Å; D235-C237 PolarHBondContact O-N 3.17Å; D235-R238 PolarHBondContact O-N 2.94Å; D235-R238 VanDerWaalsContact O-N 3.13Å; D235-V239 WeakPolarHBondContact O-CG2 3.45Å; D235-V239 PolarHBondContact O-N 3.16Å
236	E	96.2	Very high	93.8	Very high	37 Å²	37	35.4 Å²	35.4	17%	0.173	17%	0.174	C	C	.	.	H	α-helix	trans	-56.4	-45.6	175.3	-79.9	-63.4	110.1	0	0	112	R71 W232 R233 V239 Q240	R71-E236 WeakPolarHBondContact CD-OE1 3.46Å; R71-E236 WeakPolarHBondContact CG-OE1 3.43Å; R71-E236 IonicContact CZ-OE1 3.7Å; R71-E236 VanDerWaalsContact CZ-OE1 3.27Å; R71-E236 IonicContact NE-OE1 3.02Å; R71-E236 PolarHBondContact NE-OE1 2.84Å; R71-E236 IonicContact NH1-OE1 3.81Å; R71-E236 PolarHBondContact NH1-OE1 2.96Å; W232-E236 HydrophobicContact CD2-CG 3.96Å; W232-E236 HydrophobicContact CE3-CG 4.14Å; W232-E236 HydrophobicContact CH2-CG 3.63Å; W232-E236 HydrophobicContact CZ2-CG 3.4Å; W232-E236 VanDerWaalsContact CZ2-CG 3.4Å; W232-E236 HydrophobicContact CZ3-CG 4Å; W232-E236 WeakPolarHBondContact O-CG 3.43Å; W232-E236 PolarHBondContact O-N 3.26Å; R233-E236 PolarHBondContact O-N 3.02Å; E236-V239 PolarHBondContact O-N 3.38Å; E236-Q240 WeakPolarHBondContact O-CG 3.42Å; E236-Q240 PolarHBondContact O-N 2.99Å
237	C	96.3	Very high	92.4	Very high	23 Å²	23	41.8 Å²	41.8	16%	0.155	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-45.6	175.3	174	0	0	0	0	111.6	R233 I234 D235 V239 Q240 C241 C278	R233-C237 PolarHBondContact O-N 3.17Å; I234-C237 PolarHBondContact O-N 2.96Å; D235-C237 VanDerWaalsContact C-N 3.33Å; D235-C237 PolarHBondContact O-N 3.17Å; C237-V239 VanDerWaalsContact C-N 3.29Å; C237-V239 PolarHBondContact O-N 3.02Å; C237-Q240 WeakPolarHBondContact O-CA 3.3Å; C237-Q240 WeakPolarHBondContact O-CB 3.29Å; C237-Q240 PolarHBondContact O-N 3.09Å; C237-C241 PolarHBondContact O-N 3.14Å; C237-C278 HydrophobicContact CB-CB 3.64Å; C237-C278 WeakPolarHBondContact CB-SG 3.45Å; C237-C278 WeakPolarHBondContact SG-CA 3.4Å; C237-C278 WeakPolarHBondContact SG-CB 3.45Å; C237-C278 CovalentContact SG-SG 2.04Å; C237-C278 PolarHBondContact SG-SG 2.95Å
238	R	95.9	Very high	90.9	Very high	18 Å²	18	48 Å²	48	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-35.6	-179.3	-70.5	166.2	69.2	84.8	4.1	112.2	I234 D235 Q240 C241 E242 R275 C278 Q365 E369	I234-R238 HydrophobicContact CG2-CG 4.39Å; I234-R238 WeakPolarHBondContact O-CB 3.5Å; I234-R238 WeakPolarHBondContact O-CD 3.17Å; I234-R238 WeakPolarHBondContact O-CG 3.42Å; I234-R238 PolarHBondContact O-N 3.39Å; D235-R238 PolarHBondContact O-N 2.94Å; D235-R238 VanDerWaalsContact O-N 3.13Å; R238-Q240 VanDerWaalsContact C-N 3.3Å; R238-Q240 PolarHBondContact O-N 3Å; R238-C241 WeakPolarHBondContact O-CB 3.29Å; R238-C241 PolarHBondContact O-N 3.42Å; R238-C241 VanDerWaalsContact O-N 3.16Å; R238-E242 PolarHBondContact O-N 3.06Å; R238-R275 HydrophobicContact CB-CG 4.36Å; R238-R275 HydrophobicContact CG-CB 4.3Å; R238-R275 HydrophobicContact CG-CG 4.28Å; R238-R275 PolarHBondContact NH1-O 2.73Å; R238-C278 HydrophobicContact CG-CB 4.09Å; R238-C278 PolarHBondContact N-SG 3.24Å; R238-C278 VanDerWaalsContact N-SG 3.41Å; R238-Q365 VanDerWaalsContact NH2-CD 3.33Å; R238-E369 IonicContact CZ-OE1 3.6Å; R238-E369 IonicContact CZ-OE2 2.84Å; R238-E369 IonicContact NH1-OE2 3.3Å; R238-E369 PolarHBondContact NH1-OE2 2.83Å; R238-E369 IonicContact NH2-OE1 3.53Å; R238-E369 PolarHBondContact NH2-OE1 3.37Å; R238-E369 IonicContact NH2-OE2 3.01Å; R238-E369 PolarHBondContact NH2-OE2 2.89Å
239	V	95.8	Very high	89.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-40	171.9	168.9	0	0	0	0	111.2	H74 D235 E236 C237 C241 E242 V243	H74-V239 HydrophobicContact CB-CG1 3.48Å; H74-V239 VanDerWaalsContact CB-CG1 3.48Å; D235-V239 WeakPolarHBondContact O-CG2 3.45Å; D235-V239 PolarHBondContact O-N 3.16Å; E236-V239 PolarHBondContact O-N 3.38Å; C237-V239 VanDerWaalsContact C-N 3.29Å; C237-V239 PolarHBondContact O-N 3.02Å; V239-C241 VanDerWaalsContact C-N 3.27Å; V239-C241 PolarHBondContact O-N 3.36Å; V239-E242 PolarHBondContact O-N 2.89Å; V239-E242 VanDerWaalsContact O-N 3.13Å; V239-V243 HydrophobicContact CG1-CG2 4.14Å; V239-V243 WeakPolarHBondContact O-CG2 3.06Å; V239-V243 PolarHBondContact O-N 3.17Å; V239-V243 VanDerWaalsContact O-N 3.12Å
240	Q	94.4	Very high	87.3	Confident	27 Å²	27	53.6 Å²	53.6	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-34.2	175.9	-57.3	-52.5	-42.7	0	0	112	L67 E236 C237 R238 E242 V243 S244	L67-Q240 HydrophobicContact CD2-CG 3.93Å; L67-Q240 PolarHBondContact O-NE2 3.43Å; E236-Q240 WeakPolarHBondContact O-CG 3.42Å; E236-Q240 PolarHBondContact O-N 2.99Å; C237-Q240 WeakPolarHBondContact O-CA 3.3Å; C237-Q240 WeakPolarHBondContact O-CB 3.29Å; C237-Q240 PolarHBondContact O-N 3.09Å; R238-Q240 VanDerWaalsContact C-N 3.3Å; R238-Q240 PolarHBondContact O-N 3Å; Q240-E242 VanDerWaalsContact C-N 3.29Å; Q240-E242 PolarHBondContact O-N 3.3Å; Q240-V243 PolarHBondContact O-N 3.11Å; Q240-S244 WeakPolarHBondContact O-CB 3.17Å; Q240-S244 PolarHBondContact O-N 3.39Å; Q240-S244 PolarHBondContact O-OG 2.81Å
241	C	93	Very high	85.2	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-35.5	173.8	-64.3	0	0	0	0	113	C237 R238 V239 L271 C274 R275	C237-C241 PolarHBondContact O-N 3.14Å; R238-C241 WeakPolarHBondContact O-CB 3.29Å; R238-C241 PolarHBondContact O-N 3.42Å; R238-C241 VanDerWaalsContact O-N 3.16Å; V239-C241 VanDerWaalsContact C-N 3.27Å; V239-C241 PolarHBondContact O-N 3.36Å; C241-L271 HydrophobicContact CB-CD1 4.05Å; C241-L271 WeakPolarHBondContact O-CD1 3.32Å; C241-C274 VanDerWaalsContact CA-SG 3.58Å; C241-C274 HydrophobicContact CB-CB 3.73Å; C241-C274 WeakPolarHBondContact CB-SG 3.4Å; C241-C274 WeakPolarHBondContact SG-CB 3.05Å; C241-C274 PolarHBondContact SG-O 3.22Å; C241-C274 CovalentContact SG-SG 2.04Å; C241-C274 PolarHBondContact SG-SG 3Å; C241-R275 HydrophobicContact CB-CG 4.1Å
242	E	90.6	Very high	83.2	Confident	51 Å²	51	63.7 Å²	63.7	24%	0.238	31%	0.312	C	S	.	.	H	α-helix	trans	-77.3	-35.1	-179.9	-66.7	-168.4	-161.5	0	0	113.7	H74 K107 R238 V239 Q240 L271 R275	H74-E242 IonicContact CD2-OE2 2.75Å; H74-E242 IonicContact NE2-OE2 2.84Å; K107-E242 IonicContact NZ-OE2 3.25Å; K107-E242 PolarHBondContact NZ-OE2 3.24Å; R238-E242 PolarHBondContact O-N 3.06Å; V239-E242 PolarHBondContact O-N 2.89Å; V239-E242 VanDerWaalsContact O-N 3.13Å; Q240-E242 VanDerWaalsContact C-N 3.29Å; Q240-E242 PolarHBondContact O-N 3.3Å; E242-L271 HydrophobicContact CG-CD1 4.21Å; E242-R275 IonicContact OE1-CZ 3.18Å; E242-R275 IonicContact OE1-NE 3.42Å; E242-R275 IonicContact OE1-NH2 2.73Å; E242-R275 PolarHBondContact OE1-NH2 3.23Å; E242-R275 IonicContact OE2-NH2 3.87Å
243	V	91.3	Very high	81	Confident	12 Å²	12	60.5 Å²	60.5	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-104.5	-24.6	-167.6	-169.7	0	0	0	0	112.5	R70 H74 L111 I115 V239 Q240	R70-V243 HydrophobicContact CB-CB 4.05Å; R70-V243 HydrophobicContact CB-CG1 3.7Å; R70-V243 HydrophobicContact CG-CB 4.28Å; R70-V243 HydrophobicContact CG-CG1 3.69Å; H74-V243 HydrophobicContact CB-CG2 3.85Å; L111-V243 HydrophobicContact CD2-CG1 4.38Å; L111-V243 HydrophobicContact CD2-CG2 4.2Å; I115-V243 HydrophobicContact CD1-CG1 3.51Å; I115-V243 HydrophobicContact CG1-CG1 4.24Å; V239-V243 HydrophobicContact CG1-CG2 4.14Å; V239-V243 WeakPolarHBondContact O-CG2 3.06Å; V239-V243 PolarHBondContact O-N 3.17Å; V239-V243 VanDerWaalsContact O-N 3.12Å; Q240-V243 PolarHBondContact O-N 3.11Å
244	S	86.6	Confident	78.8	Confident	27 Å²	27	64.5 Å²	64.5	19%	0.189	34%	0.343	C	S	.	.	S	Bend	trans	-68.4	141.8	178.9	-59.2	0	0	0	0	110.6	R70 Q240 Q246	R70-S244 PolarHBondContact NH1-OG 3.18Å; Q240-S244 WeakPolarHBondContact O-CB 3.17Å; Q240-S244 PolarHBondContact O-N 3.39Å; Q240-S244 PolarHBondContact O-OG 2.81Å; S244-Q246 PolarHBondContact O-N 3.24Å
245	P	80.6	Confident	76.7	Confident	39 Å²	39	71.9 Å²	71.9	25%	0.253	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-63.1	126.9	174.4	30.4	-36.6	0	0	0	109.2	Q124 P126	Q124-P245 WeakPolarHBondContact O-CB 3.33Å; Q124-P245 WeakPolarHBondContact O-CG 3.26Å; P126-P245 HydrophobicContact CB-CB 4.48Å; P126-P245 HydrophobicContact CB-CG 4.2Å
246	Q	72	Confident	74.8	Confident	88 Å²	88	69.7 Å²	69.7	41%	0.411	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-102.8	139.4	174.2	-66.1	-67.3	-18.8	0	0	109	S244	S244-Q246 PolarHBondContact O-N 3.24Å
247	L	68.3	Low	73.2	Confident	133 Å²	133	74.5 Å²	74.5	70%	0.696	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-65.7	137.3	164.1	-70.7	169.2	0	0	0	107.8	P126	P126-L247 HydrophobicContact CB-CG 4.49Å; P126-L247 HydrophobicContact CG-CD2 3.76Å; P126-L247 HydrophobicContact CG-CG 3.96Å
248	L	66	Low	72.1	Confident	137 Å²	137	75.3 Å²	75.3	72%	0.717	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-60.6	137	168	-71.1	172	0	0	0	107.6	E250	L248-E250 PolarHBondContact O-N 3.12Å
249	P	63.3	Low	71.5	Confident	66 Å²	66	76 Å²	76	43%	0.429	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-47.8	134	173.2	-25.9	33.4	0	0	0	109.8	D251 A266	P249-D251 PolarHBondContact O-N 3.45Å; P249-A266 HydrophobicContact CG-CB 4.05Å
250	E	57.9	Low	71	Confident	185 Å²	185	80 Å²	80	86%	0.864	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-53.4	130.6	-178.3	-72.1	-173.6	159.4	0	0	110	L248 R252	L248-E250 PolarHBondContact O-N 3.12Å; E250-R252 PolarHBondContact O-N 2.65Å
251	D	54	Low	70.7	Confident	99 Å²	99	87.6 Å²	87.6	53%	0.529	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-54	128	171.3	-140.7	24.4	0	0	0	106.5	P249 G253 K263	P249-D251 PolarHBondContact O-N 3.45Å; D251-G253 PolarHBondContact O-N 3.19Å; D251-K263 IonicContact OD1-NZ 2.99Å; D251-K263 PolarHBondContact OD1-NZ 3.03Å
252	R	55.8	Low	70.4	Confident	146 Å²	146	92 Å²	92	55%	0.551	51%	0.509	S	S	*	.			trans	-65.5	28.1	-175.6	-69.7	176.2	169.5	172.6	-1.9	113.9	E250 L380	E250-R252 PolarHBondContact O-N 2.65Å; R252-L380 PolarHBondContact NH2-O 3.24Å
253	G	52	Low	70.2	Confident	40 Å²	40	94.4 Å²	94.4	41%	0.412	52%	0.519	S	S	.	.			trans	85.5	177.7	-173	0	0	0	0	0	112.7	D251 D255 G256	D251-G253 PolarHBondContact O-N 3.19Å; G253-D255 PolarHBondContact O-N 2.95Å; G253-G256 PolarHBondContact O-N 3.41Å; G253-G256 VanDerWaalsContact O-N 3.12Å
254	V	50.2	Low	70.1	Confident	148 Å²	148	96.5 Å²	96.5	90%	0.897	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.4	-178.2	-170.9	0	0	0	0	112.7
255	D	53.9	Low	70.3	Confident	161 Å²	161	96.6 Å²	96.6	86%	0.861	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-10.3	-179.6	-61.4	-37.5	0	0	0	113.8	G253	G253-D255 PolarHBondContact O-N 2.95Å
256	G	56.6	Low	70.6	Confident	19 Å²	19	96.2 Å²	96.2	20%	0.196	54%	0.54	C	S	.	.			trans	-97.9	94.7	179.5	0	0	0	0	0	112	G253 D258	G253-G256 PolarHBondContact O-N 3.41Å; G253-G256 VanDerWaalsContact O-N 3.12Å; G256-D258 VanDerWaalsContact C-N 3.31Å; G256-D258 PolarHBondContact O-N 2.98Å
257	V	62.2	Low	71.4	Confident	138 Å²	138	95.7 Å²	95.7	84%	0.836	54%	0.539	S	S	*	.			trans	-89	70.4	174.8	-167.1	0	0	0	0	109.5	G259	V257-G259 PolarHBondContact O-N 2.95Å
258	D	73.7	Confident	72.6	Confident	40 Å²	40	92.2 Å²	92.2	21%	0.214	53%	0.526	C	S	.	.			trans	-67.6	126.4	177	-65	-24.4	0	0	0	110.1	G256 E262 K263	G256-D258 VanDerWaalsContact C-N 3.31Å; G256-D258 PolarHBondContact O-N 2.98Å; D258-E262 HydrophobicContact CB-CB 4.12Å; D258-K263 HydrophobicContact CB-CG 4.02Å; D258-K263 WeakPolarHBondContact O-CE 3.49Å
259	G	82.8	Confident	73.9	Confident	33 Å²	33	86.1 Å²	86.1	34%	0.34	50%	0.495	S	S	.	.			trans	-70.2	169.4	175.1	0	0	0	0	0	113.1	V257 F261 E262 K263	V257-G259 PolarHBondContact O-N 2.95Å; G259-F261 VanDerWaalsContact C-N 3.28Å; G259-F261 PolarHBondContact O-N 3.41Å; G259-E262 PolarHBondContact N-OE2 3.43Å; G259-E262 PolarHBondContact O-N 3.16Å; G259-E262 VanDerWaalsContact O-N 3.12Å; G259-K263 PolarHBondContact O-N 2.75Å
260	A	86	Confident	75.2	Confident	86 Å²	86	84.8 Å²	84.8	71%	0.711	49%	0.487	S	S	*	.	H	α-helix	trans	-57.5	-38.4	-178.3	0	0	0	0	0	113.3	A264	A260-A264 WeakPolarHBondContact O-CB 3.19Å; A260-A264 PolarHBondContact O-N 2.97Å
261	F	87.9	Confident	76.9	Confident	186 Å²	186	78.4 Å²	78.4	82%	0.816	46%	0.458	S	S	*	.	H	α-helix	trans	-71.5	-34.7	177.8	-73.9	-73	0	0	0	113	G259 A264 A265	G259-F261 VanDerWaalsContact C-N 3.28Å; G259-F261 PolarHBondContact O-N 3.41Å; F261-A264 PolarHBondContact O-N 2.67Å; F261-A265 VanDerWaalsContact O-CB 3.31Å; F261-A265 WeakPolarHBondContact O-CB 3.49Å; F261-A265 PolarHBondContact O-N 3.21Å
262	E	87.1	Confident	78.9	Confident	99 Å²	99	74.2 Å²	74.2	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-42.8	175.4	-68.6	172.6	110	0	0	110.5	D258 G259 A265 A266	D258-E262 HydrophobicContact CB-CB 4.12Å; G259-E262 PolarHBondContact N-OE2 3.43Å; G259-E262 PolarHBondContact O-N 3.16Å; G259-E262 VanDerWaalsContact O-N 3.12Å; E262-A265 PolarHBondContact O-N 3.27Å; E262-A266 WeakPolarHBondContact O-CB 3.28Å; E262-A266 PolarHBondContact O-N 3.23Å
263	K	86.2	Confident	80.8	Confident	101 Å²	101	68.9 Å²	68.9	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-40.8	174	-64.1	-167.6	177.9	-155.4	0	112.3	D251 D258 G259 A266 L267	D251-K263 IonicContact OD1-NZ 2.99Å; D251-K263 PolarHBondContact OD1-NZ 3.03Å; D258-K263 HydrophobicContact CB-CG 4.02Å; D258-K263 WeakPolarHBondContact O-CE 3.49Å; G259-K263 PolarHBondContact O-N 2.75Å; K263-A266 PolarHBondContact O-N 3.47Å; K263-L267 PolarHBondContact O-N 2.9Å; K263-L267 VanDerWaalsContact O-N 3.07Å
264	A	88.2	Confident	82.8	Confident	56 Å²	56	68.6 Å²	68.6	46%	0.463	41%	0.412	S	S	.	.	H	α-helix	trans	-64.9	-40.8	175.8	0	0	0	0	0	112.2	A260 F261 L267 S268	A260-A264 WeakPolarHBondContact O-CB 3.19Å; A260-A264 PolarHBondContact O-N 2.97Å; F261-A264 PolarHBondContact O-N 2.67Å; A264-L267 PolarHBondContact O-N 2.95Å; A264-S268 WeakPolarHBondContact O-CB 3.4Å; A264-S268 PolarHBondContact O-N 3.17Å
265	A	91.1	Very high	85	Confident	28 Å²	28	63.3 Å²	63.3	23%	0.231	38%	0.376	C	S	.	.	H	α-helix	trans	-64.5	-45.7	176.2	0	0	0	0	0	111.3	F261 E262 L267 S268 L269 L380	F261-A265 VanDerWaalsContact O-CB 3.31Å; F261-A265 WeakPolarHBondContact O-CB 3.49Å; F261-A265 PolarHBondContact O-N 3.21Å; E262-A265 PolarHBondContact O-N 3.27Å; A265-L267 VanDerWaalsContact C-N 3.33Å; A265-L267 PolarHBondContact O-N 2.87Å; A265-S268 PolarHBondContact O-N 3.32Å; A265-L269 WeakPolarHBondContact O-CB 3.29Å; A265-L269 VanDerWaalsContact O-CG 3.25Å; A265-L269 WeakPolarHBondContact O-CG 3.25Å; A265-L269 PolarHBondContact O-N 2.95Å; A265-L380 HydrophobicContact CB-CD1 3.76Å
266	A	87.9	Confident	87	Confident	32 Å²	32	55.9 Å²	55.9	26%	0.264	34%	0.337	S	S	.	.	H	α-helix	trans	-58.9	-42.6	176.5	0	0	0	0	0	112.4	P249 E262 K263 S270	P249-A266 HydrophobicContact CG-CB 4.05Å; E262-A266 WeakPolarHBondContact O-CB 3.28Å; E262-A266 PolarHBondContact O-N 3.23Å; K263-A266 PolarHBondContact O-N 3.47Å; A266-S270 WeakPolarHBondContact O-CB 3.38Å; A266-S270 PolarHBondContact O-N 2.96Å
267	L	88.9	Confident	88.8	Confident	76 Å²	76	57 Å²	57	40%	0.398	34%	0.341	S	S	.	.	H	α-helix	trans	-66.1	-42.6	176.2	-176.6	63.3	0	0	0	112.2	K263 A264 A265 S270 L271	K263-L267 PolarHBondContact O-N 2.9Å; K263-L267 VanDerWaalsContact O-N 3.07Å; A264-L267 PolarHBondContact O-N 2.95Å; A265-L267 VanDerWaalsContact C-N 3.33Å; A265-L267 PolarHBondContact O-N 2.87Å; L267-S270 PolarHBondContact O-N 2.71Å; L267-L271 PolarHBondContact O-N 3.29Å
268	S	92.1	Very high	90.5	Very high	60 Å²	60	50.5 Å²	50.5	42%	0.42	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-47.1	176.6	-174.9	0	0	0	0	111.4	A264 A265 S270 L271 L272	A264-S268 WeakPolarHBondContact O-CB 3.4Å; A264-S268 PolarHBondContact O-N 3.17Å; A265-S268 PolarHBondContact O-N 3.32Å; S268-S270 VanDerWaalsContact C-N 3.34Å; S268-S270 PolarHBondContact O-N 2.91Å; S268-L271 WeakPolarHBondContact O-CB 3.25Å; S268-L271 PolarHBondContact O-N 3.44Å; S268-L272 WeakPolarHBondContact O-CG 3.35Å; S268-L272 PolarHBondContact O-N 3.18Å
269	L	93.6	Very high	91.5	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-38.8	177.9	-68.3	168.9	0	0	0	112	A265 L272 S273 L372 L373 L380 F382	A265-L269 WeakPolarHBondContact O-CB 3.29Å; A265-L269 VanDerWaalsContact O-CG 3.25Å; A265-L269 WeakPolarHBondContact O-CG 3.25Å; A265-L269 PolarHBondContact O-N 2.95Å; L269-L272 PolarHBondContact O-N 3.19Å; L269-S273 VanDerWaalsContact O-CB 3.26Å; L269-S273 WeakPolarHBondContact O-CB 3.25Å; L269-S273 PolarHBondContact O-N 3.03Å; L269-L372 WeakPolarHBondContact CD2-O 3.41Å; L269-L373 HydrophobicContact CD2-CD2 4.13Å; L269-L373 WeakPolarHBondContact O-CD2 3.45Å; L269-L380 HydrophobicContact CD1-CB 4.48Å; L269-L380 HydrophobicContact CD1-CD1 3.91Å; L269-F382 HydrophobicContact CB-CD1 4.15Å; L269-F382 HydrophobicContact CB-CD2 3.77Å; L269-F382 HydrophobicContact CB-CE1 4.01Å; L269-F382 HydrophobicContact CB-CE2 3.62Å; L269-F382 HydrophobicContact CB-CG 4.04Å; L269-F382 HydrophobicContact CB-CZ 3.75Å; L269-F382 HydrophobicContact CD1-CB 3.92Å; L269-F382 HydrophobicContact CD1-CD1 4.43Å; L269-F382 HydrophobicContact CD1-CD2 4.02Å; L269-F382 HydrophobicContact CD1-CG 3.87Å; L269-F382 HydrophobicContact CG-CG 4.46Å; L269-F382 WeakPolarHBondContact O-CZ 3.41Å
270	S	91.6	Very high	92	Very high	38 Å²	38	50.4 Å²	50.4	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-45.4	173.6	-175.9	0	0	0	0	112.1	A266 L267 S268 L272 S273 C274	A266-S270 WeakPolarHBondContact O-CB 3.38Å; A266-S270 PolarHBondContact O-N 2.96Å; L267-S270 PolarHBondContact O-N 2.71Å; S268-S270 VanDerWaalsContact C-N 3.34Å; S268-S270 PolarHBondContact O-N 2.91Å; S270-L272 PolarHBondContact O-N 3.38Å; S270-S273 PolarHBondContact O-N 3.34Å; S270-C274 PolarHBondContact O-N 2.86Å
271	L	93.2	Very high	92.4	Very high	50 Å²	50	51.6 Å²	51.6	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-59.8	-47.1	175.3	172.6	62.5	0	0	0	111.9	C241 E242 L267 S268 C274 R275	C241-L271 HydrophobicContact CB-CD1 4.05Å; C241-L271 WeakPolarHBondContact O-CD1 3.32Å; E242-L271 HydrophobicContact CG-CD1 4.21Å; L267-L271 PolarHBondContact O-N 3.29Å; S268-L271 WeakPolarHBondContact O-CB 3.25Å; S268-L271 PolarHBondContact O-N 3.44Å; L271-C274 PolarHBondContact O-N 2.93Å; L271-R275 WeakPolarHBondContact O-CG 3.31Å; L271-R275 PolarHBondContact O-N 3.43Å
272	L	96.1	Very high	92.8	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-40.5	178.7	-66.9	-177.9	0	0	0	111.7	S268 L269 S270 R275 Q276 E369 L372 L373	S268-L272 WeakPolarHBondContact O-CG 3.35Å; S268-L272 PolarHBondContact O-N 3.18Å; L269-L272 PolarHBondContact O-N 3.19Å; S270-L272 PolarHBondContact O-N 3.38Å; L272-R275 WeakPolarHBondContact O-CB 3.41Å; L272-R275 PolarHBondContact O-N 3.37Å; L272-Q276 WeakPolarHBondContact O-CG 3.13Å; L272-Q276 PolarHBondContact O-N 3.2Å; L272-E369 HydrophobicContact CD2-CB 4.17Å; L272-E369 HydrophobicContact CD2-CG 3.76Å; L272-L372 HydrophobicContact CD1-CB 3.69Å; L272-L372 HydrophobicContact CD1-CD1 3.84Å; L272-L372 HydrophobicContact CD1-CG 4.43Å; L272-L373 HydrophobicContact CB-CD1 3.99Å; L272-L373 HydrophobicContact CB-CD2 3.86Å; L272-L373 HydrophobicContact CB-CG 3.86Å; L272-L373 HydrophobicContact CD1-CG 4.47Å
273	S	95.1	Very high	93.2	Very high	35 Å²	35	38.8 Å²	38.8	25%	0.245	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-43.9	176.9	-174.4	0	0	0	0	111.6	L269 S270 R275 Q276 S277	L269-S273 VanDerWaalsContact O-CB 3.26Å; L269-S273 WeakPolarHBondContact O-CB 3.25Å; L269-S273 PolarHBondContact O-N 3.03Å; S270-S273 PolarHBondContact O-N 3.34Å; S273-R275 VanDerWaalsContact C-N 3.32Å; S273-R275 PolarHBondContact O-N 2.82Å; S273-Q276 PolarHBondContact O-N 2.95Å; S273-S277 PolarHBondContact O-N 3.02Å
274	C	94.1	Very high	93.4	Very high	34 Å²	34	35.5 Å²	35.5	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-44.5	172.8	-177.7	0	0	0	0	111.8	C241 S270 L271 Q276 S277 C278	C241-C274 VanDerWaalsContact CA-SG 3.58Å; C241-C274 HydrophobicContact CB-CB 3.73Å; C241-C274 WeakPolarHBondContact CB-SG 3.4Å; C241-C274 WeakPolarHBondContact SG-CB 3.05Å; C241-C274 PolarHBondContact SG-O 3.22Å; C241-C274 CovalentContact SG-SG 2.04Å; C241-C274 PolarHBondContact SG-SG 3Å; S270-C274 PolarHBondContact O-N 2.86Å; L271-C274 PolarHBondContact O-N 2.93Å; C274-Q276 VanDerWaalsContact C-N 3.3Å; C274-Q276 PolarHBondContact O-N 3.3Å; C274-S277 PolarHBondContact O-N 3.16Å; C274-S277 PolarHBondContact O-OG 3.28Å; C274-C278 PolarHBondContact O-N 3.43Å; C274-C278 PolarHBondContact O-SG 3.02Å
275	R	96.3	Very high	93.5	Very high	36 Å²	36	35.4 Å²	35.4	14%	0.136	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-34.7	179.1	-78.1	-179.4	-178.4	-177.3	5.6	113.5	R238 C241 E242 L271 L272 S273 C278 E369	R238-R275 HydrophobicContact CB-CG 4.36Å; R238-R275 HydrophobicContact CG-CB 4.3Å; R238-R275 HydrophobicContact CG-CG 4.28Å; R238-R275 PolarHBondContact NH1-O 2.73Å; C241-R275 HydrophobicContact CB-CG 4.1Å; E242-R275 IonicContact OE1-CZ 3.18Å; E242-R275 IonicContact OE1-NE 3.42Å; E242-R275 IonicContact OE1-NH2 2.73Å; E242-R275 PolarHBondContact OE1-NH2 3.23Å; E242-R275 IonicContact OE2-NH2 3.87Å; L271-R275 WeakPolarHBondContact O-CG 3.31Å; L271-R275 PolarHBondContact O-N 3.43Å; L272-R275 WeakPolarHBondContact O-CB 3.41Å; L272-R275 PolarHBondContact O-N 3.37Å; S273-R275 VanDerWaalsContact C-N 3.32Å; S273-R275 PolarHBondContact O-N 2.82Å; R275-C278 WeakPolarHBondContact O-CB 3.37Å; R275-E369 IonicContact NH1-OE1 3.93Å; R275-E369 PolarHBondContact NH1-OE1 3Å; R275-E369 VanDerWaalsContact NH1-OE1 3.16Å
276	Q	96.5	Very high	93.3	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-75.1	-37	177.2	-69.7	-66.9	-51	0	0	111.2	L272 S273 C274 C278 V279 S366 E369 L373 F384 P387	L272-Q276 WeakPolarHBondContact O-CG 3.13Å; L272-Q276 PolarHBondContact O-N 3.2Å; S273-Q276 PolarHBondContact O-N 2.95Å; C274-Q276 VanDerWaalsContact C-N 3.3Å; C274-Q276 PolarHBondContact O-N 3.3Å; Q276-C278 PolarHBondContact O-N 3.38Å; Q276-C278 VanDerWaalsContact O-N 3.16Å; Q276-V279 PolarHBondContact O-N 3.3Å; Q276-S366 PolarHBondContact NE2-OG 3.12Å; Q276-S366 PolarHBondContact OE1-OG 2.89Å; Q276-E369 PolarHBondContact NE2-OE2 3.1Å; Q276-L373 HydrophobicContact CB-CD1 4.47Å; Q276-L373 HydrophobicContact CG-CD1 3.66Å; Q276-F384 HydrophobicContact CB-CE2 4.13Å; Q276-F384 HydrophobicContact CG-CE2 4.44Å; Q276-F384 HydrophobicContact CG-CZ 4.5Å; Q276-P387 HydrophobicContact CB-CG 4.43Å
277	S	95.1	Very high	93	Very high	43 Å²	43	35.2 Å²	35.2	30%	0.301	21%	0.205	S	C	.	.	H	α-helix	trans	-66	-17.9	177.7	78.3	0	0	0	0	114.1	S273 C274 V279 T280 Q281	S273-S277 PolarHBondContact O-N 3.02Å; C274-S277 PolarHBondContact O-N 3.16Å; C274-S277 PolarHBondContact O-OG 3.28Å; S277-V279 PolarHBondContact O-N 2.98Å; S277-T280 WeakPolarHBondContact O-CB 3.31Å; S277-T280 PolarHBondContact O-N 3.47Å; S277-Q281 PolarHBondContact O-N 3.38Å; S277-Q281 PolarHBondContact OG-NE2 3.05Å
278	C	96.5	Very high	92.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-30.8	174.8	-73	0	0	0	0	113.6	C237 R238 C274 R275 Q276 Q281 V282	C237-C278 HydrophobicContact CB-CB 3.64Å; C237-C278 WeakPolarHBondContact CB-SG 3.45Å; C237-C278 WeakPolarHBondContact SG-CA 3.4Å; C237-C278 WeakPolarHBondContact SG-CB 3.45Å; C237-C278 CovalentContact SG-SG 2.04Å; C237-C278 PolarHBondContact SG-SG 2.95Å; R238-C278 HydrophobicContact CG-CB 4.09Å; R238-C278 PolarHBondContact N-SG 3.24Å; R238-C278 VanDerWaalsContact N-SG 3.41Å; C274-C278 PolarHBondContact O-N 3.43Å; C274-C278 PolarHBondContact O-SG 3.02Å; R275-C278 WeakPolarHBondContact O-CB 3.37Å; Q276-C278 PolarHBondContact O-N 3.38Å; Q276-C278 VanDerWaalsContact O-N 3.16Å; C278-Q281 PolarHBondContact O-N 3.41Å; C278-V282 VanDerWaalsContact O-CG2 3.32Å; C278-V282 WeakPolarHBondContact O-CG2 3.38Å; C278-V282 PolarHBondContact O-N 2.04Å
279	V	95.8	Very high	91.9	Very high	20 Å²	20	35.9 Å²	35.9	12%	0.121	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-42.8	178.3	87.5	0	0	0	0	110.6	I234 Q276 S277 A283 Y362 P387	I234-V279 HydrophobicContact CD1-CG2 4.15Å; Q276-V279 PolarHBondContact O-N 3.3Å; S277-V279 PolarHBondContact O-N 2.98Å; V279-A283 WeakPolarHBondContact O-CB 3.16Å; V279-A283 PolarHBondContact O-N 3.13Å; V279-A283 VanDerWaalsContact O-N 3.08Å; V279-Y362 WeakPolarHBondContact CG2-OH 3.35Å; V279-P387 HydrophobicContact CG1-CB 3.74Å; V279-P387 HydrophobicContact CG1-CG 3.73Å
280	T	93.5	Very high	91.3	Very high	52 Å²	52	38 Å²	38	32%	0.319	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-46.9	175.7	-49.8	0	0	0	0	110.8	S277 V282 A283 T284 A291 P387	S277-T280 WeakPolarHBondContact O-CB 3.31Å; S277-T280 PolarHBondContact O-N 3.47Å; T280-V282 VanDerWaalsContact C-N 3.35Å; T280-V282 PolarHBondContact O-N 3.02Å; T280-A283 CarbonylContact O-C 3.57Å; T280-A283 PolarHBondContact O-N 3.41Å; T280-A283 VanDerWaalsContact O-N 3.16Å; T280-T284 PolarHBondContact O-N 3.19Å; T280-T284 PolarHBondContact O-OG1 3.38Å; T280-A291 HydrophobicContact CG2-CB 3.6Å; T280-A291 WeakPolarHBondContact O-CB 3.34Å; T280-P387 VanDerWaalsContact OG1-CB 3.25Å; T280-P387 WeakPolarHBondContact OG1-CB 3.31Å
281	Q	93.4	Very high	91.1	Very high	111 Å²	111	36.8 Å²	36.8	52%	0.519	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-42.8	-179.5	-70	179.1	53.2	0	0	112.6	S277 C278 A283 T284	S277-Q281 PolarHBondContact O-N 3.38Å; S277-Q281 PolarHBondContact OG-NE2 3.05Å; C278-Q281 PolarHBondContact O-N 3.41Å; Q281-A283 VanDerWaalsContact C-N 3.32Å; Q281-T284 PolarHBondContact O-N 3.34Å
282	V	96.2	Very high	90.8	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-71.1	-30.9	178.9	173.1	0	0	0	0	111.7	H200 T230 R233 I234 C278 T280 F295	H200-V282 PolarHBondContact NE2-O 2.94Å; T230-V282 HydrophobicContact CG2-CG1 4.16Å; R233-V282 HydrophobicContact CB-CG1 3.9Å; R233-V282 HydrophobicContact CB-CG2 3.93Å; I234-V282 HydrophobicContact CG1-CB 4.07Å; I234-V282 HydrophobicContact CG1-CG1 4.16Å; I234-V282 HydrophobicContact CG1-CG2 3.96Å; C278-V282 VanDerWaalsContact O-CG2 3.32Å; C278-V282 WeakPolarHBondContact O-CG2 3.38Å; C278-V282 PolarHBondContact O-N 2.04Å; T280-V282 VanDerWaalsContact C-N 3.35Å; T280-V282 PolarHBondContact O-N 3.02Å; V282-F295 HydrophobicContact CG1-CE1 4.47Å
283	A	95.1	Very high	90.4	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-84.7	-6	178.7	0	0	0	0	0	114.2	W201 V279 T280 Q281 A291 Q292 F295	W201-A283 WeakPolarHBondContact CZ2-O 3.42Å; V279-A283 WeakPolarHBondContact O-CB 3.16Å; V279-A283 PolarHBondContact O-N 3.13Å; V279-A283 VanDerWaalsContact O-N 3.08Å; T280-A283 CarbonylContact O-C 3.57Å; T280-A283 PolarHBondContact O-N 3.41Å; T280-A283 VanDerWaalsContact O-N 3.16Å; Q281-A283 VanDerWaalsContact C-N 3.32Å; A283-A291 HydrophobicContact CB-CB 3.94Å; A283-Q292 PolarHBondContact O-N 2.97Å; A283-F295 HydrophobicContact CB-CB 3.55Å; A283-F295 HydrophobicContact CB-CD1 3.81Å; A283-F295 HydrophobicContact CB-CG 3.78Å
284	T	91.4	Very high	90.2	Very high	32 Å²	32	39.1 Å²	39.1	20%	0.196	22%	0.215	C	C	.	.	S	Bend	trans	-86.5	117.1	172.6	-58.5	0	0	0	0	110.3	T280 Q281 R288	T280-T284 PolarHBondContact O-N 3.19Å; T280-T284 PolarHBondContact O-OG1 3.38Å; Q281-T284 PolarHBondContact O-N 3.34Å; T284-R288 HydrophobicContact CG2-CB 4.33Å; T284-R288 WeakPolarHBondContact CG2-O 3.5Å
285	R	89.7	Confident	90.1	Very high	54 Å²	54	37.9 Å²	37.9	20%	0.204	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-71	143.2	175.3	-161.5	175.6	-167.9	-143.7	4	110.5	W201 D205 G287 R288 E577 E579	W201-R285 HydrophobicContact CD2-CB 4.44Å; W201-R285 HydrophobicContact CD2-CG 4.09Å; W201-R285 HydrophobicContact CE3-CG 4.34Å; W201-R285 HydrophobicContact CG-CG 4.48Å; W201-R285 HydrophobicContact CH2-CB 4.2Å; W201-R285 HydrophobicContact CZ2-CB 3.88Å; W201-R285 HydrophobicContact CZ2-CG 4.42Å; D205-R285 IonicContact OD1-NH2 3.85Å; D205-R285 PolarHBondContact OD1-NH2 3.33Å; D205-R285 IonicContact OD2-CZ 2.79Å; D205-R285 IonicContact OD2-NH2 2.84Å; D205-R285 PolarHBondContact OD2-NH2 3.04Å; R285-G287 PolarHBondContact O-N 3.28Å; R285-R288 HydrophobicContact CB-CG 3.99Å; R285-R288 VanDerWaalsContact O-CB 3.28Å; R285-R288 WeakPolarHBondContact O-CB 3.44Å; R285-R288 PolarHBondContact O-N 3.43Å; R285-E577 VanDerWaalsContact CD-OE1 3.25Å; R285-E577 WeakPolarHBondContact CD-OE1 3.41Å; R285-E577 IonicContact CZ-OE1 3.68Å; R285-E577 IonicContact NE-OE1 2.71Å; R285-E577 IonicContact NH1-OE1 2.79Å; R285-E577 PolarHBondContact NH1-OE1 2.91Å; R285-E579 IonicContact NH1-OE2 2.71Å
286	P	87.7	Confident	90.1	Very high	34 Å²	34	36.4 Å²	36.4	22%	0.221	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	131.8	172.2	-29.7	36.1	0	0	0	112.1	V166 E198	V166-P286 HydrophobicContact CG1-CB 3.84Å; V166-P286 CarbonylContact O-C 3.56Å; E198-P286 WeakPolarHBondContact OE2-CG 3.49Å
287	G	80.1	Confident	90.1	Very high	22 Å²	22	36.4 Å²	36.4	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	0.2	-177.5	0	0	0	0	0	115.2	A167 R285	A167-G287 WeakPolarHBondContact O-CA 3.34Å; R285-G287 PolarHBondContact O-N 3.28Å
288	R	82.3	Confident	89.9	Confident	36 Å²	36	35.7 Å²	35.7	14%	0.136	20%	0.195	C	C	.	.			trans	-107.9	156.5	175.6	-59.1	-58.3	-54.1	-68	-23	111.8	T284 R285 W584 E586	T284-R288 HydrophobicContact CG2-CB 4.33Å; T284-R288 WeakPolarHBondContact CG2-O 3.5Å; R285-R288 HydrophobicContact CB-CG 3.99Å; R285-R288 VanDerWaalsContact O-CB 3.28Å; R285-R288 WeakPolarHBondContact O-CB 3.44Å; R285-R288 PolarHBondContact O-N 3.43Å; R288-W584 VanDerWaalsContact CZ-CD1 3.5Å; R288-W584 VanDerWaalsContact NH1-CD2 3.25Å; R288-W584 VanDerWaalsContact NH2-CB 3.34Å; R288-E586 IonicContact CZ-OE1 2.83Å; R288-E586 IonicContact NE-OE1 3.46Å; R288-E586 PolarHBondContact NE-OE1 3.23Å; R288-E586 IonicContact NH2-OE1 3.85Å; R288-E586 PolarHBondContact NH2-OE1 3.04Å; R288-E586 IonicContact NH2-OE2 3.19Å; R288-E586 PolarHBondContact NH2-OE2 2.98Å
289	I	76.3	Confident	90	Very high	114 Å²	114	35.7 Å²	35.7	59%	0.585	20%	0.195	S	C	*	.	S	Bend	trans	-99.3	-44.2	175.2	-56.4	179.3	0	0	0	109.7	E586 P587	I289-E586 PolarHBondContact N-OE1 3.48Å; I289-P587 HydrophobicContact CD1-CB 4.18Å; I289-P587 WeakPolarHBondContact CD1-O 3.47Å
290	S	81.3	Confident	90	Very high	55 Å²	55	35 Å²	35	39%	0.385	19%	0.19	S	C	.	.	S	Bend	trans	-86	143.4	179.6	-51	0	0	0	0	111.4	E586	S290-E586 WeakPolarHBondContact CB-OE2 3.37Å; S290-E586 PolarHBondContact N-OE2 2.93Å; S290-E586 PolarHBondContact OG-OE2 3.13Å
291	A	87.9	Confident	89.9	Confident	13 Å²	13	36.4 Å²	36.4	11%	0.107	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-74.1	155.5	168.7	0	0	0	0	0	111.1	T280 A283 E293	T280-A291 HydrophobicContact CG2-CB 3.6Å; T280-A291 WeakPolarHBondContact O-CB 3.34Å; A283-A291 HydrophobicContact CB-CB 3.94Å; A291-E293 PolarHBondContact O-N 3.46Å
292	Q	87.1	Confident	90	Very high	29 Å²	29	32.9 Å²	32.9	14%	0.136	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-69.9	120.6	164.5	-174.2	174.2	-13.1	0	0	109.2	Y204 A283 F295	Y204-Q292 PolarHBondContact OH-NE2 2.86Å; A283-Q292 PolarHBondContact O-N 2.97Å; Q292-F295 HydrophobicContact CB-CB 4.44Å; Q292-F295 HydrophobicContact CB-CD2 4.04Å; Q292-F295 HydrophobicContact CG-CD2 4.14Å
293	E	86.1	Confident	90.1	Very high	80 Å²	80	32.7 Å²	32.7	37%	0.374	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	145.3	175.2	-63.7	-66	165.1	0	0	110.2	A291 F295 L389 I415	A291-E293 PolarHBondContact O-N 3.46Å; E293-F295 PolarHBondContact O-N 3.16Å; E293-L389 HydrophobicContact CB-CD1 4.18Å; E293-I415 HydrophobicContact CB-CD1 3.95Å; E293-I415 HydrophobicContact CB-CG1 4.43Å; E293-I415 HydrophobicContact CG-CD1 3.79Å; E293-I415 HydrophobicContact CG-CG1 4.07Å
294	D	90.9	Very high	90.1	Very high	35 Å²	35	32.5 Å²	32.5	19%	0.187	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	37.8	-179.8	-78.7	-19.4	0	0	0	114.4	L296 P297 T298 Y327	D294-L296 PolarHBondContact O-N 3.02Å; D294-P297 HydrophobicContact CB-CB 4.14Å; D294-P297 HydrophobicContact CB-CG 4.13Å; D294-P297 VanDerWaalsContact O-CD 3.27Å; D294-P297 WeakPolarHBondContact O-CD 3.3Å; D294-T298 VanDerWaalsContact O-CB 3.26Å; D294-T298 WeakPolarHBondContact O-CB 3.47Å; D294-T298 PolarHBondContact O-N 3.42Å; D294-T298 PolarHBondContact O-OG1 2.78Å; D294-Y327 PolarHBondContact OD1-OH 2.83Å; D294-Y327 VanDerWaalsContact OD1-OH 3.11Å; D294-Y327 WeakPolarHBondContact OD2-CE2 3.39Å; D294-Y327 VanDerWaalsContact OD2-CZ 3.31Å; D294-Y327 PolarHBondContact OD2-OH 2.73Å
295	F	93.9	Very high	90	Very high	9 Å²	9	32.9 Å²	32.9	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-54.4	-47.5	-173.6	-173.9	-127.2	0	0	0	113.6	H200 W201 Y204 T230 V282 A283 Q292 E293 Q299	H200-F295 AromaticContact CD2-CE1 3.95Å; W201-F295 HydrophobicContact CD2-CZ 4.49Å; W201-F295 HydrophobicContact CE3-CE2 4.32Å; W201-F295 HydrophobicContact CE3-CZ 4.15Å; W201-F295 HydrophobicContact CH2-CD2 4.09Å; W201-F295 HydrophobicContact CH2-CE1 4.42Å; W201-F295 AromaticContact CH2-CE2 3.35Å; W201-F295 HydrophobicContact CH2-CE2 3.35Å; W201-F295 AromaticContact CH2-CZ 3.54Å; W201-F295 HydrophobicContact CH2-CZ 3.54Å; W201-F295 HydrophobicContact CZ2-CE1 4.48Å; W201-F295 HydrophobicContact CZ2-CE2 4.17Å; W201-F295 AromaticContact CZ2-CZ 3.92Å; W201-F295 HydrophobicContact CZ2-CZ 3.92Å; W201-F295 HydrophobicContact CZ3-CD2 4.5Å; W201-F295 AromaticContact CZ3-CE2 3.45Å; W201-F295 HydrophobicContact CZ3-CE2 3.45Å; W201-F295 VanDerWaalsContact CZ3-CE2 3.45Å; W201-F295 AromaticContact CZ3-CZ 3.67Å; W201-F295 HydrophobicContact CZ3-CZ 3.67Å; Y204-F295 AromaticContact CD2-CE2 3.6Å; Y204-F295 HydrophobicContact CD2-CE2 3.6Å; Y204-F295 HydrophobicContact CD2-CZ 4.05Å; Y204-F295 HydrophobicContact CE2-CD2 4.24Å; Y204-F295 AromaticContact CE2-CE2 3.58Å; Y204-F295 HydrophobicContact CE2-CE2 3.58Å; Y204-F295 HydrophobicContact CE2-CZ 4.45Å; Y204-F295 HydrophobicContact CG-CE2 4.49Å; T230-F295 HydrophobicContact CG2-CD1 3.98Å; T230-F295 HydrophobicContact CG2-CE1 3.91Å; V282-F295 HydrophobicContact CG1-CE1 4.47Å; A283-F295 HydrophobicContact CB-CB 3.55Å; A283-F295 HydrophobicContact CB-CD1 3.81Å; A283-F295 HydrophobicContact CB-CG 3.78Å; Q292-F295 HydrophobicContact CB-CB 4.44Å; Q292-F295 HydrophobicContact CB-CD2 4.04Å; Q292-F295 HydrophobicContact CG-CD2 4.14Å; E293-F295 PolarHBondContact O-N 3.16Å; F295-Q299 VanDerWaalsContact O-CG 3.24Å; F295-Q299 WeakPolarHBondContact O-CG 3.39Å; F295-Q299 PolarHBondContact O-N 2.85Å
296	L	96.2	Very high	90.2	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-47.9	177.7	177.7	67.2	0	0	0	112.7	V227 T230 L231 D294 T298 Q299 L300 F326 I359 Y362	V227-L296 HydrophobicContact CG1-CD1 4.13Å; T230-L296 HydrophobicContact CG2-CD1 4.43Å; L231-L296 HydrophobicContact CD2-CD1 4.26Å; L231-L296 HydrophobicContact CD2-CD2 3.74Å; L231-L296 HydrophobicContact CG-CD1 4.32Å; D294-L296 PolarHBondContact O-N 3.02Å; L296-T298 VanDerWaalsContact C-N 3.34Å; L296-T298 PolarHBondContact O-N 3.36Å; L296-Q299 PolarHBondContact O-N 2.87Å; L296-L300 PolarHBondContact O-N 3.47Å; L296-L300 VanDerWaalsContact O-N 3.16Å; L296-F326 HydrophobicContact CD2-CZ 3.92Å; L296-F326 HydrophobicContact CG-CZ 4.38Å; L296-I359 HydrophobicContact CD2-CD1 4.4Å; L296-Y362 HydrophobicContact CD2-CD1 3.97Å; L296-Y362 HydrophobicContact CD2-CE1 3.77Å
297	P	95.1	Very high	90.6	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.032	16%	0.155	C	C	.	.	H	α-helix	trans	-53.1	-46.1	172.6	-27.6	32.1	0	0	0	113.9	D294 Q299 L300 E301 F323 F326 Y327	D294-P297 HydrophobicContact CB-CB 4.14Å; D294-P297 HydrophobicContact CB-CG 4.13Å; D294-P297 VanDerWaalsContact O-CD 3.27Å; D294-P297 WeakPolarHBondContact O-CD 3.3Å; P297-Q299 VanDerWaalsContact C-N 3.33Å; P297-Q299 PolarHBondContact O-N 3.38Å; P297-L300 WeakPolarHBondContact O-CA 3.29Å; P297-L300 WeakPolarHBondContact O-CB 3.43Å; P297-L300 PolarHBondContact O-N 2.83Å; P297-E301 PolarHBondContact O-N 3.02Å; P297-F323 HydrophobicContact CB-CD2 4.31Å; P297-F323 HydrophobicContact CB-CE2 4.04Å; P297-F323 WeakPolarHBondContact O-CD2 3.5Å; P297-F326 HydrophobicContact CG-CB 4.35Å; P297-F326 HydrophobicContact CG-CD1 3.84Å; P297-F326 HydrophobicContact CG-CD2 4.41Å; P297-F326 HydrophobicContact CG-CE1 4.2Å; P297-F326 HydrophobicContact CG-CG 3.96Å; P297-Y327 HydrophobicContact CB-CE2 4.35Å
298	T	92.3	Very high	91.2	Very high	29 Å²	29	30.5 Å²	30.5	18%	0.178	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-41.8	179.3	-56.3	0	0	0	0	111.4	D294 L296 L300 E301 H302	D294-T298 VanDerWaalsContact O-CB 3.26Å; D294-T298 WeakPolarHBondContact O-CB 3.47Å; D294-T298 PolarHBondContact O-N 3.42Å; D294-T298 PolarHBondContact O-OG1 2.78Å; L296-T298 VanDerWaalsContact C-N 3.34Å; L296-T298 PolarHBondContact O-N 3.36Å; T298-L300 VanDerWaalsContact C-N 3.31Å; T298-L300 PolarHBondContact O-N 3.07Å; T298-E301 WeakPolarHBondContact O-CB 3.11Å; T298-E301 PolarHBondContact O-N 3.25Å; T298-H302 PolarHBondContact O-CD2 2.53Å; T298-H302 PolarHBondContact O-N 3.48Å
299	Q	97	Very high	91.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-37.4	174.2	-70.1	177.5	40.2	0	0	112.8	Y204 W223 C226 V227 T230 F295 L296 P297 L303	Y204-Q299 HydrophobicContact CD2-CG 4.27Å; Y204-Q299 HydrophobicContact CE2-CG 4.22Å; W223-Q299 HydrophobicContact CE3-CB 4.34Å; W223-Q299 HydrophobicContact CE3-CG 4.22Å; W223-Q299 HydrophobicContact CZ3-CB 4.4Å; W223-Q299 HydrophobicContact CZ3-CG 3.87Å; C226-Q299 VanDerWaalsContact SG-CD 3.6Å; C226-Q299 PolarHBondContact SG-OE1 3Å; V227-Q299 VanDerWaalsContact CA-OE1 3.32Å; V227-Q299 HydrophobicContact CG2-CB 3.7Å; T230-Q299 PolarHBondContact OG1-NE2 3.31Å; T230-Q299 PolarHBondContact OG1-OE1 3.29Å; F295-Q299 VanDerWaalsContact O-CG 3.24Å; F295-Q299 WeakPolarHBondContact O-CG 3.39Å; F295-Q299 PolarHBondContact O-N 2.85Å; L296-Q299 PolarHBondContact O-N 2.87Å; P297-Q299 VanDerWaalsContact C-N 3.33Å; P297-Q299 PolarHBondContact O-N 3.38Å; Q299-L303 VanDerWaalsContact O-CB 3.23Å; Q299-L303 WeakPolarHBondContact O-CB 3.41Å; Q299-L303 PolarHBondContact O-N 2.78Å
300	L	96.8	Very high	92.5	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-68.4	-37.8	176.2	-65.9	172	0	0	0	111.3	V227 L296 P297 T298 L303 H304 T319 F323 F326 I359	V227-L300 HydrophobicContact CG1-CD2 4.04Å; V227-L300 HydrophobicContact CG2-CD2 4.16Å; L296-L300 PolarHBondContact O-N 3.47Å; L296-L300 VanDerWaalsContact O-N 3.16Å; P297-L300 WeakPolarHBondContact O-CA 3.29Å; P297-L300 WeakPolarHBondContact O-CB 3.43Å; P297-L300 PolarHBondContact O-N 2.83Å; T298-L300 VanDerWaalsContact C-N 3.31Å; T298-L300 PolarHBondContact O-N 3.07Å; L300-L303 PolarHBondContact O-N 3.02Å; L300-H304 PolarHBondContact O-CD2 3.49Å; L300-H304 VanDerWaalsContact O-CD2 3.23Å; L300-H304 PolarHBondContact O-N 3.16Å; L300-T319 HydrophobicContact CB-CG2 4.21Å; L300-T319 HydrophobicContact CD2-CG2 4.03Å; L300-T319 VanDerWaalsContact O-CG2 3.25Å; L300-T319 WeakPolarHBondContact O-CG2 3.37Å; L300-F323 HydrophobicContact CB-CB 4.29Å; L300-F323 HydrophobicContact CB-CD2 4.37Å; L300-F326 HydrophobicContact CD1-CD2 4.26Å; L300-F326 HydrophobicContact CD1-CE2 3.66Å; L300-I359 HydrophobicContact CD1-CD1 4.23Å; L300-I359 HydrophobicContact CD1-CG2 4.37Å; L300-I359 HydrophobicContact CD2-CD1 4.32Å
301	E	91.9	Very high	93	Very high	81 Å²	81	30.7 Å²	30.7	38%	0.379	17%	0.168	S	C	.	.	H	α-helix	trans	-57.6	-57.4	174.2	-171.4	177	-174.5	0	0	111	P297 T298 L303 H304 I305 F323	P297-E301 PolarHBondContact O-N 3.02Å; T298-E301 WeakPolarHBondContact O-CB 3.11Å; T298-E301 PolarHBondContact O-N 3.25Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 3.05Å; E301-H304 WeakPolarHBondContact CA-CD2 3.33Å; E301-H304 PolarHBondContact O-CD2 3.41Å; E301-H304 PolarHBondContact O-N 3.37Å; E301-H304 PolarHBondContact O-NE2 3.22Å; E301-I305 HydrophobicContact CG-CD1 4.09Å; E301-I305 WeakPolarHBondContact O-CG1 3.45Å; E301-I305 PolarHBondContact O-N 3.06Å; E301-F323 HydrophobicContact CB-CD2 4.36Å; E301-F323 HydrophobicContact CB-CE2 4.2Å
302	H	94.6	Very high	93.4	Very high	38 Å²	38	33 Å²	33	18%	0.176	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-40	176.3	-75	-76	0	0	0	112.6	E211 W223 T298 I305 A306	E211-H302 VanDerWaalsContact CD-ND1 3.33Å; E211-H302 IonicContact OE1-CE1 3.92Å; E211-H302 IonicContact OE1-ND1 3.96Å; E211-H302 PolarHBondContact OE1-ND1 3.05Å; E211-H302 IonicContact OE2-CE1 3.55Å; E211-H302 IonicContact OE2-CG 3.75Å; E211-H302 IonicContact OE2-ND1 3.13Å; E211-H302 PolarHBondContact OE2-ND1 2.99Å; W223-H302 HydrophobicContact CD2-CB 3.81Å; W223-H302 AromaticContact CE2-CG 3.82Å; W223-H302 HydrophobicContact CE3-CB 4.46Å; W223-H302 HydrophobicContact CG-CB 4.15Å; W223-H302 HydrophobicContact CH2-CB 4.36Å; W223-H302 AromaticContact CH2-CD2 4Å; W223-H302 HydrophobicContact CZ2-CB 3.66Å; W223-H302 AromaticContact CZ2-CD2 3.79Å; W223-H302 AromaticContact CZ2-CG 3.57Å; W223-H302 AromaticContact CZ2-ND1 3.98Å; T298-H302 PolarHBondContact O-CD2 2.53Å; T298-H302 PolarHBondContact O-N 3.48Å; H302-I305 PolarHBondContact O-N 3.31Å; H302-A306 WeakPolarHBondContact O-CB 3.47Å; H302-A306 PolarHBondContact O-N 2.94Å
303	L	97.8	Very high	93.6	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-48.3	-179.6	178.6	56.1	0	0	0	112.5	A220 W223 R224 V227 Q299 L300 E301 I305 A306 Q307 T319	A220-L303 WeakPolarHBondContact O-CD1 3.35Å; W223-L303 HydrophobicContact CB-CB 3.95Å; W223-L303 HydrophobicContact CB-CD1 3.76Å; W223-L303 HydrophobicContact CB-CG 4.4Å; R224-L303 HydrophobicContact CB-CD1 3.96Å; R224-L303 HydrophobicContact CB-CD2 4.33Å; V227-L303 HydrophobicContact CG2-CD2 4.24Å; Q299-L303 VanDerWaalsContact O-CB 3.23Å; Q299-L303 WeakPolarHBondContact O-CB 3.41Å; Q299-L303 PolarHBondContact O-N 2.78Å; L300-L303 PolarHBondContact O-N 3.02Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 3.05Å; L303-I305 VanDerWaalsContact C-N 3.31Å; L303-I305 PolarHBondContact O-N 3.39Å; L303-A306 PolarHBondContact O-N 3.3Å; L303-Q307 HydrophobicContact CD1-CG 3.96Å; L303-Q307 HydrophobicContact CG-CG 4.45Å; L303-Q307 WeakPolarHBondContact O-CB 3.48Å; L303-Q307 VanDerWaalsContact O-CG 3.26Å; L303-Q307 WeakPolarHBondContact O-CG 3.34Å; L303-Q307 PolarHBondContact O-N 2.04Å; L303-T319 HydrophobicContact CB-CG2 3.99Å; L303-T319 HydrophobicContact CD2-CG2 3.93Å; L303-T319 HydrophobicContact CG-CG2 3.9Å
304	H	94.8	Very high	93.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-67.9	-35	-178.5	76.9	79.2	0	0	0	111.3	L300 E301 Q307 F308 A316 T319 L320 Y340	L300-H304 PolarHBondContact O-CD2 3.49Å; L300-H304 VanDerWaalsContact O-CD2 3.23Å; L300-H304 PolarHBondContact O-N 3.16Å; E301-H304 WeakPolarHBondContact CA-CD2 3.33Å; E301-H304 PolarHBondContact O-CD2 3.41Å; E301-H304 PolarHBondContact O-N 3.37Å; E301-H304 PolarHBondContact O-NE2 3.22Å; H304-Q307 PolarHBondContact O-N 2.62Å; H304-F308 WeakPolarHBondContact O-CB 3.31Å; H304-F308 PolarHBondContact O-N 3.38Å; H304-A316 HydrophobicContact CB-CB 4.45Å; H304-A316 WeakPolarHBondContact O-CB 3.37Å; H304-T319 HydrophobicContact CB-CG2 3.8Å; H304-L320 HydrophobicContact CB-CB 4.25Å; H304-Y340 AromaticContact ND1-CE2 3.79Å; H304-Y340 AromaticContact ND1-CZ 3.79Å; H304-Y340 PolarHBondContact ND1-OH 2.71Å
305	I	91	Very high	94	Very high	40 Å²	40	30.3 Å²	30.3	21%	0.205	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-48	174.9	-65.5	170	0	0	0	110.3	E301 H302 L303 F308 K309	E301-I305 HydrophobicContact CG-CD1 4.09Å; E301-I305 WeakPolarHBondContact O-CG1 3.45Å; E301-I305 PolarHBondContact O-N 3.06Å; H302-I305 PolarHBondContact O-N 3.31Å; L303-I305 VanDerWaalsContact C-N 3.31Å; L303-I305 PolarHBondContact O-N 3.39Å; I305-F308 PolarHBondContact O-N 3.43Å; I305-K309 HydrophobicContact CG2-CD 4.03Å; I305-K309 WeakPolarHBondContact O-CB 3.29Å; I305-K309 WeakPolarHBondContact O-CG 3.32Å; I305-K309 PolarHBondContact O-N 2.96Å
306	A	93.2	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-40.5	179.2	0	0	0	0	0	112.3	W216 A219 A220 H302 L303 K309 S310	W216-A306 HydrophobicContact CE3-CB 4.45Å; A219-A306 HydrophobicContact CB-CB 4.13Å; A220-A306 HydrophobicContact CB-CB 3.97Å; H302-A306 WeakPolarHBondContact O-CB 3.47Å; H302-A306 PolarHBondContact O-N 2.94Å; L303-A306 PolarHBondContact O-N 3.3Å; A306-K309 PolarHBondContact O-N 2.95Å; A306-S310 WeakPolarHBondContact O-CB 3.25Å; A306-S310 PolarHBondContact O-N 3.35Å; A306-S310 PolarHBondContact O-OG 2.82Å
307	Q	96.2	Very high	94	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-45.8	174.6	-75.8	171.1	-14.5	0	0	111.7	A220 L303 H304 S310 G311 D312 G315 A316 T319	A220-Q307 HydrophobicContact CB-CG 4.04Å; L303-Q307 HydrophobicContact CD1-CG 3.96Å; L303-Q307 HydrophobicContact CG-CG 4.45Å; L303-Q307 WeakPolarHBondContact O-CB 3.48Å; L303-Q307 VanDerWaalsContact O-CG 3.26Å; L303-Q307 WeakPolarHBondContact O-CG 3.34Å; L303-Q307 PolarHBondContact O-N 2.04Å; H304-Q307 PolarHBondContact O-N 2.62Å; Q307-S310 WeakPolarHBondContact CA-OG 3.3Å; Q307-S310 PolarHBondContact O-N 2.9Å; Q307-S310 PolarHBondContact O-OG 3.38Å; Q307-G311 PolarHBondContact O-N 3.28Å; Q307-G311 VanDerWaalsContact O-N 3.11Å; Q307-D312 HydrophobicContact CB-CB 4.23Å; Q307-D312 PolarHBondContact O-N 3.37Å; Q307-G315 PolarHBondContact OE1-O 3.43Å; Q307-G315 VanDerWaalsContact OE1-O 3.04Å; Q307-A316 HydrophobicContact CB-CB 3.88Å; Q307-A316 VanDerWaalsContact OE1-CA 3.29Å; Q307-A316 VanDerWaalsContact OE1-N 3.08Å; Q307-T319 PolarHBondContact OE1-OG1 2.99Å
308	F	91.9	Very high	94	Very high	56 Å²	56	33.4 Å²	33.4	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-48	177.6	-179.3	-104.2	0	0	0	111.7	H304 I305 S310 G311 V313 A316 L339 Y340 T343	H304-F308 WeakPolarHBondContact O-CB 3.31Å; H304-F308 PolarHBondContact O-N 3.38Å; I305-F308 PolarHBondContact O-N 3.43Å; F308-S310 VanDerWaalsContact C-N 3.27Å; F308-S310 PolarHBondContact O-N 3.34Å; F308-G311 PolarHBondContact O-N 2.81Å; F308-V313 HydrophobicContact CD2-CG1 4.32Å; F308-V313 HydrophobicContact CD2-CG2 4.24Å; F308-V313 HydrophobicContact CE2-CG1 4.47Å; F308-V313 HydrophobicContact CE2-CG2 4.41Å; F308-A316 HydrophobicContact CB-CB 3.9Å; F308-L339 HydrophobicContact CE1-CD2 4.37Å; F308-L339 HydrophobicContact CZ-CD2 4.12Å; F308-L339 HydrophobicContact CZ-CG 4.31Å; F308-Y340 HydrophobicContact CB-CE1 3.83Å; F308-Y340 AromaticContact CD1-CE1 3.87Å; F308-Y340 HydrophobicContact CD1-CE1 3.87Å; F308-Y340 AromaticContact CD2-CD1 3.33Å; F308-Y340 HydrophobicContact CD2-CD1 3.33Å; F308-Y340 AromaticContact CD2-CE1 3.22Å; F308-Y340 HydrophobicContact CD2-CE1 3.22Å; F308-Y340 HydrophobicContact CD2-CG 4.18Å; F308-Y340 AromaticContact CD2-CZ 3.97Å; F308-Y340 HydrophobicContact CE1-CE1 4.22Å; F308-Y340 AromaticContact CE2-CD1 3.44Å; F308-Y340 HydrophobicContact CE2-CD1 3.44Å; F308-Y340 VanDerWaalsContact CE2-CD1 3.44Å; F308-Y340 AromaticContact CE2-CE1 3.63Å; F308-Y340 HydrophobicContact CE2-CE1 3.63Å; F308-Y340 HydrophobicContact CE2-CG 4.47Å; F308-Y340 AromaticContact CG-CD1 3.98Å; F308-Y340 HydrophobicContact CG-CD1 3.98Å; F308-Y340 AromaticContact CG-CE1 3.35Å; F308-Y340 HydrophobicContact CG-CE1 3.35Å; F308-Y340 AromaticContact CG-CZ 3.83Å; F308-Y340 HydrophobicContact CZ-CD1 4.18Å; F308-Y340 HydrophobicContact CZ-CE1 4.11Å; F308-T343 HydrophobicContact CE2-CG2 4.27Å
309	K	91.5	Very high	94.2	Very high	107 Å²	107	32.6 Å²	32.6	47%	0.465	19%	0.185	S	C	.	.	H	α-helix	trans	-67.1	-24.8	-180	-71.1	-179.7	179.1	172.5	0	113.8	W216 I305 A306	W216-K309 HydrophobicContact CB-CB 4.01Å; W216-K309 HydrophobicContact CD2-CB 3.62Å; W216-K309 HydrophobicContact CD2-CD 3.53Å; W216-K309 HydrophobicContact CD2-CG 4.24Å; W216-K309 VanDerWaalsContact CE2-CD 3.48Å; W216-K309 HydrophobicContact CE3-CB 4.02Å; W216-K309 HydrophobicContact CE3-CD 3.54Å; W216-K309 HydrophobicContact CE3-CG 4.42Å; W216-K309 HydrophobicContact CG-CB 3.56Å; W216-K309 HydrophobicContact CG-CD 4.35Å; W216-K309 HydrophobicContact CH2-CD 3.58Å; W216-K309 HydrophobicContact CZ2-CD 3.53Å; W216-K309 HydrophobicContact CZ3-CD 3.55Å; I305-K309 HydrophobicContact CG2-CD 4.03Å; I305-K309 WeakPolarHBondContact O-CB 3.29Å; I305-K309 WeakPolarHBondContact O-CG 3.32Å; I305-K309 PolarHBondContact O-N 2.96Å; A306-K309 PolarHBondContact O-N 2.95Å
310	S	95.3	Very high	94.2	Very high	46 Å²	46	32.6 Å²	32.6	32%	0.322	19%	0.185	S	C	.	.	H	α-helix	trans	-87.3	-5.4	173	57.1	0	0	0	0	113.9	A306 Q307 F308	A306-S310 WeakPolarHBondContact O-CB 3.25Å; A306-S310 PolarHBondContact O-N 3.35Å; A306-S310 PolarHBondContact O-OG 2.82Å; Q307-S310 WeakPolarHBondContact CA-OG 3.3Å; Q307-S310 PolarHBondContact O-N 2.9Å; Q307-S310 PolarHBondContact O-OG 3.38Å; F308-S310 VanDerWaalsContact C-N 3.27Å; F308-S310 PolarHBondContact O-N 3.34Å
311	G	92.5	Very high	94.1	Very high	57 Å²	57	34.1 Å²	34.1	59%	0.588	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.1	2.4	176.8	0	0	0	0	0	115.5	Q307 F308 V313	Q307-G311 PolarHBondContact O-N 3.28Å; Q307-G311 VanDerWaalsContact O-N 3.11Å; F308-G311 PolarHBondContact O-N 2.81Å; G311-V313 VanDerWaalsContact C-N 3.31Å; G311-V313 PolarHBondContact O-N 2.72Å; G311-V313 VanDerWaalsContact O-N 3.11Å
312	D	94.6	Very high	94.4	Very high	60 Å²	60	30.2 Å²	30.2	32%	0.321	17%	0.172	S	C	.	.			trans	-83.5	70.3	173.6	-176.3	10.9	0	0	0	110.8	R224 Q307 S314 G315 A316	R224-D312 IonicContact NH2-OD2 2.62Å; R224-D312 PolarHBondContact NH2-OD2 3.22Å; R224-D312 VanDerWaalsContact NH2-OD2 3.13Å; Q307-D312 HydrophobicContact CB-CB 4.23Å; Q307-D312 PolarHBondContact O-N 3.37Å; D312-S314 PolarHBondContact O-N 3.29Å; D312-G315 PolarHBondContact O-N 3.34Å; D312-G315 WeakPolarHBondContact OD1-CA 3Å; D312-G315 PolarHBondContact OD1-N 3.41Å; D312-A316 WeakPolarHBondContact O-CB 3.49Å; D312-A316 PolarHBondContact O-N 2.84Å
313	V	92.8	Very high	94.5	Very high	21 Å²	21	29 Å²	29	13%	0.127	17%	0.166	C	C	.	.	H	α-helix	trans	-68.2	-34.9	-174.8	-170.8	0	0	0	0	112.2	F308 G311 A316 L317 T343 L344	F308-V313 HydrophobicContact CD2-CG1 4.32Å; F308-V313 HydrophobicContact CD2-CG2 4.24Å; F308-V313 HydrophobicContact CE2-CG1 4.47Å; F308-V313 HydrophobicContact CE2-CG2 4.41Å; G311-V313 VanDerWaalsContact C-N 3.31Å; G311-V313 PolarHBondContact O-N 2.72Å; G311-V313 VanDerWaalsContact O-N 3.11Å; V313-A316 PolarHBondContact O-N 2.95Å; V313-L317 WeakPolarHBondContact O-CB 3.04Å; V313-L317 PolarHBondContact O-N 2.96Å; V313-T343 HydrophobicContact CG1-CG2 4.32Å; V313-T343 HydrophobicContact CG2-CG2 4.02Å; V313-L344 HydrophobicContact CB-CD2 3.96Å; V313-L344 HydrophobicContact CB-CG 4.2Å; V313-L344 HydrophobicContact CG1-CD1 4.03Å; V313-L344 HydrophobicContact CG1-CD2 4Å; V313-L344 HydrophobicContact CG1-CG 3.65Å
314	S	91.9	Very high	94.4	Very high	57 Å²	57	29.7 Å²	29.7	40%	0.399	17%	0.17	S	C	.	.	H	α-helix	trans	-65.4	-43.5	174.8	-94.1	0	0	0	0	112	D312 L317 Q318 I353	D312-S314 PolarHBondContact O-N 3.29Å; S314-L317 PolarHBondContact O-N 3.49Å; S314-Q318 PolarHBondContact O-N 2.96Å; S314-Q318 VanDerWaalsContact O-N 3.08Å; S314-I353 WeakPolarHBondContact OG-CD1 3.28Å
315	G	93.9	Very high	94.5	Very high	11 Å²	11	32.7 Å²	32.7	11%	0.113	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-48.5	172.9	0	0	0	0	0	111.1	Q307 D312 L317 Q318 T319	Q307-G315 PolarHBondContact OE1-O 3.43Å; Q307-G315 VanDerWaalsContact OE1-O 3.04Å; D312-G315 PolarHBondContact O-N 3.34Å; D312-G315 WeakPolarHBondContact OD1-CA 3Å; D312-G315 PolarHBondContact OD1-N 3.41Å; G315-L317 VanDerWaalsContact C-N 3.3Å; G315-L317 PolarHBondContact O-N 2.99Å; G315-Q318 PolarHBondContact O-N 3.44Å; G315-Q318 VanDerWaalsContact O-N 3.12Å; G315-T319 PolarHBondContact O-N 2.96Å; G315-T319 PolarHBondContact O-OG1 3.33Å
316	A	94.4	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-42.7	179.1	0	0	0	0	0	112.1	H304 Q307 F308 D312 V313 T319 L320 Y340	H304-A316 HydrophobicContact CB-CB 4.45Å; H304-A316 WeakPolarHBondContact O-CB 3.37Å; Q307-A316 HydrophobicContact CB-CB 3.88Å; Q307-A316 VanDerWaalsContact OE1-CA 3.29Å; Q307-A316 VanDerWaalsContact OE1-N 3.08Å; F308-A316 HydrophobicContact CB-CB 3.9Å; D312-A316 WeakPolarHBondContact O-CB 3.49Å; D312-A316 PolarHBondContact O-N 2.84Å; V313-A316 PolarHBondContact O-N 2.95Å; A316-T319 PolarHBondContact O-N 2.85Å; A316-L320 WeakPolarHBondContact O-CB 3.44Å; A316-L320 PolarHBondContact O-N 3.38Å; A316-Y340 HydrophobicContact CB-CD2 3.97Å; A316-Y340 HydrophobicContact CB-CE2 3.67Å
317	L	94.3	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-43	176.8	-172.3	73.1	0	0	0	112.3	V313 S314 G315 R321 L337 Y341 L344 I353	V313-L317 WeakPolarHBondContact O-CB 3.04Å; V313-L317 PolarHBondContact O-N 2.96Å; S314-L317 PolarHBondContact O-N 3.49Å; G315-L317 VanDerWaalsContact C-N 3.3Å; G315-L317 PolarHBondContact O-N 2.99Å; L317-R321 WeakPolarHBondContact O-CB 3.43Å; L317-R321 WeakPolarHBondContact O-CG 3.33Å; L317-R321 PolarHBondContact O-N 3.25Å; L317-L337 HydrophobicContact CD1-CD1 3.57Å; L317-L337 HydrophobicContact CD1-CG 4.39Å; L317-Y341 HydrophobicContact CD1-CD1 4.16Å; L317-Y341 HydrophobicContact CD1-CE1 3.85Å; L317-Y341 HydrophobicContact CD1-CE2 4.4Å; L317-Y341 HydrophobicContact CD2-CD1 4.15Å; L317-Y341 HydrophobicContact CD2-CE1 3.76Å; L317-Y341 HydrophobicContact CG-CE1 4.39Å; L317-L344 HydrophobicContact CD2-CD1 4.06Å; L317-I353 HydrophobicContact CD2-CB 4.09Å; L317-I353 HydrophobicContact CD2-CD1 3.86Å; L317-I353 HydrophobicContact CD2-CG1 4.46Å; L317-I353 HydrophobicContact CD2-CG2 4.35Å
318	Q	95.4	Very high	94.7	Very high	83 Å²	83	37.4 Å²	37.4	39%	0.388	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-47.9	175.8	174.5	166.7	65.6	0	0	111.5	S314 G315 R321 S322 I353 H354	S314-Q318 PolarHBondContact O-N 2.96Å; S314-Q318 VanDerWaalsContact O-N 3.08Å; G315-Q318 PolarHBondContact O-N 3.44Å; G315-Q318 VanDerWaalsContact O-N 3.12Å; Q318-R321 PolarHBondContact O-N 3.36Å; Q318-S322 PolarHBondContact O-N 3.02Å; Q318-S322 PolarHBondContact O-OG 3.39Å; Q318-I353 HydrophobicContact CB-CG2 3.69Å; Q318-H354 WeakPolarHBondContact CG-O 3.4Å; Q318-H354 PolarHBondContact NE2-O 3.23Å; Q318-H354 VanDerWaalsContact NE2-O 3.15Å
319	T	97.1	Very high	94.6	Very high	13 Å²	13	41.5 Å²	41.5	8%	0.08	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-40.8	-179.3	-65.2	0	0	0	0	111.6	L300 L303 H304 Q307 G315 A316 S322 F323	L300-T319 HydrophobicContact CB-CG2 4.21Å; L300-T319 HydrophobicContact CD2-CG2 4.03Å; L300-T319 VanDerWaalsContact O-CG2 3.25Å; L300-T319 WeakPolarHBondContact O-CG2 3.37Å; L303-T319 HydrophobicContact CB-CG2 3.99Å; L303-T319 HydrophobicContact CD2-CG2 3.93Å; L303-T319 HydrophobicContact CG-CG2 3.9Å; H304-T319 HydrophobicContact CB-CG2 3.8Å; Q307-T319 PolarHBondContact OE1-OG1 2.99Å; G315-T319 PolarHBondContact O-N 2.96Å; G315-T319 PolarHBondContact O-OG1 3.33Å; A316-T319 PolarHBondContact O-N 2.85Å; T319-S322 CarbonylContact O-C 3.53Å; T319-S322 WeakPolarHBondContact O-CA 3.44Å; T319-S322 VanDerWaalsContact O-CB 3.28Å; T319-S322 WeakPolarHBondContact O-CB 3.26Å; T319-S322 PolarHBondContact O-N 3.24Å; T319-S322 VanDerWaalsContact O-N 3.11Å; T319-F323 PolarHBondContact O-N 3.29Å
320	L	95.5	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-40.2	175.5	-178	56.3	0	0	0	112.1	H304 A316 S322 F323 L324 N336 L337 Y340	H304-L320 HydrophobicContact CB-CB 4.25Å; A316-L320 WeakPolarHBondContact O-CB 3.44Å; A316-L320 PolarHBondContact O-N 3.38Å; L320-S322 VanDerWaalsContact C-N 3.26Å; L320-S322 PolarHBondContact O-N 3.49Å; L320-F323 HydrophobicContact CD1-CD1 4.48Å; L320-F323 WeakPolarHBondContact O-CB 3.46Å; L320-F323 PolarHBondContact O-N 3.44Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.88Å; L320-N336 HydrophobicContact CD2-CB 3.79Å; L320-L337 HydrophobicContact CD2-CB 3.84Å; L320-L337 HydrophobicContact CD2-CD1 4Å; L320-L337 HydrophobicContact CG-CB 4.48Å; L320-L337 HydrophobicContact CG-CD1 4.09Å; L320-Y340 HydrophobicContact CB-CD2 4.48Å; L320-Y340 HydrophobicContact CB-CE2 4.24Å; L320-Y340 HydrophobicContact CD2-CD2 3.7Å; L320-Y340 HydrophobicContact CD2-CE2 3.6Å
321	R	95.7	Very high	94.2	Very high	36 Å²	36	46.3 Å²	46.3	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-33.4	171.6	-78.1	-179	174.8	-165.4	9.4	112.3	L317 Q318 L337 Y341 S350 H351 I353 P355	L317-R321 WeakPolarHBondContact O-CB 3.43Å; L317-R321 WeakPolarHBondContact O-CG 3.33Å; L317-R321 PolarHBondContact O-N 3.25Å; Q318-R321 PolarHBondContact O-N 3.36Å; R321-L337 HydrophobicContact CG-CD1 3.88Å; R321-Y341 VanDerWaalsContact CZ-OH 3.22Å; R321-Y341 PolarHBondContact NE-OH 2.99Å; R321-Y341 PolarHBondContact NH2-OH 3.39Å; R321-S350 PolarHBondContact NH2-O 3.08Å; R321-H351 PolarHBondContact NH1-O 3.48Å; R321-H351 VanDerWaalsContact NH1-O 3.11Å; R321-I353 WeakPolarHBondContact CD-O 3.43Å; R321-I353 PolarHBondContact NE-O 2.8Å; R321-I353 VanDerWaalsContact NH1-C 3.27Å; R321-I353 PolarHBondContact NH1-O 3.31Å; R321-P355 HydrophobicContact CB-CB 4.47Å; R321-P355 HydrophobicContact CB-CG 4.01Å
322	S	97.3	Very high	93.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.9	-41.5	171.4	-77.9	0	0	0	0	113	Q318 T319 L320 L324 L325 A356	Q318-S322 PolarHBondContact O-N 3.02Å; Q318-S322 PolarHBondContact O-OG 3.39Å; T319-S322 CarbonylContact O-C 3.53Å; T319-S322 WeakPolarHBondContact O-CA 3.44Å; T319-S322 VanDerWaalsContact O-CB 3.28Å; T319-S322 WeakPolarHBondContact O-CB 3.26Å; T319-S322 PolarHBondContact O-N 3.24Å; T319-S322 VanDerWaalsContact O-N 3.11Å; L320-S322 VanDerWaalsContact C-N 3.26Å; L320-S322 PolarHBondContact O-N 3.49Å; S322-L324 VanDerWaalsContact C-N 3.35Å; S322-L325 WeakPolarHBondContact O-CB 3.47Å; S322-L325 PolarHBondContact O-N 2.93Å; S322-A356 WeakPolarHBondContact OG-CB 3.22Å; S322-A356 PolarHBondContact OG-N 3.1Å
323	F	96.7	Very high	93.3	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-43.9	174.1	175.1	-88.7	0	0	0	111.7	P297 L300 E301 T319 L320 L325 F326 Y327 D330 S333	P297-F323 HydrophobicContact CB-CD2 4.31Å; P297-F323 HydrophobicContact CB-CE2 4.04Å; P297-F323 WeakPolarHBondContact O-CD2 3.5Å; L300-F323 HydrophobicContact CB-CB 4.29Å; L300-F323 HydrophobicContact CB-CD2 4.37Å; E301-F323 HydrophobicContact CB-CD2 4.36Å; E301-F323 HydrophobicContact CB-CE2 4.2Å; T319-F323 PolarHBondContact O-N 3.29Å; L320-F323 HydrophobicContact CD1-CD1 4.48Å; L320-F323 WeakPolarHBondContact O-CB 3.46Å; L320-F323 PolarHBondContact O-N 3.44Å; F323-L325 PolarHBondContact O-N 3.3Å; F323-F326 WeakPolarHBondContact O-CB 3.41Å; F323-F326 PolarHBondContact O-N 3.37Å; F323-Y327 HydrophobicContact CE1-CD2 4.43Å; F323-Y327 HydrophobicContact CE2-CD2 4.38Å; F323-Y327 AromaticContact CZ-CD2 3.93Å; F323-Y327 HydrophobicContact CZ-CD2 3.93Å; F323-Y327 PolarHBondContact O-N 2.83Å; F323-D330 HydrophobicContact CE1-CB 4.37Å; F323-S333 WeakPolarHBondContact CD1-OG 3.35Å; F323-S333 WeakPolarHBondContact CE1-OG 3.12Å
324	L	96.3	Very high	93.2	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.11	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.9	178.7	-72.3	170.2	0	0	0	114.3	L320 S322 F326 Y327 P328 L334 L337	L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.88Å; S322-L324 VanDerWaalsContact C-N 3.35Å; L324-F326 VanDerWaalsContact C-N 3.31Å; L324-Y327 WeakPolarHBondContact CD2-O 3.44Å; L324-Y327 CarbonylContact O-C 3.58Å; L324-P328 WeakPolarHBondContact O-CA 3.16Å; L324-L334 HydrophobicContact CD1-CD2 4.25Å; L324-L334 HydrophobicContact CD2-CD2 4.25Å; L324-L334 HydrophobicContact CD2-CG 4.33Å; L324-L337 HydrophobicContact CD1-CD1 4.21Å; L324-L337 HydrophobicContact CD1-CD2 3.9Å; L324-L337 HydrophobicContact CD1-CG 4.43Å
325	L	96.9	Very high	92.9	Very high	64 Å²	64	51.5 Å²	51.5	34%	0.335	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.3	168.5	-62.9	177	0	0	0	112.6	S322 F323 P355 I359 A360 V363	S322-L325 WeakPolarHBondContact O-CB 3.47Å; S322-L325 PolarHBondContact O-N 2.93Å; F323-L325 PolarHBondContact O-N 3.3Å; L325-P355 HydrophobicContact CD1-CB 3.83Å; L325-P355 HydrophobicContact CD1-CG 4.26Å; L325-P355 HydrophobicContact CD2-CG 4.32Å; L325-P355 HydrophobicContact CG-CB 4.39Å; L325-P355 HydrophobicContact CG-CG 4.39Å; L325-I359 HydrophobicContact CD1-CG2 4.21Å; L325-A360 HydrophobicContact CD1-CB 3.91Å; L325-V363 HydrophobicContact CB-CG1 4.44Å; L325-V363 HydrophobicContact CB-CG2 4.14Å
326	F	95.6	Very high	92.6	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.022	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-48.6	174.5	-61.5	-89.5	0	0	0	110.3	L296 P297 L300 F323 L324 P328 I359 Y362 V363 W390	L296-F326 HydrophobicContact CD2-CZ 3.92Å; L296-F326 HydrophobicContact CG-CZ 4.38Å; P297-F326 HydrophobicContact CG-CB 4.35Å; P297-F326 HydrophobicContact CG-CD1 3.84Å; P297-F326 HydrophobicContact CG-CD2 4.41Å; P297-F326 HydrophobicContact CG-CE1 4.2Å; P297-F326 HydrophobicContact CG-CG 3.96Å; L300-F326 HydrophobicContact CD1-CD2 4.26Å; L300-F326 HydrophobicContact CD1-CE2 3.66Å; F323-F326 WeakPolarHBondContact O-CB 3.41Å; F323-F326 PolarHBondContact O-N 3.37Å; L324-F326 VanDerWaalsContact C-N 3.31Å; F326-P328 WeakPolarHBondContact O-CD 3.36Å; F326-I359 HydrophobicContact CE2-CG2 3.61Å; F326-I359 HydrophobicContact CZ-CG2 4.08Å; F326-Y362 HydrophobicContact CE1-CD1 4.27Å; F326-Y362 AromaticContact CE1-CE1 3.95Å; F326-Y362 HydrophobicContact CE1-CE1 3.95Å; F326-Y362 HydrophobicContact CZ-CD1 4.08Å; F326-Y362 HydrophobicContact CZ-CE1 4.12Å; F326-V363 HydrophobicContact CD1-CG2 4.13Å; F326-V363 HydrophobicContact CD2-CG2 4.32Å; F326-V363 HydrophobicContact CE1-CG2 3.68Å; F326-V363 HydrophobicContact CE2-CG2 3.89Å; F326-V363 HydrophobicContact CG-CG2 4.44Å; F326-V363 HydrophobicContact CZ-CG2 3.55Å; F326-W390 HydrophobicContact CB-CB 4.03Å; F326-W390 HydrophobicContact CB-CG 4.17Å; F326-W390 HydrophobicContact CD1-CB 4.43Å; F326-W390 AromaticContact CD1-CD1 3.79Å; F326-W390 AromaticContact CD1-CD2 3.51Å; F326-W390 HydrophobicContact CD1-CD2 3.51Å; F326-W390 AromaticContact CD1-CE2 3.55Å; F326-W390 AromaticContact CD1-CE3 3.99Å; F326-W390 HydrophobicContact CD1-CE3 3.99Å; F326-W390 AromaticContact CD1-CG 3.68Å; F326-W390 HydrophobicContact CD1-CG 3.68Å; F326-W390 HydrophobicContact CD1-CZ2 4.12Å; F326-W390 HydrophobicContact CD1-CZ3 4.46Å; F326-W390 AromaticContact CD1-NE1 3.72Å; F326-W390 HydrophobicContact CE1-CD2 4.2Å; F326-W390 AromaticContact CE1-CE2 3.79Å; F326-W390 HydrophobicContact CE1-CH2 4.42Å; F326-W390 AromaticContact CE1-CZ2 3.95Å; F326-W390 HydrophobicContact CE1-CZ2 3.95Å; F326-W390 AromaticContact CE1-NE1 4Å; F326-W390 HydrophobicContact CG-CD2 4.5Å; F326-W390 HydrophobicContact CG-CG 4.44Å
327	Y	94.1	Very high	92.3	Very high	59 Å²	59	54.6 Å²	54.6	23%	0.231	27%	0.271	C	S	.	.			trans	-125	76.9	-175.4	-65.3	-66	0	0	0	112.1	D294 P297 F323 L324 N329 D330 L389 W390	D294-Y327 PolarHBondContact OD1-OH 2.83Å; D294-Y327 VanDerWaalsContact OD1-OH 3.11Å; D294-Y327 WeakPolarHBondContact OD2-CE2 3.39Å; D294-Y327 VanDerWaalsContact OD2-CZ 3.31Å; D294-Y327 PolarHBondContact OD2-OH 2.73Å; P297-Y327 HydrophobicContact CB-CE2 4.35Å; F323-Y327 HydrophobicContact CE1-CD2 4.43Å; F323-Y327 HydrophobicContact CE2-CD2 4.38Å; F323-Y327 AromaticContact CZ-CD2 3.93Å; F323-Y327 HydrophobicContact CZ-CD2 3.93Å; F323-Y327 PolarHBondContact O-N 2.83Å; L324-Y327 WeakPolarHBondContact CD2-O 3.44Å; L324-Y327 CarbonylContact O-C 3.58Å; Y327-N329 PolarHBondContact O-N 2.71Å; Y327-N329 VanDerWaalsContact O-N 3.13Å; Y327-D330 PolarHBondContact O-N 2.8Å; Y327-L389 WeakPolarHBondContact OH-CB 3.42Å; Y327-W390 HydrophobicContact CD1-CB 4.28Å; Y327-W390 HydrophobicContact CE1-CB 3.68Å; Y327-W390 HydrophobicContact CE2-CB 4.09Å; Y327-W390 PolarHBondContact OH-N 2.79Å
328	P	94.3	Very high	92	Very high	78 Å²	78	59.5 Å²	59.5	51%	0.506	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.3	-172.5	26.1	-35.8	0	0	0	114.4	L324 F326	L324-P328 WeakPolarHBondContact O-CA 3.16Å; F326-P328 WeakPolarHBondContact O-CD 3.36Å
329	N	91.4	Very high	91.6	Very high	142 Å²	142	59 Å²	59	76%	0.759	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	10	-177.9	-60.5	-50.4	0	0	0	112.8	Y327 R331	Y327-N329 PolarHBondContact O-N 2.71Å; Y327-N329 VanDerWaalsContact O-N 3.13Å; N329-R331 PolarHBondContact O-N 3.44Å
330	D	87.4	Confident	91.3	Very high	54 Å²	54	58.6 Å²	58.6	29%	0.289	29%	0.291	S	S	.	.			trans	-66.7	120.6	178	-179.2	58.5	0	0	0	110.8	F323 Y327 S333 L334	F323-D330 HydrophobicContact CE1-CB 4.37Å; Y327-D330 PolarHBondContact O-N 2.8Å; D330-S333 WeakPolarHBondContact OD2-CB 3.39Å; D330-S333 PolarHBondContact OD2-N 3.39Å; D330-S333 PolarHBondContact OD2-OG 2.88Å; D330-L334 WeakPolarHBondContact O-CB 3.45Å; D330-L334 WeakPolarHBondContact O-CG 3.5Å; D330-L334 PolarHBondContact O-N 2.83Å; D330-L334 VanDerWaalsContact O-N 3.08Å
331	R	89.3	Confident	90.9	Very high	200 Å²	200	60.5 Å²	60.5	76%	0.755	30%	0.298	S	S	*	.	H	α-helix	trans	-71.1	-44.1	-170	-73.8	-175.8	169.2	179.8	-3.2	112	N329 S333 L334 D335	N329-R331 PolarHBondContact O-N 3.44Å; R331-S333 VanDerWaalsContact C-N 3.3Å; R331-S333 PolarHBondContact O-N 3.22Å; R331-L334 PolarHBondContact O-N 2.86Å; R331-D335 PolarHBondContact O-N 3.48Å
332	D	82	Confident	90.4	Very high	114 Å²	114	64.5 Å²	64.5	61%	0.61	32%	0.318	S	S	*	.	H	α-helix	trans	-65.9	-39	-176.7	-62.5	-21.9	0	0	0	110.2	D335 N336	D332-D335 PolarHBondContact O-N 2.86Å; D332-N336 WeakPolarHBondContact O-CB 3.1Å; D332-N336 VanDerWaalsContact O-CG 3.3Å; D332-N336 PolarHBondContact O-N 3.11Å; D332-N336 PolarHBondContact O-ND2 3.19Å
333	S	87.1	Confident	89.9	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-65.9	-39	172.8	-64.7	0	0	0	0	113.3	F323 D330 R331 N336 L337	F323-S333 WeakPolarHBondContact CD1-OG 3.35Å; F323-S333 WeakPolarHBondContact CE1-OG 3.12Å; D330-S333 WeakPolarHBondContact OD2-CB 3.39Å; D330-S333 PolarHBondContact OD2-N 3.39Å; D330-S333 PolarHBondContact OD2-OG 2.88Å; R331-S333 VanDerWaalsContact C-N 3.3Å; R331-S333 PolarHBondContact O-N 3.22Å; S333-N336 PolarHBondContact O-N 3.36Å; S333-L337 WeakPolarHBondContact O-CB 3.01Å; S333-L337 PolarHBondContact O-N 3.34Å
334	L	90.1	Very high	89.3	Confident	74 Å²	74	70.2 Å²	70.2	39%	0.387	35%	0.352	S	S	.	.	H	α-helix	trans	-67.5	-37.2	175.9	-72.6	170.5	0	0	0	112.1	L324 D330 R331 L337 Q338	L324-L334 HydrophobicContact CD1-CD2 4.25Å; L324-L334 HydrophobicContact CD2-CD2 4.25Å; L324-L334 HydrophobicContact CD2-CG 4.33Å; D330-L334 WeakPolarHBondContact O-CB 3.45Å; D330-L334 WeakPolarHBondContact O-CG 3.5Å; D330-L334 PolarHBondContact O-N 2.83Å; D330-L334 VanDerWaalsContact O-N 3.08Å; R331-L334 PolarHBondContact O-N 2.86Å; L334-L337 WeakPolarHBondContact O-CB 3.41Å; L334-L337 PolarHBondContact O-N 2.9Å; L334-Q338 PolarHBondContact O-N 3.34Å; L334-Q338 VanDerWaalsContact O-N 3.1Å
335	D	86.1	Confident	88.2	Confident	114 Å²	114	71.9 Å²	71.9	61%	0.61	37%	0.374	S	S	*	.	H	α-helix	trans	-67.1	-43.3	174.3	-73.1	-13	0	0	0	111.1	R331 D332 L337 Q338 L339	R331-D335 PolarHBondContact O-N 3.48Å; D332-D335 PolarHBondContact O-N 2.86Å; D335-L337 VanDerWaalsContact C-N 3.28Å; D335-L337 PolarHBondContact O-N 3.44Å; D335-Q338 WeakPolarHBondContact O-CB 3.45Å; D335-Q338 PolarHBondContact O-N 2.73Å; D335-L339 PolarHBondContact O-N 3.08Å
336	N	87.1	Confident	86.4	Confident	53 Å²	53	71.4 Å²	71.4	28%	0.283	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-37.3	172.4	-76.9	-32.9	0	0	0	112.1	L320 D332 S333 Q338 L339 Y340	L320-N336 HydrophobicContact CD2-CB 3.79Å; D332-N336 WeakPolarHBondContact O-CB 3.1Å; D332-N336 VanDerWaalsContact O-CG 3.3Å; D332-N336 PolarHBondContact O-N 3.11Å; D332-N336 PolarHBondContact O-ND2 3.19Å; S333-N336 PolarHBondContact O-N 3.36Å; N336-Q338 VanDerWaalsContact C-N 3.34Å; N336-Q338 PolarHBondContact O-N 3.2Å; N336-L339 WeakPolarHBondContact O-CB 3.49Å; N336-L339 PolarHBondContact O-N 3.11Å; N336-Y340 VanDerWaalsContact O-CD1 3.24Å; N336-Y340 WeakPolarHBondContact O-CD1 3.32Å; N336-Y340 PolarHBondContact O-N 2.97Å
337	L	89.6	Confident	84.5	Confident	23 Å²	23	76.3 Å²	76.3	12%	0.12	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-44.7	178.2	-171	78.2	0	0	0	110.3	L317 L320 R321 L324 S333 L334 D335 Y340 Y341	L317-L337 HydrophobicContact CD1-CD1 3.57Å; L317-L337 HydrophobicContact CD1-CG 4.39Å; L320-L337 HydrophobicContact CD2-CB 3.84Å; L320-L337 HydrophobicContact CD2-CD1 4Å; L320-L337 HydrophobicContact CG-CB 4.48Å; L320-L337 HydrophobicContact CG-CD1 4.09Å; R321-L337 HydrophobicContact CG-CD1 3.88Å; L324-L337 HydrophobicContact CD1-CD1 4.21Å; L324-L337 HydrophobicContact CD1-CD2 3.9Å; L324-L337 HydrophobicContact CD1-CG 4.43Å; S333-L337 WeakPolarHBondContact O-CB 3.01Å; S333-L337 PolarHBondContact O-N 3.34Å; L334-L337 WeakPolarHBondContact O-CB 3.41Å; L334-L337 PolarHBondContact O-N 2.9Å; D335-L337 VanDerWaalsContact C-N 3.28Å; D335-L337 PolarHBondContact O-N 3.44Å; L337-Y340 PolarHBondContact O-N 2.84Å; L337-Y341 HydrophobicContact CD1-CE2 4.21Å; L337-Y341 HydrophobicContact CD2-CE2 3.82Å; L337-Y341 HydrophobicContact CG-CD2 4.21Å; L337-Y341 HydrophobicContact CG-CE2 3.53Å; L337-Y341 WeakPolarHBondContact O-CD2 3.35Å; L337-Y341 PolarHBondContact O-N 3.38Å; L337-Y341 VanDerWaalsContact O-N 3.12Å
338	Q	87.5	Confident	82.5	Confident	102 Å²	102	77.7 Å²	77.7	48%	0.477	43%	0.434	S	S	.	.	H	α-helix	trans	-60.7	-46.2	174.5	-176.6	60.3	27.2	0	0	111.6	L334 D335 N336 Y340 Y341 E342	L334-Q338 PolarHBondContact O-N 3.34Å; L334-Q338 VanDerWaalsContact O-N 3.1Å; D335-Q338 WeakPolarHBondContact O-CB 3.45Å; D335-Q338 PolarHBondContact O-N 2.73Å; N336-Q338 VanDerWaalsContact C-N 3.34Å; N336-Q338 PolarHBondContact O-N 3.2Å; Q338-Y340 VanDerWaalsContact C-N 3.31Å; Q338-Y340 PolarHBondContact O-N 2.74Å; Q338-Y341 PolarHBondContact O-N 2.74Å; Q338-E342 PolarHBondContact NE2-OE1 3.02Å; Q338-E342 WeakPolarHBondContact O-CG 3.28Å; Q338-E342 PolarHBondContact O-N 3.48Å
339	L	87.4	Confident	80.6	Confident	73 Å²	73	81.8 Å²	81.8	38%	0.382	45%	0.447	S	S	.	.	H	α-helix	trans	-56.9	-43.4	176.4	175.5	65.4	0	0	0	112.2	F308 D335 N336 E342 T343	F308-L339 HydrophobicContact CE1-CD2 4.37Å; F308-L339 HydrophobicContact CZ-CD2 4.12Å; F308-L339 HydrophobicContact CZ-CG 4.31Å; D335-L339 PolarHBondContact O-N 3.08Å; N336-L339 WeakPolarHBondContact O-CB 3.49Å; N336-L339 PolarHBondContact O-N 3.11Å; L339-E342 PolarHBondContact O-N 2.78Å; L339-T343 WeakPolarHBondContact O-CB 3.46Å; L339-T343 PolarHBondContact O-N 3.4Å; L339-T343 PolarHBondContact O-OG1 3.47Å
340	Y	89.9	Confident	79	Confident	5 Å²	5	75.3 Å²	75.3	2%	0.02	41%	0.412	C	S	.	.	H	α-helix	trans	-68.2	-37.9	-179.1	-64.3	-2.7	0	0	0	111.6	H304 F308 A316 L320 N336 L337 Q338 T343 L344	H304-Y340 AromaticContact ND1-CE2 3.79Å; H304-Y340 AromaticContact ND1-CZ 3.79Å; H304-Y340 PolarHBondContact ND1-OH 2.71Å; F308-Y340 HydrophobicContact CB-CE1 3.83Å; F308-Y340 AromaticContact CD1-CE1 3.87Å; F308-Y340 HydrophobicContact CD1-CE1 3.87Å; F308-Y340 AromaticContact CD2-CD1 3.33Å; F308-Y340 HydrophobicContact CD2-CD1 3.33Å; F308-Y340 AromaticContact CD2-CE1 3.22Å; F308-Y340 HydrophobicContact CD2-CE1 3.22Å; F308-Y340 HydrophobicContact CD2-CG 4.18Å; F308-Y340 AromaticContact CD2-CZ 3.97Å; F308-Y340 HydrophobicContact CE1-CE1 4.22Å; F308-Y340 AromaticContact CE2-CD1 3.44Å; F308-Y340 HydrophobicContact CE2-CD1 3.44Å; F308-Y340 VanDerWaalsContact CE2-CD1 3.44Å; F308-Y340 AromaticContact CE2-CE1 3.63Å; F308-Y340 HydrophobicContact CE2-CE1 3.63Å; F308-Y340 HydrophobicContact CE2-CG 4.47Å; F308-Y340 AromaticContact CG-CD1 3.98Å; F308-Y340 HydrophobicContact CG-CD1 3.98Å; F308-Y340 AromaticContact CG-CE1 3.35Å; F308-Y340 HydrophobicContact CG-CE1 3.35Å; F308-Y340 AromaticContact CG-CZ 3.83Å; F308-Y340 HydrophobicContact CZ-CD1 4.18Å; F308-Y340 HydrophobicContact CZ-CE1 4.11Å; A316-Y340 HydrophobicContact CB-CD2 3.97Å; A316-Y340 HydrophobicContact CB-CE2 3.67Å; L320-Y340 HydrophobicContact CB-CD2 4.48Å; L320-Y340 HydrophobicContact CB-CE2 4.24Å; L320-Y340 HydrophobicContact CD2-CD2 3.7Å; L320-Y340 HydrophobicContact CD2-CE2 3.6Å; N336-Y340 VanDerWaalsContact O-CD1 3.24Å; N336-Y340 WeakPolarHBondContact O-CD1 3.32Å; N336-Y340 PolarHBondContact O-N 2.97Å; L337-Y340 PolarHBondContact O-N 2.84Å; Q338-Y340 VanDerWaalsContact C-N 3.31Å; Q338-Y340 PolarHBondContact O-N 2.74Å; Y340-T343 PolarHBondContact O-N 3.2Å; Y340-L344 PolarHBondContact O-N 2.87Å; Y340-L344 VanDerWaalsContact O-N 3.17Å
341	Y	86.8	Confident	77.7	Confident	39 Å²	39	78.9 Å²	78.9	15%	0.153	43%	0.427	C	S	.	.	H	α-helix	trans	-61.6	-45.1	173.1	-73.4	-57.4	0	0	0	112.8	L317 R321 L337 Q338 T343 L344 G345 G346	L317-Y341 HydrophobicContact CD1-CD1 4.16Å; L317-Y341 HydrophobicContact CD1-CE1 3.85Å; L317-Y341 HydrophobicContact CD1-CE2 4.4Å; L317-Y341 HydrophobicContact CD2-CD1 4.15Å; L317-Y341 HydrophobicContact CD2-CE1 3.76Å; L317-Y341 HydrophobicContact CG-CE1 4.39Å; R321-Y341 VanDerWaalsContact CZ-OH 3.22Å; R321-Y341 PolarHBondContact NE-OH 2.99Å; R321-Y341 PolarHBondContact NH2-OH 3.39Å; L337-Y341 HydrophobicContact CD1-CE2 4.21Å; L337-Y341 HydrophobicContact CD2-CE2 3.82Å; L337-Y341 HydrophobicContact CG-CD2 4.21Å; L337-Y341 HydrophobicContact CG-CE2 3.53Å; L337-Y341 WeakPolarHBondContact O-CD2 3.35Å; L337-Y341 PolarHBondContact O-N 3.38Å; L337-Y341 VanDerWaalsContact O-N 3.12Å; Q338-Y341 PolarHBondContact O-N 2.74Å; Y341-T343 VanDerWaalsContact C-N 3.3Å; Y341-T343 PolarHBondContact O-N 3.41Å; Y341-L344 PolarHBondContact O-N 3.3Å; Y341-G345 PolarHBondContact O-N 2.95Å; Y341-G346 PolarHBondContact O-N 3.41Å
342	E	86.3	Confident	76.8	Confident	121 Å²	121	71.4 Å²	71.4	57%	0.565	41%	0.413	S	S	*	.	H	α-helix	trans	-64.1	-39	179.5	-71.4	175.8	-172.2	0	0	111.2	Q338 L339 L344 G345	Q338-E342 PolarHBondContact NE2-OE1 3.02Å; Q338-E342 WeakPolarHBondContact O-CG 3.28Å; Q338-E342 PolarHBondContact O-N 3.48Å; L339-E342 PolarHBondContact O-N 2.78Å; E342-L344 VanDerWaalsContact C-N 3.28Å; E342-L344 PolarHBondContact O-N 3.42Å; E342-G345 PolarHBondContact O-N 2.92Å; E342-G345 VanDerWaalsContact O-N 3.07Å
343	T	85.9	Confident	76.7	Confident	75 Å²	75	67.6 Å²	67.6	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-32.4	177.2	-54	0	0	0	0	112.3	F308 V313 L339 Y340 Y341 G345	F308-T343 HydrophobicContact CE2-CG2 4.27Å; V313-T343 HydrophobicContact CG1-CG2 4.32Å; V313-T343 HydrophobicContact CG2-CG2 4.02Å; L339-T343 WeakPolarHBondContact O-CB 3.46Å; L339-T343 PolarHBondContact O-N 3.4Å; L339-T343 PolarHBondContact O-OG1 3.47Å; Y340-T343 PolarHBondContact O-N 3.2Å; Y341-T343 VanDerWaalsContact C-N 3.3Å; Y341-T343 PolarHBondContact O-N 3.41Å; T343-G345 VanDerWaalsContact C-N 3.26Å; T343-G345 PolarHBondContact O-N 2.96Å
344	L	83.8	Confident	76.8	Confident	56 Å²	56	73.8 Å²	73.8	29%	0.293	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	1.5	175.5	-72.4	170.8	0	0	0	113.9	V313 L317 Y340 Y341 E342	V313-L344 HydrophobicContact CB-CD2 3.96Å; V313-L344 HydrophobicContact CB-CG 4.2Å; V313-L344 HydrophobicContact CG1-CD1 4.03Å; V313-L344 HydrophobicContact CG1-CD2 4Å; V313-L344 HydrophobicContact CG1-CG 3.65Å; L317-L344 HydrophobicContact CD2-CD1 4.06Å; Y340-L344 PolarHBondContact O-N 2.87Å; Y340-L344 VanDerWaalsContact O-N 3.17Å; Y341-L344 PolarHBondContact O-N 3.3Å; E342-L344 VanDerWaalsContact C-N 3.28Å; E342-L344 PolarHBondContact O-N 3.42Å
345	G	72.9	Confident	77	Confident	56 Å²	56	72 Å²	72	58%	0.577	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	12.1	176.7	0	0	0	0	0	115.3	Y341 E342 T343 D347	Y341-G345 PolarHBondContact O-N 2.95Å; E342-G345 PolarHBondContact O-N 2.92Å; E342-G345 VanDerWaalsContact O-N 3.07Å; T343-G345 VanDerWaalsContact C-N 3.26Å; T343-G345 PolarHBondContact O-N 2.96Å; G345-D347 VanDerWaalsContact C-N 3.26Å; G345-D347 PolarHBondContact O-N 2.78Å
346	G	60.7	Low	77.4	Confident	53 Å²	53	67.6 Å²	67.6	55%	0.546	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	14.1	173.3	0	0	0	0	0	115.9	Y341	Y341-G346 PolarHBondContact O-N 3.41Å
347	D	55.5	Low	77.8	Confident	108 Å²	108	72.6 Å²	72.6	58%	0.578	41%	0.414	S	S	*	.			trans	-72.6	152.8	-177.2	-75.7	-22.6	0	0	0	113.1	G345 E349 S350	G345-D347 VanDerWaalsContact C-N 3.26Å; G345-D347 PolarHBondContact O-N 2.78Å; D347-E349 PolarHBondContact O-N 2.95Å; D347-E349 VanDerWaalsContact O-N 3.07Å; D347-S350 WeakPolarHBondContact O-CB 3.47Å; D347-S350 PolarHBondContact O-N 3.13Å; D347-S350 PolarHBondContact O-OG 3.07Å
348	A	52.3	Low	78.1	Confident	88 Å²	88	77.5 Å²	77.5	73%	0.727	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-57.7	-21.7	180	0	0	0	0	0	114.3	S350 H351	A348-S350 VanDerWaalsContact C-N 3.3Å; A348-S350 PolarHBondContact O-N 3.34Å; A348-H351 PolarHBondContact O-N 3.43Å
349	E	52.7	Low	78.6	Confident	165 Å²	165	72.9 Å²	72.9	77%	0.771	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-64.4	-32.5	173.8	-84.1	-173.6	153.3	0	0	112.7	D347 H351 G352	D347-E349 PolarHBondContact O-N 2.95Å; D347-E349 VanDerWaalsContact O-N 3.07Å; E349-H351 PolarHBondContact O-N 2.94Å; E349-G352 PolarHBondContact O-N 3.44Å; E349-G352 VanDerWaalsContact O-N 3.08Å
350	S	57.9	Low	79.1	Confident	5 Å²	5	71.2 Å²	71.2	4%	0.035	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-62.9	-27.4	176.1	69.8	0	0	0	0	112.6	R321 D347 A348 G352	R321-S350 PolarHBondContact NH2-O 3.08Å; D347-S350 WeakPolarHBondContact O-CB 3.47Å; D347-S350 PolarHBondContact O-N 3.13Å; D347-S350 PolarHBondContact O-OG 3.07Å; A348-S350 VanDerWaalsContact C-N 3.3Å; A348-S350 PolarHBondContact O-N 3.34Å; S350-G352 VanDerWaalsContact C-N 3.34Å
351	H	61	Low	79.4	Confident	129 Å²	129	77.8 Å²	77.8	60%	0.597	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-75.6	-24	177.9	-69.8	39	0	0	0	112.1	R321 A348 E349	R321-H351 PolarHBondContact NH1-O 3.48Å; R321-H351 VanDerWaalsContact NH1-O 3.11Å; A348-H351 PolarHBondContact O-N 3.43Å; E349-H351 PolarHBondContact O-N 2.94Å
352	G	70	Confident	79.9	Confident	44 Å²	44	77.2 Å²	77.2	45%	0.454	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-81.5	-6.3	178	0	0	0	0	0	115.8	E349 S350 H354	E349-G352 PolarHBondContact O-N 3.44Å; E349-G352 VanDerWaalsContact O-N 3.08Å; S350-G352 VanDerWaalsContact C-N 3.34Å; G352-H354 PolarHBondContact O-CD2 3.3Å; G352-H354 PolarHBondContact O-N 2.96Å
353	I	80.2	Confident	80.4	Confident	34 Å²	34	72 Å²	72	17%	0.174	42%	0.415	C	S	.	.			trans	-79.7	87.3	-177.1	-63	176.7	0	0	0	110.5	S314 L317 Q318 R321	S314-I353 WeakPolarHBondContact OG-CD1 3.28Å; L317-I353 HydrophobicContact CD2-CB 4.09Å; L317-I353 HydrophobicContact CD2-CD1 3.86Å; L317-I353 HydrophobicContact CD2-CG1 4.46Å; L317-I353 HydrophobicContact CD2-CG2 4.35Å; Q318-I353 HydrophobicContact CB-CG2 3.69Å; R321-I353 WeakPolarHBondContact CD-O 3.43Å; R321-I353 PolarHBondContact NE-O 2.8Å; R321-I353 VanDerWaalsContact NH1-C 3.27Å; R321-I353 PolarHBondContact NH1-O 3.31Å
354	H	88.9	Confident	80.9	Confident	132 Å²	132	72.6 Å²	72.6	61%	0.611	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-72.4	155.4	-178.4	-64.6	-70.2	0	0	0	113.1	Q318 G352	Q318-H354 WeakPolarHBondContact CG-O 3.4Å; Q318-H354 PolarHBondContact NE2-O 3.23Å; Q318-H354 VanDerWaalsContact NE2-O 3.15Å; G352-H354 PolarHBondContact O-CD2 3.3Å; G352-H354 PolarHBondContact O-N 2.96Å
355	P	93.8	Very high	81.6	Confident	37 Å²	37	73.1 Å²	73.1	24%	0.24	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-47.8	149.1	167.5	-21.3	26.8	0	0	0	111.6	R321 L325 Q357	R321-P355 HydrophobicContact CB-CB 4.47Å; R321-P355 HydrophobicContact CB-CG 4.01Å; L325-P355 HydrophobicContact CD1-CB 3.83Å; L325-P355 HydrophobicContact CD1-CG 4.26Å; L325-P355 HydrophobicContact CD2-CG 4.32Å; L325-P355 HydrophobicContact CG-CB 4.39Å; L325-P355 HydrophobicContact CG-CG 4.39Å; P355-Q357 PolarHBondContact O-N 3.01Å
356	A	95.6	Very high	82.7	Confident	22 Å²	22	70.5 Å²	70.5	18%	0.182	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-53	129.4	171.8	0	0	0	0	0	110.6	S322 E358 I359 A360	S322-A356 WeakPolarHBondContact OG-CB 3.22Å; S322-A356 PolarHBondContact OG-N 3.1Å; A356-E358 VanDerWaalsContact C-N 3.25Å; A356-E358 PolarHBondContact O-N 3.35Å; A356-I359 HydrophobicContact CB-CG1 4.16Å; A356-I359 PolarHBondContact O-N 3.41Å; A356-A360 PolarHBondContact O-N 3.13Å
357	Q	95.5	Very high	84.5	Confident	157 Å²	157	69.8 Å²	69.8	73%	0.734	37%	0.373	S	S	*	.	H	α-helix	trans	-64	-34.3	-171.9	-175	176.9	5.9	0	0	111.7	P355 A360 K361	P355-Q357 PolarHBondContact O-N 3.01Å; Q357-A360 PolarHBondContact O-N 3.44Å; Q357-K361 VanDerWaalsContact O-CB 3.32Å; Q357-K361 WeakPolarHBondContact O-CB 3.47Å; Q357-K361 PolarHBondContact O-N 3.25Å
358	E	95.7	Very high	86.5	Confident	126 Å²	126	70.2 Å²	70.2	59%	0.589	37%	0.371	S	S	*	.	H	α-helix	trans	-63.2	-43.9	178.4	-61.8	77.5	-171.7	0	0	111	A356 K361 Y362	A356-E358 VanDerWaalsContact C-N 3.25Å; A356-E358 PolarHBondContact O-N 3.35Å; E358-K361 PolarHBondContact O-N 3.21Å; E358-Y362 WeakPolarHBondContact O-CB 3.44Å; E358-Y362 PolarHBondContact O-N 2.86Å
359	I	97.6	Very high	88.7	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-68.3	-45.2	176.5	-59.1	-63.3	0	0	0	110.5	L231 L296 L300 L325 F326 A356 K361 Y362 V363	L231-I359 HydrophobicContact CD1-CD1 3.8Å; L231-I359 HydrophobicContact CD2-CD1 4.28Å; L296-I359 HydrophobicContact CD2-CD1 4.4Å; L300-I359 HydrophobicContact CD1-CD1 4.23Å; L300-I359 HydrophobicContact CD1-CG2 4.37Å; L300-I359 HydrophobicContact CD2-CD1 4.32Å; L325-I359 HydrophobicContact CD1-CG2 4.21Å; F326-I359 HydrophobicContact CE2-CG2 3.61Å; F326-I359 HydrophobicContact CZ-CG2 4.08Å; A356-I359 HydrophobicContact CB-CG1 4.16Å; A356-I359 PolarHBondContact O-N 3.41Å; I359-K361 VanDerWaalsContact C-N 3.28Å; I359-K361 PolarHBondContact O-N 2.98Å; I359-Y362 PolarHBondContact O-N 3.37Å; I359-Y362 VanDerWaalsContact O-N 3.14Å; I359-V363 HydrophobicContact CG2-CG2 4.25Å; I359-V363 WeakPolarHBondContact O-CG2 3.47Å; I359-V363 PolarHBondContact O-N 2.91Å
360	A	97.4	Very high	90.8	Very high	39 Å²	39	58.7 Å²	58.7	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-41.1	177.6	0	0	0	0	0	112.1	L325 A356 Q357 N364	L325-A360 HydrophobicContact CD1-CB 3.91Å; A356-A360 PolarHBondContact O-N 3.13Å; Q357-A360 PolarHBondContact O-N 3.44Å; A360-N364 VanDerWaalsContact O-CB 3.31Å; A360-N364 WeakPolarHBondContact O-CB 3.32Å; A360-N364 PolarHBondContact O-N 2.04Å; A360-N364 VanDerWaalsContact O-N 3.08Å
361	K	96.6	Very high	92.7	Very high	143 Å²	143	61.4 Å²	61.4	62%	0.622	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-45.6	174.4	-175.6	-175.7	175.8	-170.4	0	111.5	Q357 E358 I359 Q365	Q357-K361 VanDerWaalsContact O-CB 3.32Å; Q357-K361 WeakPolarHBondContact O-CB 3.47Å; Q357-K361 PolarHBondContact O-N 3.25Å; E358-K361 PolarHBondContact O-N 3.21Å; I359-K361 VanDerWaalsContact C-N 3.28Å; I359-K361 PolarHBondContact O-N 2.98Å; K361-Q365 VanDerWaalsContact O-CB 3.25Å; K361-Q365 WeakPolarHBondContact O-CB 3.43Å; K361-Q365 PolarHBondContact O-N 3.45Å
362	Y	97	Very high	94.4	Very high	27 Å²	27	60 Å²	60	11%	0.106	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-51.7	178.7	170.7	-96.5	0	0	0	112.1	L231 I234 V279 L296 F326 E358 I359 N364 Q365 S366 W390	L231-Y362 HydrophobicContact CD2-CD2 4.46Å; L231-Y362 HydrophobicContact CD2-CG 4.39Å; I234-Y362 HydrophobicContact CG2-CE2 4.14Å; V279-Y362 WeakPolarHBondContact CG2-OH 3.35Å; L296-Y362 HydrophobicContact CD2-CD1 3.97Å; L296-Y362 HydrophobicContact CD2-CE1 3.77Å; F326-Y362 HydrophobicContact CE1-CD1 4.27Å; F326-Y362 AromaticContact CE1-CE1 3.95Å; F326-Y362 HydrophobicContact CE1-CE1 3.95Å; F326-Y362 HydrophobicContact CZ-CD1 4.08Å; F326-Y362 HydrophobicContact CZ-CE1 4.12Å; E358-Y362 WeakPolarHBondContact O-CB 3.44Å; E358-Y362 PolarHBondContact O-N 2.86Å; I359-Y362 PolarHBondContact O-N 3.37Å; I359-Y362 VanDerWaalsContact O-N 3.14Å; Y362-N364 PolarHBondContact O-N 3.48Å; Y362-Q365 PolarHBondContact O-N 3.19Å; Y362-S366 WeakPolarHBondContact O-CB 3.41Å; Y362-S366 PolarHBondContact O-N 3.38Å; Y362-W390 HydrophobicContact CE1-CZ2 4.26Å
363	V	97.6	Very high	95.7	Very high	11 Å²	11	57.9 Å²	57.9	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-51.5	179.9	172.9	0	0	0	0	110.1	L325 F326 I359 Q365 S366 L367 W390	L325-V363 HydrophobicContact CB-CG1 4.44Å; L325-V363 HydrophobicContact CB-CG2 4.14Å; F326-V363 HydrophobicContact CD1-CG2 4.13Å; F326-V363 HydrophobicContact CD2-CG2 4.32Å; F326-V363 HydrophobicContact CE1-CG2 3.68Å; F326-V363 HydrophobicContact CE2-CG2 3.89Å; F326-V363 HydrophobicContact CG-CG2 4.44Å; F326-V363 HydrophobicContact CZ-CG2 3.55Å; I359-V363 HydrophobicContact CG2-CG2 4.25Å; I359-V363 WeakPolarHBondContact O-CG2 3.47Å; I359-V363 PolarHBondContact O-N 2.91Å; V363-Q365 VanDerWaalsContact C-N 3.33Å; V363-Q365 PolarHBondContact O-N 3.31Å; V363-S366 PolarHBondContact O-N 3.29Å; V363-L367 HydrophobicContact CG1-CD1 4.08Å; V363-L367 HydrophobicContact CG1-CG 4.34Å; V363-L367 WeakPolarHBondContact O-CG 3.46Å; V363-L367 PolarHBondContact O-N 3.27Å; V363-W390 HydrophobicContact CG1-CZ3 4.04Å
364	N	97.1	Very high	96.6	Very high	88 Å²	88	56.8 Å²	56.8	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-42.8	179.7	178.1	58.9	0	0	0	112.3	A360 Y362 Q368	A360-N364 VanDerWaalsContact O-CB 3.31Å; A360-N364 WeakPolarHBondContact O-CB 3.32Å; A360-N364 PolarHBondContact O-N 2.04Å; A360-N364 VanDerWaalsContact O-N 3.08Å; Y362-N364 PolarHBondContact O-N 3.48Å; N364-Q368 PolarHBondContact ND2-NE2 3.06Å; N364-Q368 VanDerWaalsContact O-CG 3.3Å; N364-Q368 WeakPolarHBondContact O-CG 3.34Å; N364-Q368 PolarHBondContact O-N 3.49Å; N364-Q368 VanDerWaalsContact O-N 3.13Å; N364-Q368 PolarHBondContact OD1-NE2 3.25Å; N364-Q368 VanDerWaalsContact OD1-NE2 3.11Å
365	Q	96.8	Very high	96.9	Very high	67 Å²	67	56 Å²	56	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-47.6	176.6	-179.7	169.6	10.8	0	0	111.5	R238 K361 Y362 V363 L367 Q368 E369	R238-Q365 VanDerWaalsContact NH2-CD 3.33Å; K361-Q365 VanDerWaalsContact O-CB 3.25Å; K361-Q365 WeakPolarHBondContact O-CB 3.43Å; K361-Q365 PolarHBondContact O-N 3.45Å; Y362-Q365 PolarHBondContact O-N 3.19Å; V363-Q365 VanDerWaalsContact C-N 3.33Å; V363-Q365 PolarHBondContact O-N 3.31Å; Q365-L367 PolarHBondContact O-N 3.39Å; Q365-Q368 PolarHBondContact O-N 2.68Å; Q365-E369 HydrophobicContact CG-CG 4.43Å; Q365-E369 PolarHBondContact NE2-OE1 3.35Å; Q365-E369 VanDerWaalsContact O-CG 3.29Å; Q365-E369 WeakPolarHBondContact O-CG 3.27Å; Q365-E369 PolarHBondContact O-N 3.13Å
366	S	97.5	Very high	96.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-42.7	-178.7	177.6	0	0	0	0	112	Q276 Y362 V363 Q368 E369 K370	Q276-S366 PolarHBondContact NE2-OG 3.12Å; Q276-S366 PolarHBondContact OE1-OG 2.89Å; Y362-S366 WeakPolarHBondContact O-CB 3.41Å; Y362-S366 PolarHBondContact O-N 3.38Å; V363-S366 PolarHBondContact O-N 3.29Å; S366-Q368 PolarHBondContact O-N 3.41Å; S366-E369 PolarHBondContact O-N 3.47Å; S366-K370 WeakPolarHBondContact O-CB 3.43Å; S366-K370 WeakPolarHBondContact O-CG 3.06Å; S366-K370 PolarHBondContact O-N 3.46Å; S366-K370 WeakPolarHBondContact OG-CE 3.2Å
367	L	97.9	Very high	96.9	Very high	38 Å²	38	55.1 Å²	55.1	20%	0.199	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-40.7	176.6	-65.8	-174.8	0	0	0	112.9	V363 Q365 K370 S371 W390 P392 V395	V363-L367 HydrophobicContact CG1-CD1 4.08Å; V363-L367 HydrophobicContact CG1-CG 4.34Å; V363-L367 WeakPolarHBondContact O-CG 3.46Å; V363-L367 PolarHBondContact O-N 3.27Å; Q365-L367 PolarHBondContact O-N 3.39Å; L367-K370 PolarHBondContact O-N 3.04Å; L367-S371 PolarHBondContact O-N 3.23Å; L367-W390 HydrophobicContact CD2-CE3 4.2Å; L367-W390 HydrophobicContact CD2-CH2 4.26Å; L367-W390 HydrophobicContact CD2-CZ3 3.47Å; L367-W390 VanDerWaalsContact CD2-CZ3 3.47Å; L367-W390 HydrophobicContact CG-CZ3 3.96Å; L367-P392 HydrophobicContact CD1-CG 4.25Å; L367-P392 HydrophobicContact CD2-CG 4.18Å; L367-V395 HydrophobicContact CB-CG2 4.49Å; L367-V395 HydrophobicContact CD2-CG2 4.26Å
368	Q	97.6	Very high	96.8	Very high	117 Å²	117	51.5 Å²	51.5	55%	0.547	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-41	176.1	-70.5	-177.7	17.2	0	0	111.9	N364 Q365 S366 S371 L372	N364-Q368 PolarHBondContact ND2-NE2 3.06Å; N364-Q368 VanDerWaalsContact O-CG 3.3Å; N364-Q368 WeakPolarHBondContact O-CG 3.34Å; N364-Q368 PolarHBondContact O-N 3.49Å; N364-Q368 VanDerWaalsContact O-N 3.13Å; N364-Q368 PolarHBondContact OD1-NE2 3.25Å; N364-Q368 VanDerWaalsContact OD1-NE2 3.11Å; Q365-Q368 PolarHBondContact O-N 2.68Å; S366-Q368 PolarHBondContact O-N 3.41Å; Q368-S371 PolarHBondContact O-N 2.82Å; Q368-L372 PolarHBondContact O-N 2.85Å
369	E	97.6	Very high	96.8	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-43.6	175.8	-68.2	-179.4	163.2	0	0	111.5	R238 L272 R275 Q276 Q365 S366 S371 L372 L373	R238-E369 IonicContact CZ-OE1 3.6Å; R238-E369 IonicContact CZ-OE2 2.84Å; R238-E369 IonicContact NH1-OE2 3.3Å; R238-E369 PolarHBondContact NH1-OE2 2.83Å; R238-E369 IonicContact NH2-OE1 3.53Å; R238-E369 PolarHBondContact NH2-OE1 3.37Å; R238-E369 IonicContact NH2-OE2 3.01Å; R238-E369 PolarHBondContact NH2-OE2 2.89Å; L272-E369 HydrophobicContact CD2-CB 4.17Å; L272-E369 HydrophobicContact CD2-CG 3.76Å; R275-E369 IonicContact NH1-OE1 3.93Å; R275-E369 PolarHBondContact NH1-OE1 3Å; R275-E369 VanDerWaalsContact NH1-OE1 3.16Å; Q276-E369 PolarHBondContact NE2-OE2 3.1Å; Q365-E369 HydrophobicContact CG-CG 4.43Å; Q365-E369 PolarHBondContact NE2-OE1 3.35Å; Q365-E369 VanDerWaalsContact O-CG 3.29Å; Q365-E369 WeakPolarHBondContact O-CG 3.27Å; Q365-E369 PolarHBondContact O-N 3.13Å; S366-E369 PolarHBondContact O-N 3.47Å; E369-S371 PolarHBondContact O-N 2.9Å; E369-L372 PolarHBondContact O-N 2.98Å; E369-L373 WeakPolarHBondContact O-CG 3.35Å; E369-L373 PolarHBondContact O-N 3.02Å
370	K	97.9	Very high	96.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-40.2	176.2	-73.2	173	-175.1	171.7	0	112.8	S366 L367 L372 L373 Y374 F384 D386 D388 T391 V395	S366-K370 WeakPolarHBondContact O-CB 3.43Å; S366-K370 WeakPolarHBondContact O-CG 3.06Å; S366-K370 PolarHBondContact O-N 3.46Å; S366-K370 WeakPolarHBondContact OG-CE 3.2Å; L367-K370 PolarHBondContact O-N 3.04Å; K370-L372 VanDerWaalsContact C-N 3.28Å; K370-L372 PolarHBondContact O-N 2.94Å; K370-L373 PolarHBondContact O-N 3.46Å; K370-L373 VanDerWaalsContact O-N 3.13Å; K370-Y374 HydrophobicContact CB-CD2 4.4Å; K370-Y374 HydrophobicContact CB-CE2 4.37Å; K370-Y374 WeakPolarHBondContact O-CD2 3.49Å; K370-Y374 PolarHBondContact O-N 2.93Å; K370-F384 HydrophobicContact CG-CE1 4.48Å; K370-F384 HydrophobicContact CG-CZ 4.32Å; K370-D386 VanDerWaalsContact CE-OD1 3.24Å; K370-D386 WeakPolarHBondContact CE-OD1 3.47Å; K370-D386 IonicContact NZ-OD1 2.77Å; K370-D388 VanDerWaalsContact CE-OD2 3.28Å; K370-D388 WeakPolarHBondContact CE-OD2 3.35Å; K370-D388 VanDerWaalsContact NZ-CG 3.33Å; K370-D388 IonicContact NZ-OD2 2.73Å; K370-D388 PolarHBondContact NZ-OD2 3.21Å; K370-T391 HydrophobicContact CD-CG2 3.94Å; K370-T391 WeakPolarHBondContact CD-OG1 3.35Å; K370-T391 WeakPolarHBondContact CE-OG1 3.47Å; K370-T391 PolarHBondContact NZ-OG1 2.04Å; K370-V395 HydrophobicContact CB-CG1 3.97Å
371	S	97.4	Very high	96	Very high	62 Å²	62	56.9 Å²	56.9	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-56.9	-43.6	175.7	-175.3	0	0	0	0	111.6	L367 Q368 E369 F375	L367-S371 PolarHBondContact O-N 3.23Å; Q368-S371 PolarHBondContact O-N 2.82Å; E369-S371 PolarHBondContact O-N 2.9Å; S371-F375 PolarHBondContact O-N 2.8Å; S371-F375 VanDerWaalsContact O-N 3.11Å
372	L	97.6	Very high	95.6	Very high	99 Å²	99	52.2 Å²	52.2	52%	0.518	27%	0.266	S	S	.	.	H	α-helix	trans	-67.7	-38.7	175.5	-64.6	174.4	0	0	0	112.5	L269 L272 Q368 E369 K370 F375 G376	L269-L372 WeakPolarHBondContact CD2-O 3.41Å; L272-L372 HydrophobicContact CD1-CB 3.69Å; L272-L372 HydrophobicContact CD1-CD1 3.84Å; L272-L372 HydrophobicContact CD1-CG 4.43Å; Q368-L372 PolarHBondContact O-N 2.85Å; E369-L372 PolarHBondContact O-N 2.98Å; K370-L372 VanDerWaalsContact C-N 3.28Å; K370-L372 PolarHBondContact O-N 2.94Å; L372-F375 WeakPolarHBondContact O-CB 3.25Å; L372-F375 PolarHBondContact O-N 2.83Å; L372-G376 PolarHBondContact O-N 3.04Å; L372-G376 VanDerWaalsContact O-N 3.16Å
373	L	97.5	Very high	95.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-47.1	177.6	-76.2	161.1	0	0	0	111.9	L269 L272 Q276 E369 K370 F375 G376 V377 F382 F384	L269-L373 HydrophobicContact CD2-CD2 4.13Å; L269-L373 WeakPolarHBondContact O-CD2 3.45Å; L272-L373 HydrophobicContact CB-CD1 3.99Å; L272-L373 HydrophobicContact CB-CD2 3.86Å; L272-L373 HydrophobicContact CB-CG 3.86Å; L272-L373 HydrophobicContact CD1-CG 4.47Å; Q276-L373 HydrophobicContact CB-CD1 4.47Å; Q276-L373 HydrophobicContact CG-CD1 3.66Å; E369-L373 WeakPolarHBondContact O-CG 3.35Å; E369-L373 PolarHBondContact O-N 3.02Å; K370-L373 PolarHBondContact O-N 3.46Å; K370-L373 VanDerWaalsContact O-N 3.13Å; L373-F375 VanDerWaalsContact C-N 3.3Å; L373-F375 PolarHBondContact O-N 2.97Å; L373-G376 CarbonylContact O-C 3.58Å; L373-G376 WeakPolarHBondContact O-CA 3.26Å; L373-G376 PolarHBondContact O-N 3.24Å; L373-V377 WeakPolarHBondContact O-CG2 3.39Å; L373-V377 PolarHBondContact O-N 2.89Å; L373-F382 HydrophobicContact CD2-CD1 4.34Å; L373-F382 HydrophobicContact CD2-CE1 3.68Å; L373-F382 HydrophobicContact CD2-CZ 4.42Å; L373-F384 HydrophobicContact CB-CD1 3.78Å; L373-F384 HydrophobicContact CB-CD2 4.42Å; L373-F384 HydrophobicContact CB-CE1 4Å; L373-F384 HydrophobicContact CB-CG 4.01Å; L373-F384 HydrophobicContact CB-CZ 4.43Å; L373-F384 HydrophobicContact CD1-CD1 4.49Å; L373-F384 HydrophobicContact CD1-CD2 4Å; L373-F384 HydrophobicContact CD1-CE1 4.16Å; L373-F384 HydrophobicContact CD1-CE2 3.67Å; L373-F384 HydrophobicContact CD1-CG 4.42Å; L373-F384 HydrophobicContact CD1-CZ 3.74Å; L373-F384 HydrophobicContact CD2-CD2 4.21Å; L373-F384 HydrophobicContact CD2-CG 4.36Å; L373-F384 HydrophobicContact CG-CD2 4.46Å
374	Y	97.3	Very high	95	Very high	12 Å²	12	57.2 Å²	57.2	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-33.9	177	-79	-61.4	0	0	0	113	K370 G376 V377 E378 F384 D386 T391 V395 V396 P397 L400 W404	K370-Y374 HydrophobicContact CB-CD2 4.4Å; K370-Y374 HydrophobicContact CB-CE2 4.37Å; K370-Y374 WeakPolarHBondContact O-CD2 3.49Å; K370-Y374 PolarHBondContact O-N 2.93Å; Y374-G376 VanDerWaalsContact C-N 3.25Å; Y374-G376 PolarHBondContact O-N 3.39Å; Y374-V377 PolarHBondContact O-N 2.97Å; Y374-E378 PolarHBondContact O-N 2.85Å; Y374-F384 HydrophobicContact CE1-CD1 4.31Å; Y374-F384 HydrophobicContact CE2-CE1 4.22Å; Y374-D386 WeakPolarHBondContact OH-CB 3.44Å; Y374-D386 PolarHBondContact OH-OD2 2.84Å; Y374-T391 HydrophobicContact CE2-CG2 4.25Å; Y374-V395 HydrophobicContact CD2-CG1 4.36Å; Y374-V396 HydrophobicContact CD1-CG1 4.32Å; Y374-V396 HydrophobicContact CD2-CG2 4.24Å; Y374-V396 HydrophobicContact CE1-CG1 4.27Å; Y374-V396 HydrophobicContact CE1-CG2 4.4Å; Y374-V396 HydrophobicContact CE2-CG2 3.77Å; Y374-P397 VanDerWaalsContact CB-CD 3.44Å; Y374-L400 HydrophobicContact CD1-CD1 4.11Å; Y374-W404 AromaticContact CZ-CD1 3.92Å; Y374-W404 AromaticContact CZ-NE1 3.97Å; Y374-W404 PolarHBondContact OH-NE1 2.96Å
375	F	96.1	Very high	94.6	Very high	115 Å²	115	58.5 Å²	58.5	50%	0.504	31%	0.309	S	S	.	.	H	α-helix	trans	-57.4	-42.9	169	178.7	-88.4	0	0	0	111.2	S371 L372 L373 E378 N379 L380	S371-F375 PolarHBondContact O-N 2.8Å; S371-F375 VanDerWaalsContact O-N 3.11Å; L372-F375 WeakPolarHBondContact O-CB 3.25Å; L372-F375 PolarHBondContact O-N 2.83Å; L373-F375 VanDerWaalsContact C-N 3.3Å; L373-F375 PolarHBondContact O-N 2.97Å; F375-E378 PolarHBondContact O-N 2.94Å; F375-N379 HydrophobicContact CE1-CB 4.32Å; F375-N379 HydrophobicContact CZ-CB 4.26Å; F375-N379 WeakPolarHBondContact O-CB 3.32Å; F375-N379 PolarHBondContact O-N 2.93Å; F375-N379 PolarHBondContact O-ND2 2.93Å; F375-L380 HydrophobicContact CE1-CD1 4.41Å
376	G	94.4	Very high	94.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-39.4	174.1	0	0	0	0	0	113.8	L372 L373 Y374 L380 N381 F382	L372-G376 PolarHBondContact O-N 3.04Å; L372-G376 VanDerWaalsContact O-N 3.16Å; L373-G376 CarbonylContact O-C 3.58Å; L373-G376 WeakPolarHBondContact O-CA 3.26Å; L373-G376 PolarHBondContact O-N 3.24Å; Y374-G376 VanDerWaalsContact C-N 3.25Å; Y374-G376 PolarHBondContact O-N 3.39Å; G376-L380 CarbonylContact O-C 3.57Å; G376-L380 WeakPolarHBondContact O-CA 3.39Å; G376-L380 WeakPolarHBondContact O-CB 3.38Å; G376-L380 PolarHBondContact O-N 3.02Å; G376-N381 PolarHBondContact O-N 2.95Å; G376-F382 WeakPolarHBondContact O-CB 3.38Å; G376-F382 PolarHBondContact O-N 3.47Å
377	V	94.1	Very high	94.1	Very high	41 Å²	41	57.2 Å²	57.2	25%	0.248	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-48.6	175.9	177.9	0	0	0	0	111	L373 Y374 F382 F384 L400	L373-V377 WeakPolarHBondContact O-CG2 3.39Å; L373-V377 PolarHBondContact O-N 2.89Å; Y374-V377 PolarHBondContact O-N 2.97Å; V377-F382 WeakPolarHBondContact CA-O 3.36Å; V377-F384 HydrophobicContact CG2-CB 3.64Å; V377-L400 HydrophobicContact CB-CD1 3.9Å; V377-L400 HydrophobicContact CG1-CD1 3.62Å; V377-L400 HydrophobicContact CG1-CD2 4.27Å
378	E	95.1	Very high	93.8	Very high	81 Å²	81	55.9 Å²	55.9	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-40.5	-177.5	178.7	179.7	-131	0	0	112.4	Y374 F375 P397 S399 L400	Y374-E378 PolarHBondContact O-N 2.85Å; F375-E378 PolarHBondContact O-N 2.94Å; E378-P397 HydrophobicContact CB-CG 4.39Å; E378-P397 WeakPolarHBondContact OE2-CB 3.22Å; E378-S399 WeakPolarHBondContact OE1-CB 3.34Å; E378-S399 PolarHBondContact OE1-OG 3.48Å; E378-L400 HydrophobicContact CB-CD1 4.08Å; E378-L400 HydrophobicContact CB-CG 4.44Å
379	N	93.9	Very high	93.5	Very high	87 Å²	87	51.3 Å²	51.3	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-115	-20.8	-163.4	-60.1	-78.7	0	0	0	114.8	F375	F375-N379 HydrophobicContact CE1-CB 4.32Å; F375-N379 HydrophobicContact CZ-CB 4.26Å; F375-N379 WeakPolarHBondContact O-CB 3.32Å; F375-N379 PolarHBondContact O-N 2.93Å; F375-N379 PolarHBondContact O-ND2 2.93Å
380	L	90.8	Very high	93.2	Very high	59 Å²	59	51.3 Å²	51.3	31%	0.309	28%	0.277	S	S	.	.	S	Bend	trans	-119.8	7.2	-170.7	-59.7	176.1	0	0	0	113.6	R252 A265 L269 F375 G376 F382	R252-L380 PolarHBondContact NH2-O 3.24Å; A265-L380 HydrophobicContact CB-CD1 3.76Å; L269-L380 HydrophobicContact CD1-CB 4.48Å; L269-L380 HydrophobicContact CD1-CD1 3.91Å; F375-L380 HydrophobicContact CE1-CD1 4.41Å; G376-L380 CarbonylContact O-C 3.57Å; G376-L380 WeakPolarHBondContact O-CA 3.39Å; G376-L380 WeakPolarHBondContact O-CB 3.38Å; G376-L380 PolarHBondContact O-N 3.02Å; L380-F382 PolarHBondContact O-N 3.37Å
381	N	87.5	Confident	93.1	Very high	136 Å²	136	51.5 Å²	51.5	73%	0.727	28%	0.278	S	S	*	.			trans	54.7	41.2	-176.1	-167.6	46.3	0	0	0	111.6	G376	G376-N381 PolarHBondContact O-N 2.95Å
382	F	89.5	Confident	92.9	Very high	45 Å²	45	50.6 Å²	50.6	20%	0.197	27%	0.271	C	S	.	.			trans	-88.2	145.1	174.1	-171.9	-104.1	0	0	0	110.2	L269 L373 G376 V377 L380 F384	L269-F382 HydrophobicContact CB-CD1 4.15Å; L269-F382 HydrophobicContact CB-CD2 3.77Å; L269-F382 HydrophobicContact CB-CE1 4.01Å; L269-F382 HydrophobicContact CB-CE2 3.62Å; L269-F382 HydrophobicContact CB-CG 4.04Å; L269-F382 HydrophobicContact CB-CZ 3.75Å; L269-F382 HydrophobicContact CD1-CB 3.92Å; L269-F382 HydrophobicContact CD1-CD1 4.43Å; L269-F382 HydrophobicContact CD1-CD2 4.02Å; L269-F382 HydrophobicContact CD1-CG 3.87Å; L269-F382 HydrophobicContact CG-CG 4.46Å; L269-F382 WeakPolarHBondContact O-CZ 3.41Å; L373-F382 HydrophobicContact CD2-CD1 4.34Å; L373-F382 HydrophobicContact CD2-CE1 3.68Å; L373-F382 HydrophobicContact CD2-CZ 4.42Å; G376-F382 WeakPolarHBondContact O-CB 3.38Å; G376-F382 PolarHBondContact O-N 3.47Å; V377-F382 WeakPolarHBondContact CA-O 3.36Å; L380-F382 PolarHBondContact O-N 3.37Å; F382-F384 HydrophobicContact CD1-CB 4.06Å; F382-F384 HydrophobicContact CE1-CB 4.03Å
383	T	89.4	Confident	92.7	Very high	119 Å²	119	49.5 Å²	49.5	73%	0.73	26%	0.263	S	S	*	.			trans	-99.7	123.5	174.3	-54.5	0	0	0	0	109.1
384	F	91.9	Very high	92.5	Very high	24 Å²	24	55.5 Å²	55.5	11%	0.105	30%	0.295	C	S	.	.			trans	-138	129.6	175.5	172.6	-122.2	0	0	0	109.6	Q276 K370 L373 Y374 V377 F382 D386	Q276-F384 HydrophobicContact CB-CE2 4.13Å; Q276-F384 HydrophobicContact CG-CE2 4.44Å; Q276-F384 HydrophobicContact CG-CZ 4.5Å; K370-F384 HydrophobicContact CG-CE1 4.48Å; K370-F384 HydrophobicContact CG-CZ 4.32Å; L373-F384 HydrophobicContact CB-CD1 3.78Å; L373-F384 HydrophobicContact CB-CD2 4.42Å; L373-F384 HydrophobicContact CB-CE1 4Å; L373-F384 HydrophobicContact CB-CG 4.01Å; L373-F384 HydrophobicContact CB-CZ 4.43Å; L373-F384 HydrophobicContact CD1-CD1 4.49Å; L373-F384 HydrophobicContact CD1-CD2 4Å; L373-F384 HydrophobicContact CD1-CE1 4.16Å; L373-F384 HydrophobicContact CD1-CE2 3.67Å; L373-F384 HydrophobicContact CD1-CG 4.42Å; L373-F384 HydrophobicContact CD1-CZ 3.74Å; L373-F384 HydrophobicContact CD2-CD2 4.21Å; L373-F384 HydrophobicContact CD2-CG 4.36Å; L373-F384 HydrophobicContact CG-CD2 4.46Å; Y374-F384 HydrophobicContact CE1-CD1 4.31Å; Y374-F384 HydrophobicContact CE2-CE1 4.22Å; V377-F384 HydrophobicContact CG2-CB 3.64Å; F382-F384 HydrophobicContact CD1-CB 4.06Å; F382-F384 HydrophobicContact CE1-CB 4.03Å; F384-D386 HydrophobicContact CE1-CB 3.81Å; F384-D386 HydrophobicContact CZ-CB 4.01Å
385	T	89.8	Confident	92.4	Very high	115 Å²	115	56 Å²	56	71%	0.706	30%	0.3	S	S	*	.			trans	-107.3	116.4	170.4	-57.5	0	0	0	0	107.2	P387	T385-P387 WeakPolarHBondContact O-CD 3.41Å
386	D	91.9	Very high	92.3	Very high	15 Å²	15	50.6 Å²	50.6	8%	0.08	28%	0.276	C	S	.	.			trans	-75.5	113.4	-179.3	174.1	24.5	0	0	0	110.6	K370 Y374 F384 D388 T391 K408	K370-D386 VanDerWaalsContact CE-OD1 3.24Å; K370-D386 WeakPolarHBondContact CE-OD1 3.47Å; K370-D386 IonicContact NZ-OD1 2.77Å; Y374-D386 WeakPolarHBondContact OH-CB 3.44Å; Y374-D386 PolarHBondContact OH-OD2 2.84Å; F384-D386 HydrophobicContact CE1-CB 3.81Å; F384-D386 HydrophobicContact CZ-CB 4.01Å; D386-D388 PolarHBondContact O-N 2.9Å; D386-D388 PolarHBondContact OD1-N 3.34Å; D386-T391 VanDerWaalsContact CG-OG1 3.29Å; D386-T391 PolarHBondContact OD1-OG1 2.93Å; D386-T391 WeakPolarHBondContact OD2-CB 3.34Å; D386-T391 PolarHBondContact OD2-OG1 3.39Å; D386-K408 PolarHBondContact O-NZ 3.36Å; D386-K408 WeakPolarHBondContact OD2-CE 3.47Å; D386-K408 IonicContact OD2-NZ 2.85Å; D386-K408 PolarHBondContact OD2-NZ 3.48Å
387	P	91.2	Very high	92.3	Very high	27 Å²	27	51.7 Å²	51.7	18%	0.175	28%	0.284	C	S	.	.			trans	-75.3	-10.1	-173.1	32.7	-37	0	0	0	113.6	Q276 V279 T280 T385	Q276-P387 HydrophobicContact CB-CG 4.43Å; V279-P387 HydrophobicContact CG1-CB 3.74Å; V279-P387 HydrophobicContact CG1-CG 3.73Å; T280-P387 VanDerWaalsContact OG1-CB 3.25Å; T280-P387 WeakPolarHBondContact OG1-CB 3.31Å; T385-P387 WeakPolarHBondContact O-CD 3.41Å
388	D	91.9	Very high	92.3	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.053	31%	0.307	C	S	.	.			trans	-113.9	131.7	-168.5	-75.5	-53.8	0	0	0	112.2	K370 D386 W390 T391 K408	K370-D388 VanDerWaalsContact CE-OD2 3.28Å; K370-D388 WeakPolarHBondContact CE-OD2 3.35Å; K370-D388 VanDerWaalsContact NZ-CG 3.33Å; K370-D388 IonicContact NZ-OD2 2.73Å; K370-D388 PolarHBondContact NZ-OD2 3.21Å; D386-D388 PolarHBondContact O-N 2.9Å; D386-D388 PolarHBondContact OD1-N 3.34Å; D388-W390 VanDerWaalsContact C-N 3.35Å; D388-W390 HydrophobicContact CB-CD2 4.2Å; D388-W390 HydrophobicContact CB-CG 4.31Å; D388-W390 HydrophobicContact CB-CZ2 4.06Å; D388-W390 VanDerWaalsContact CB-NE1 3.31Å; D388-W390 VanDerWaalsContact CG-CE2 3.43Å; D388-W390 PolarHBondContact OD1-NE1 3.39Å; D388-W390 WeakPolarHBondContact OD2-CZ2 3.31Å; D388-T391 PolarHBondContact O-OG1 3.32Å; D388-K408 PolarHBondContact O-NZ 2.95Å
389	L	89.9	Confident	92.3	Very high	20 Å²	20	56.8 Å²	56.8	11%	0.105	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-26.8	-180	-58.5	173	0	0	0	113.5	E293 Y327 T391 K408 I411 I415	E293-L389 HydrophobicContact CB-CD1 4.18Å; Y327-L389 WeakPolarHBondContact OH-CB 3.42Å; L389-T391 VanDerWaalsContact C-N 3.27Å; L389-T391 PolarHBondContact O-N 2.9Å; L389-K408 HydrophobicContact CD2-CD 4.34Å; L389-I411 HydrophobicContact CD2-CB 4.15Å; L389-I411 HydrophobicContact CD2-CG2 3.52Å; L389-I415 HydrophobicContact CD1-CD1 3.15Å; L389-I415 HydrophobicContact CD2-CD1 4.19Å; L389-I415 HydrophobicContact CG-CD1 4.27Å
390	W	93	Very high	92.2	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.038	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	1.8	-175.6	56	-95.3	0	0	0	114.5	F326 Y327 Y362 V363 L367 D388 P392	F326-W390 HydrophobicContact CB-CB 4.03Å; F326-W390 HydrophobicContact CB-CG 4.17Å; F326-W390 HydrophobicContact CD1-CB 4.43Å; F326-W390 AromaticContact CD1-CD1 3.79Å; F326-W390 AromaticContact CD1-CD2 3.51Å; F326-W390 HydrophobicContact CD1-CD2 3.51Å; F326-W390 AromaticContact CD1-CE2 3.55Å; F326-W390 AromaticContact CD1-CE3 3.99Å; F326-W390 HydrophobicContact CD1-CE3 3.99Å; F326-W390 AromaticContact CD1-CG 3.68Å; F326-W390 HydrophobicContact CD1-CG 3.68Å; F326-W390 HydrophobicContact CD1-CZ2 4.12Å; F326-W390 HydrophobicContact CD1-CZ3 4.46Å; F326-W390 AromaticContact CD1-NE1 3.72Å; F326-W390 HydrophobicContact CE1-CD2 4.2Å; F326-W390 AromaticContact CE1-CE2 3.79Å; F326-W390 HydrophobicContact CE1-CH2 4.42Å; F326-W390 AromaticContact CE1-CZ2 3.95Å; F326-W390 HydrophobicContact CE1-CZ2 3.95Å; F326-W390 AromaticContact CE1-NE1 4Å; F326-W390 HydrophobicContact CG-CD2 4.5Å; F326-W390 HydrophobicContact CG-CG 4.44Å; Y327-W390 HydrophobicContact CD1-CB 4.28Å; Y327-W390 HydrophobicContact CE1-CB 3.68Å; Y327-W390 HydrophobicContact CE2-CB 4.09Å; Y327-W390 PolarHBondContact OH-N 2.79Å; Y362-W390 HydrophobicContact CE1-CZ2 4.26Å; V363-W390 HydrophobicContact CG1-CZ3 4.04Å; L367-W390 HydrophobicContact CD2-CE3 4.2Å; L367-W390 HydrophobicContact CD2-CH2 4.26Å; L367-W390 HydrophobicContact CD2-CZ3 3.47Å; L367-W390 VanDerWaalsContact CD2-CZ3 3.47Å; L367-W390 HydrophobicContact CG-CZ3 3.96Å; D388-W390 VanDerWaalsContact C-N 3.35Å; D388-W390 HydrophobicContact CB-CD2 4.2Å; D388-W390 HydrophobicContact CB-CG 4.31Å; D388-W390 HydrophobicContact CB-CZ2 4.06Å; D388-W390 VanDerWaalsContact CB-NE1 3.31Å; D388-W390 VanDerWaalsContact CG-CE2 3.43Å; D388-W390 PolarHBondContact OD1-NE1 3.39Å; D388-W390 WeakPolarHBondContact OD2-CZ2 3.31Å; W390-P392 WeakPolarHBondContact O-CD 3.25Å; W390-P392 VanDerWaalsContact O-N 3.17Å
391	T	94.7	Very high	92.4	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.025	30%	0.295	C	S	.	.			trans	-58.7	118.7	177.8	-59.2	0	0	0	0	110.7	K370 Y374 D386 D388 L389 V395 W404	K370-T391 HydrophobicContact CD-CG2 3.94Å; K370-T391 WeakPolarHBondContact CD-OG1 3.35Å; K370-T391 WeakPolarHBondContact CE-OG1 3.47Å; K370-T391 PolarHBondContact NZ-OG1 2.04Å; Y374-T391 HydrophobicContact CE2-CG2 4.25Å; D386-T391 VanDerWaalsContact CG-OG1 3.29Å; D386-T391 PolarHBondContact OD1-OG1 2.93Å; D386-T391 WeakPolarHBondContact OD2-CB 3.34Å; D386-T391 PolarHBondContact OD2-OG1 3.39Å; D388-T391 PolarHBondContact O-OG1 3.32Å; L389-T391 VanDerWaalsContact C-N 3.27Å; L389-T391 PolarHBondContact O-N 2.9Å; T391-V395 HydrophobicContact CG2-CB 4.33Å; T391-V395 HydrophobicContact CG2-CG1 4.41Å; T391-W404 HydrophobicContact CG2-CZ2 4.5Å; T391-W404 WeakPolarHBondContact O-CH2 3.43Å; T391-W404 VanDerWaalsContact O-CZ2 3.26Å; T391-W404 WeakPolarHBondContact O-CZ2 3.4Å
392	P	94	Very high	92.6	Very high	44 Å²	44	55.6 Å²	55.6	29%	0.286	29%	0.294	S	S	.	.			trans	-64.2	140.5	178.5	-26.5	38.7	0	0	0	112.8	L367 W390 D394 V395	L367-P392 HydrophobicContact CD1-CG 4.25Å; L367-P392 HydrophobicContact CD2-CG 4.18Å; W390-P392 WeakPolarHBondContact O-CD 3.25Å; W390-P392 VanDerWaalsContact O-N 3.17Å; P392-D394 WeakPolarHBondContact CB-OD1 3.31Å; P392-D394 PolarHBondContact O-N 3.35Å; P392-V395 HydrophobicContact CB-CG2 4.33Å; P392-V395 WeakPolarHBondContact O-CB 3.5Å; P392-V395 PolarHBondContact O-N 3.37Å
393	E	92.8	Very high	92.5	Very high	75 Å²	75	58.3 Å²	58.3	35%	0.35	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-61.5	-26.5	-177.6	-175.9	174.9	-169.6	0	0	112.8	V395 V396 R401 W404 R405	E393-V395 VanDerWaalsContact C-N 3.27Å; E393-V395 PolarHBondContact O-N 3.44Å; E393-V396 PolarHBondContact O-N 3.07Å; E393-V396 VanDerWaalsContact O-N 3.12Å; E393-R401 HydrophobicContact CG-CG 3.85Å; E393-R401 PolarHBondContact O-NE 2.99Å; E393-R401 VanDerWaalsContact O-NE 3.13Å; E393-R401 WeakPolarHBondContact OE1-CD 3.46Å; E393-W404 HydrophobicContact CB-CH2 4.43Å; E393-W404 HydrophobicContact CB-CZ3 4.04Å; E393-W404 HydrophobicContact CG-CZ3 4.19Å; E393-R405 IonicContact OE1-CZ 3.47Å; E393-R405 IonicContact OE1-NE 2.98Å; E393-R405 PolarHBondContact OE1-NE 3.24Å; E393-R405 IonicContact OE1-NH2 3.05Å; E393-R405 PolarHBondContact OE1-NH2 3.3Å
394	D	92.5	Very high	92.5	Very high	126 Å²	126	54 Å²	54	67%	0.674	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-69.8	-21.7	177.3	63	-44.7	0	0	0	113.4	P392 V396	P392-D394 WeakPolarHBondContact CB-OD1 3.31Å; P392-D394 PolarHBondContact O-N 3.35Å; D394-V396 VanDerWaalsContact C-N 3.26Å
395	V	95.4	Very high	92.3	Very high	23 Å²	23	59.1 Å²	59.1	14%	0.139	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-72.9	-22.5	171.2	177.8	0	0	0	0	111.6	L367 K370 Y374 T391 P392 E393	L367-V395 HydrophobicContact CB-CG2 4.49Å; L367-V395 HydrophobicContact CD2-CG2 4.26Å; K370-V395 HydrophobicContact CB-CG1 3.97Å; Y374-V395 HydrophobicContact CD2-CG1 4.36Å; T391-V395 HydrophobicContact CG2-CB 4.33Å; T391-V395 HydrophobicContact CG2-CG1 4.41Å; P392-V395 HydrophobicContact CB-CG2 4.33Å; P392-V395 WeakPolarHBondContact O-CB 3.5Å; P392-V395 PolarHBondContact O-N 3.37Å; E393-V395 VanDerWaalsContact C-N 3.27Å; E393-V395 PolarHBondContact O-N 3.44Å
396	V	94.9	Very high	92.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	29%	0.287	C	S	.	.	S	Bend	trans	-90.7	128.4	-179.1	-172	0	0	0	0	110.5	Y374 E393 D394 L400 R401 W404	Y374-V396 HydrophobicContact CD1-CG1 4.32Å; Y374-V396 HydrophobicContact CD2-CG2 4.24Å; Y374-V396 HydrophobicContact CE1-CG1 4.27Å; Y374-V396 HydrophobicContact CE1-CG2 4.4Å; Y374-V396 HydrophobicContact CE2-CG2 3.77Å; E393-V396 PolarHBondContact O-N 3.07Å; E393-V396 VanDerWaalsContact O-N 3.12Å; D394-V396 VanDerWaalsContact C-N 3.26Å; V396-L400 HydrophobicContact CG1-CB 3.95Å; V396-R401 HydrophobicContact CB-CG 4.15Å; V396-R401 HydrophobicContact CG1-CG 4.11Å; V396-R401 PolarHBondContact O-NE 3.37Å; V396-R401 PolarHBondContact O-NH2 2.98Å; V396-W404 HydrophobicContact CG1-CB 4.1Å; V396-W404 HydrophobicContact CG1-CG 4.11Å; V396-W404 HydrophobicContact CG2-CD2 3.85Å; V396-W404 HydrophobicContact CG2-CE3 4.37Å; V396-W404 HydrophobicContact CG2-CG 4.07Å; V396-W404 HydrophobicContact CG2-CZ2 4.24Å
397	P	95.1	Very high	91.8	Very high	24 Å²	24	61.3 Å²	61.3	16%	0.156	31%	0.31	C	S	.	.			trans	-56.2	143.1	174.6	-25.8	33	0	0	0	112.9	Y374 E378 S399 L400 R401	Y374-P397 VanDerWaalsContact CB-CD 3.44Å; E378-P397 HydrophobicContact CB-CG 4.39Å; E378-P397 WeakPolarHBondContact OE2-CB 3.22Å; P397-S399 PolarHBondContact O-N 2.94Å; P397-S399 VanDerWaalsContact O-N 3.11Å; P397-L400 HydrophobicContact CG-CD1 4.29Å; P397-L400 PolarHBondContact O-N 2.84Å; P397-R401 WeakPolarHBondContact O-CG 3.49Å; P397-R401 PolarHBondContact O-N 3Å; P397-R401 VanDerWaalsContact O-N 3.16Å
398	E	94.1	Very high	91.4	Very high	157 Å²	157	60.7 Å²	60.7	73%	0.734	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-36	-175.5	-68.8	-168.5	163.5	0	0	113.5	L400 R401	E398-L400 VanDerWaalsContact C-N 3.25Å; E398-L400 PolarHBondContact O-N 2.75Å; E398-R401 IonicContact OE1-NH1 3.91Å
399	S	93.6	Very high	90.9	Very high	72 Å²	72	65.6 Å²	65.6	50%	0.503	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.4	178.5	64.4	0	0	0	0	113.2	E378 P397	E378-S399 WeakPolarHBondContact OE1-CB 3.34Å; E378-S399 PolarHBondContact OE1-OG 3.48Å; P397-S399 PolarHBondContact O-N 2.94Å; P397-S399 VanDerWaalsContact O-N 3.11Å
400	L	93.1	Very high	90.4	Very high	35 Å²	35	68 Å²	68	18%	0.183	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-22.2	-175.3	-59.6	-178.2	0	0	0	113.2	Y374 V377 E378 V396 P397 E398 K402 N403 W404	Y374-L400 HydrophobicContact CD1-CD1 4.11Å; V377-L400 HydrophobicContact CB-CD1 3.9Å; V377-L400 HydrophobicContact CG1-CD1 3.62Å; V377-L400 HydrophobicContact CG1-CD2 4.27Å; E378-L400 HydrophobicContact CB-CD1 4.08Å; E378-L400 HydrophobicContact CB-CG 4.44Å; V396-L400 HydrophobicContact CG1-CB 3.95Å; P397-L400 HydrophobicContact CG-CD1 4.29Å; P397-L400 PolarHBondContact O-N 2.84Å; E398-L400 VanDerWaalsContact C-N 3.25Å; E398-L400 PolarHBondContact O-N 2.75Å; L400-K402 PolarHBondContact O-N 2.94Å; L400-K402 VanDerWaalsContact O-N 3.07Å; L400-N403 PolarHBondContact O-N 3.34Å; L400-W404 WeakPolarHBondContact O-CB 3.41Å; L400-W404 PolarHBondContact O-N 2.84Å
401	R	93.8	Very high	89.5	Confident	57 Å²	57	69.9 Å²	69.9	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-50.6	-38.6	-173.9	-76.4	178	-173.3	164.5	6.3	114.3	E393 V396 P397 E398 R405	E393-R401 HydrophobicContact CG-CG 3.85Å; E393-R401 PolarHBondContact O-NE 2.99Å; E393-R401 VanDerWaalsContact O-NE 3.13Å; E393-R401 WeakPolarHBondContact OE1-CD 3.46Å; V396-R401 HydrophobicContact CB-CG 4.15Å; V396-R401 HydrophobicContact CG1-CG 4.11Å; V396-R401 PolarHBondContact O-NE 3.37Å; V396-R401 PolarHBondContact O-NH2 2.98Å; P397-R401 WeakPolarHBondContact O-CG 3.49Å; P397-R401 PolarHBondContact O-N 3Å; P397-R401 VanDerWaalsContact O-N 3.16Å; E398-R401 IonicContact OE1-NH1 3.91Å; R401-R405 VanDerWaalsContact O-CB 3.29Å; R401-R405 WeakPolarHBondContact O-CB 3.43Å; R401-R405 WeakPolarHBondContact O-CG 3.42Å; R401-R405 PolarHBondContact O-N 3.07Å
402	K	91.2	Very high	88.5	Confident	164 Å²	164	72.9 Å²	72.9	71%	0.713	37%	0.369	S	S	*	.	H	α-helix	trans	-63.9	-47.7	179.9	-175.1	-175.6	175.8	-173.1	0	111.9	L400 A406	L400-K402 PolarHBondContact O-N 2.94Å; L400-K402 VanDerWaalsContact O-N 3.07Å; K402-A406 PolarHBondContact O-N 2.8Å
403	N	87.7	Confident	87.5	Confident	103 Å²	103	75 Å²	75	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-70.8	-43.8	-179.5	-66.1	-8.5	0	0	0	110	L400 R405 A406 E407	L400-N403 PolarHBondContact O-N 3.34Å; N403-R405 VanDerWaalsContact C-N 3.35Å; N403-R405 PolarHBondContact O-N 3.12Å; N403-A406 WeakPolarHBondContact O-CB 3.5Å; N403-A406 PolarHBondContact O-N 2.81Å; N403-A406 VanDerWaalsContact O-N 3.08Å; N403-E407 PolarHBondContact O-N 2.79Å
404	W	89.3	Confident	86.3	Confident	27 Å²	27	78 Å²	78	10%	0.102	39%	0.388	C	S	.	.	H	α-helix	trans	-57.1	-44.6	175.4	177.6	84.4	0	0	0	112.5	Y374 T391 E393 V396 L400 A406 E407 K408	Y374-W404 AromaticContact CZ-CD1 3.92Å; Y374-W404 AromaticContact CZ-NE1 3.97Å; Y374-W404 PolarHBondContact OH-NE1 2.96Å; T391-W404 HydrophobicContact CG2-CZ2 4.5Å; T391-W404 WeakPolarHBondContact O-CH2 3.43Å; T391-W404 VanDerWaalsContact O-CZ2 3.26Å; T391-W404 WeakPolarHBondContact O-CZ2 3.4Å; E393-W404 HydrophobicContact CB-CH2 4.43Å; E393-W404 HydrophobicContact CB-CZ3 4.04Å; E393-W404 HydrophobicContact CG-CZ3 4.19Å; V396-W404 HydrophobicContact CG1-CB 4.1Å; V396-W404 HydrophobicContact CG1-CG 4.11Å; V396-W404 HydrophobicContact CG2-CD2 3.85Å; V396-W404 HydrophobicContact CG2-CE3 4.37Å; V396-W404 HydrophobicContact CG2-CG 4.07Å; V396-W404 HydrophobicContact CG2-CZ2 4.24Å; L400-W404 WeakPolarHBondContact O-CB 3.41Å; L400-W404 PolarHBondContact O-N 2.84Å; W404-A406 VanDerWaalsContact C-N 3.33Å; W404-A406 PolarHBondContact O-N 3.37Å; W404-E407 PolarHBondContact O-N 3.19Å; W404-K408 HydrophobicContact CD2-CG 4.03Å; W404-K408 HydrophobicContact CE3-CG 4.48Å; W404-K408 HydrophobicContact CH2-CG 4.23Å; W404-K408 HydrophobicContact CZ2-CD 4.33Å; W404-K408 HydrophobicContact CZ2-CG 3.76Å; W404-K408 VanDerWaalsContact NE1-CE 3.33Å; W404-K408 WeakPolarHBondContact O-CG 3.46Å; W404-K408 PolarHBondContact O-N 2.83Å
405	R	88.9	Confident	85	Confident	132 Å²	132	73.7 Å²	73.7	50%	0.498	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-40.5	174.4	-84.5	-171.9	-106	152.1	-10.2	112.5	E393 R401 N403 Q409	E393-R405 IonicContact OE1-CZ 3.47Å; E393-R405 IonicContact OE1-NE 2.98Å; E393-R405 PolarHBondContact OE1-NE 3.24Å; E393-R405 IonicContact OE1-NH2 3.05Å; E393-R405 PolarHBondContact OE1-NH2 3.3Å; R401-R405 VanDerWaalsContact O-CB 3.29Å; R401-R405 WeakPolarHBondContact O-CB 3.43Å; R401-R405 WeakPolarHBondContact O-CG 3.42Å; R401-R405 PolarHBondContact O-N 3.07Å; N403-R405 VanDerWaalsContact C-N 3.35Å; N403-R405 PolarHBondContact O-N 3.12Å; R405-Q409 WeakPolarHBondContact O-CB 3.21Å; R405-Q409 PolarHBondContact O-N 3.16Å
406	A	86.1	Confident	83.3	Confident	53 Å²	53	78.4 Å²	78.4	44%	0.438	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-42.7	177.4	0	0	0	0	0	111.2	K402 N403 W404 Q409 V410	K402-A406 PolarHBondContact O-N 2.8Å; N403-A406 WeakPolarHBondContact O-CB 3.5Å; N403-A406 PolarHBondContact O-N 2.81Å; N403-A406 VanDerWaalsContact O-N 3.08Å; W404-A406 VanDerWaalsContact C-N 3.33Å; W404-A406 PolarHBondContact O-N 3.37Å; A406-Q409 PolarHBondContact O-N 3.24Å; A406-V410 WeakPolarHBondContact O-CG2 3.44Å; A406-V410 PolarHBondContact O-N 3.46Å
407	E	83.6	Confident	81.2	Confident	123 Å²	123	84.8 Å²	84.8	58%	0.575	41%	0.412	S	S	*	.	H	α-helix	trans	-63.1	-48.8	175.6	-71.1	173.5	-175.4	0	0	111.8	N403 W404 Q409 V410 I411	N403-E407 PolarHBondContact O-N 2.79Å; W404-E407 PolarHBondContact O-N 3.19Å; E407-Q409 VanDerWaalsContact C-N 3.3Å; E407-Q409 PolarHBondContact O-N 3.37Å; E407-V410 PolarHBondContact O-N 3.44Å; E407-I411 WeakPolarHBondContact O-CG1 3.37Å; E407-I411 PolarHBondContact O-N 2.63Å
408	K	83	Confident	78.8	Confident	14 Å²	14	86 Å²	86	6%	0.061	43%	0.428	C	S	.	.	H	α-helix	trans	-63.3	-35.3	176.1	-68.4	-60.3	-175.7	-171.1	0	112.4	D386 D388 L389 W404 I411 N412	D386-K408 PolarHBondContact O-NZ 3.36Å; D386-K408 WeakPolarHBondContact OD2-CE 3.47Å; D386-K408 IonicContact OD2-NZ 2.85Å; D386-K408 PolarHBondContact OD2-NZ 3.48Å; D388-K408 PolarHBondContact O-NZ 2.95Å; L389-K408 HydrophobicContact CD2-CD 4.34Å; W404-K408 HydrophobicContact CD2-CG 4.03Å; W404-K408 HydrophobicContact CE3-CG 4.48Å; W404-K408 HydrophobicContact CH2-CG 4.23Å; W404-K408 HydrophobicContact CZ2-CD 4.33Å; W404-K408 HydrophobicContact CZ2-CG 3.76Å; W404-K408 VanDerWaalsContact NE1-CE 3.33Å; W404-K408 WeakPolarHBondContact O-CG 3.46Å; W404-K408 PolarHBondContact O-N 2.83Å; K408-I411 PolarHBondContact O-N 2.91Å; K408-N412 VanDerWaalsContact O-CB 3.28Å; K408-N412 WeakPolarHBondContact O-CB 3.35Å; K408-N412 VanDerWaalsContact O-CG 3.28Å; K408-N412 PolarHBondContact O-N 2.95Å; K408-N412 PolarHBondContact O-ND2 3.48Å
409	Q	82.8	Confident	76.2	Confident	113 Å²	113	84.4 Å²	84.4	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-42.8	175.5	-177.4	173.2	-7.5	0	0	111.1	R405 A406 E407 I411 N412 E413	R405-Q409 WeakPolarHBondContact O-CB 3.21Å; R405-Q409 PolarHBondContact O-N 3.16Å; A406-Q409 PolarHBondContact O-N 3.24Å; E407-Q409 VanDerWaalsContact C-N 3.3Å; E407-Q409 PolarHBondContact O-N 3.37Å; Q409-I411 VanDerWaalsContact C-N 3.32Å; Q409-I411 PolarHBondContact O-N 3.3Å; Q409-N412 PolarHBondContact O-N 2.87Å; Q409-E413 HydrophobicContact CG-CG 4.28Å; Q409-E413 WeakPolarHBondContact CG-OE1 3.3Å; Q409-E413 PolarHBondContact NE2-OE1 3.43Å; Q409-E413 VanDerWaalsContact O-CB 3.3Å; Q409-E413 WeakPolarHBondContact O-CB 3.17Å; Q409-E413 VanDerWaalsContact O-CG 3.26Å; Q409-E413 WeakPolarHBondContact O-CG 2.99Å; Q409-E413 PolarHBondContact O-N 3.47Å
410	V	79.2	Confident	73.4	Confident	72 Å²	72	88.4 Å²	88.4	44%	0.436	44%	0.436	S	S	.	.	H	α-helix	trans	-61.8	-41.8	175.3	170.7	0	0	0	0	111.2	A406 E407 E413 K414	A406-V410 WeakPolarHBondContact O-CG2 3.44Å; A406-V410 PolarHBondContact O-N 3.46Å; E407-V410 PolarHBondContact O-N 3.44Å; V410-E413 PolarHBondContact O-N 3.16Å; V410-K414 HydrophobicContact CG1-CD 4.47Å; V410-K414 VanDerWaalsContact O-CG 3.31Å; V410-K414 WeakPolarHBondContact O-CG 3.09Å; V410-K414 PolarHBondContact O-N 3.13Å
411	I	73.3	Confident	71	Confident	49 Å²	49	89.2 Å²	89.2	25%	0.251	44%	0.44	S	S	.	.	H	α-helix	trans	-67.4	-45.6	177.8	-59.2	163.2	0	0	0	110.5	L389 E407 K408 Q409 E413 K414 I415	L389-I411 HydrophobicContact CD2-CB 4.15Å; L389-I411 HydrophobicContact CD2-CG2 3.52Å; E407-I411 WeakPolarHBondContact O-CG1 3.37Å; E407-I411 PolarHBondContact O-N 2.63Å; K408-I411 PolarHBondContact O-N 2.91Å; Q409-I411 VanDerWaalsContact C-N 3.32Å; Q409-I411 PolarHBondContact O-N 3.3Å; I411-E413 VanDerWaalsContact C-N 3.31Å; I411-E413 PolarHBondContact O-N 2.87Å; I411-K414 WeakPolarHBondContact O-CB 3.04Å; I411-K414 PolarHBondContact O-N 3.08Å; I411-K414 VanDerWaalsContact O-N 3.17Å; I411-I415 HydrophobicContact CG2-CD1 3.78Å; I411-I415 HydrophobicContact CG2-CG1 4.38Å; I411-I415 VanDerWaalsContact O-CG1 3.3Å; I411-I415 WeakPolarHBondContact O-CG1 3.11Å; I411-I415 PolarHBondContact O-N 3.29Å
412	N	74.6	Confident	68.8	Low	66 Å²	66	94.5 Å²	94.5	35%	0.353	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-31.7	176.9	-75.5	-16.4	0	0	0	113.1	K408 Q409 I415 K416	K408-N412 VanDerWaalsContact O-CB 3.28Å; K408-N412 WeakPolarHBondContact O-CB 3.35Å; K408-N412 VanDerWaalsContact O-CG 3.28Å; K408-N412 PolarHBondContact O-N 2.95Å; K408-N412 PolarHBondContact O-ND2 3.48Å; Q409-N412 PolarHBondContact O-N 2.87Å; N412-I415 PolarHBondContact O-N 3Å; N412-K416 WeakPolarHBondContact O-CB 3.43Å; N412-K416 VanDerWaalsContact O-CG 3.26Å; N412-K416 WeakPolarHBondContact O-CG 3.35Å; N412-K416 PolarHBondContact O-N 2.91Å
413	E	73.3	Confident	67	Low	90 Å²	90	88.3 Å²	88.3	42%	0.421	44%	0.441	S	S	.	.	H	α-helix	trans	-66.6	-45	172	-78.8	171.2	-177.1	0	0	110	Q409 V410 I411 I415 K416 E417	Q409-E413 HydrophobicContact CG-CG 4.28Å; Q409-E413 WeakPolarHBondContact CG-OE1 3.3Å; Q409-E413 PolarHBondContact NE2-OE1 3.43Å; Q409-E413 VanDerWaalsContact O-CB 3.3Å; Q409-E413 WeakPolarHBondContact O-CB 3.17Å; Q409-E413 VanDerWaalsContact O-CG 3.26Å; Q409-E413 WeakPolarHBondContact O-CG 2.99Å; Q409-E413 PolarHBondContact O-N 3.47Å; V410-E413 PolarHBondContact O-N 3.16Å; I411-E413 VanDerWaalsContact C-N 3.31Å; I411-E413 PolarHBondContact O-N 2.87Å; E413-I415 VanDerWaalsContact C-N 3.31Å; E413-I415 PolarHBondContact O-N 2.67Å; E413-K416 PolarHBondContact O-N 3.4Å; E413-E417 VanDerWaalsContact O-CB 3.32Å; E413-E417 WeakPolarHBondContact O-CB 3.35Å; E413-E417 VanDerWaalsContact O-CG 3.26Å; E413-E417 WeakPolarHBondContact O-CG 3.02Å; E413-E417 PolarHBondContact O-N 3.47Å
414	K	67.7	Low	65.4	Low	138 Å²	138	87.7 Å²	87.7	60%	0.6	44%	0.44	S	S	*	.	H	α-helix	trans	-60.6	-38.1	172.7	-71.2	174	179.1	-175.5	0	113.1	V410 I411 E417 G418	V410-K414 HydrophobicContact CG1-CD 4.47Å; V410-K414 VanDerWaalsContact O-CG 3.31Å; V410-K414 WeakPolarHBondContact O-CG 3.09Å; V410-K414 PolarHBondContact O-N 3.13Å; I411-K414 WeakPolarHBondContact O-CB 3.04Å; I411-K414 PolarHBondContact O-N 3.08Å; I411-K414 VanDerWaalsContact O-N 3.17Å; K414-E417 CarbonylContact O-C 3.57Å; K414-G418 PolarHBondContact O-N 3.28Å
415	I	64.9	Low	64.1	Low	34 Å²	34	87.3 Å²	87.3	17%	0.174	44%	0.44	C	S	.	.	H	α-helix	trans	-72.5	-41.9	177.6	-67.4	165.2	0	0	0	110.7	E293 L389 I411 N412 E413 E417 G418 D419	E293-I415 HydrophobicContact CB-CD1 3.95Å; E293-I415 HydrophobicContact CB-CG1 4.43Å; E293-I415 HydrophobicContact CG-CD1 3.79Å; E293-I415 HydrophobicContact CG-CG1 4.07Å; L389-I415 HydrophobicContact CD1-CD1 3.15Å; L389-I415 HydrophobicContact CD2-CD1 4.19Å; L389-I415 HydrophobicContact CG-CD1 4.27Å; I411-I415 HydrophobicContact CG2-CD1 3.78Å; I411-I415 HydrophobicContact CG2-CG1 4.38Å; I411-I415 VanDerWaalsContact O-CG1 3.3Å; I411-I415 WeakPolarHBondContact O-CG1 3.11Å; I411-I415 PolarHBondContact O-N 3.29Å; N412-I415 PolarHBondContact O-N 3Å; E413-I415 VanDerWaalsContact C-N 3.31Å; E413-I415 PolarHBondContact O-N 2.67Å; I415-E417 VanDerWaalsContact C-N 3.29Å; I415-E417 PolarHBondContact O-N 3.35Å; I415-G418 CarbonylContact O-C 3.41Å; I415-G418 VanDerWaalsContact O-CA 3.26Å; I415-G418 WeakPolarHBondContact O-CA 3.15Å; I415-G418 PolarHBondContact O-N 2.95Å; I415-D419 VanDerWaalsContact CG2-OD2 3.31Å; I415-D419 WeakPolarHBondContact CG2-OD2 3.41Å; I415-D419 WeakPolarHBondContact O-CB 3.43Å; I415-D419 PolarHBondContact O-N 2.91Å
416	K	58.8	Low	62.7	Low	123 Å²	123	86.4 Å²	86.4	54%	0.535	45%	0.446	S	S	.	.	H	α-helix	trans	-64.7	-36.3	173.9	-76	175.3	-178.6	-179.6	0	111.8	N412 E413 G418 Q420	N412-K416 WeakPolarHBondContact O-CB 3.43Å; N412-K416 VanDerWaalsContact O-CG 3.26Å; N412-K416 WeakPolarHBondContact O-CG 3.35Å; N412-K416 PolarHBondContact O-N 2.91Å; E413-K416 PolarHBondContact O-N 3.4Å; K416-G418 PolarHBondContact O-N 2.78Å; K416-Q420 HydrophobicContact CB-CG 4.4Å; K416-Q420 WeakPolarHBondContact O-CB 3.5Å; K416-Q420 WeakPolarHBondContact O-CG 3.39Å; K416-Q420 PolarHBondContact O-N 3.47Å
417	E	50.5	Low	61.9	Low	135 Å²	135	84.4 Å²	84.4	63%	0.631	43%	0.428	S	S	*	.	H	α-helix	trans	-65.2	-17	167.1	-73.3	174.8	-174	0	0	112.5	E413 K414 I415 I421	E413-E417 VanDerWaalsContact O-CB 3.32Å; E413-E417 WeakPolarHBondContact O-CB 3.35Å; E413-E417 VanDerWaalsContact O-CG 3.26Å; E413-E417 WeakPolarHBondContact O-CG 3.02Å; E413-E417 PolarHBondContact O-N 3.47Å; K414-E417 CarbonylContact O-C 3.57Å; I415-E417 VanDerWaalsContact C-N 3.29Å; I415-E417 PolarHBondContact O-N 3.35Å; E417-I421 WeakPolarHBondContact O-CD1 3.48Å; E417-I421 WeakPolarHBondContact O-CG1 3Å
418	G	44.8	Very low	61.3	Low	48 Å²	48	79.6 Å²	79.6	50%	0.495	41%	0.411	S	S	.	.	H	α-helix	trans	-92.5	-42.3	172.4	0	0	0	0	0	114.4	K414 I415 K416	K414-G418 PolarHBondContact O-N 3.28Å; I415-G418 CarbonylContact O-C 3.41Å; I415-G418 VanDerWaalsContact O-CA 3.26Å; I415-G418 WeakPolarHBondContact O-CA 3.15Å; I415-G418 PolarHBondContact O-N 2.95Å; K416-G418 PolarHBondContact O-N 2.78Å
419	D	39.2	Very low	61.2	Low	124 Å²	124	79 Å²	79	66%	0.663	41%	0.409	S	S	*	.	H	α-helix	trans	-91.8	-27	-171.4	-77.2	-17.6	0	0	0	113.8	I415 I421	I415-D419 VanDerWaalsContact CG2-OD2 3.31Å; I415-D419 WeakPolarHBondContact CG2-OD2 3.41Å; I415-D419 WeakPolarHBondContact O-CB 3.43Å; I415-D419 PolarHBondContact O-N 2.91Å; D419-I421 VanDerWaalsContact C-N 3.31Å
420	Q	36.6	Very low	61.3	Low	157 Å²	157	80 Å²	80	73%	0.734	41%	0.409	S	S	*	.	S	Bend	trans	-82.6	-8.6	-179.5	-66.1	-162.9	-26.5	0	0	113.9	K416 E422	K416-Q420 HydrophobicContact CB-CG 4.4Å; K416-Q420 WeakPolarHBondContact O-CB 3.5Å; K416-Q420 WeakPolarHBondContact O-CG 3.39Å; K416-Q420 PolarHBondContact O-N 3.47Å; Q420-E422 PolarHBondContact O-N 2.9Å
421	I	42	Very low	61.6	Low	51 Å²	51	77.1 Å²	77.1	26%	0.262	39%	0.392	S	S	.	.			trans	-93.9	105.2	-178.4	-20.2	-174.7	0	0	0	108.1	E417 D419 E423 V424	E417-I421 WeakPolarHBondContact O-CD1 3.48Å; E417-I421 WeakPolarHBondContact O-CG1 3Å; D419-I421 VanDerWaalsContact C-N 3.31Å; I421-E423 HydrophobicContact CB-CB 4.46Å; I421-E423 HydrophobicContact CB-CG 4.11Å; I421-E423 PolarHBondContact O-N 2.93Å; I421-V424 HydrophobicContact CG2-CB 4.28Å; I421-V424 HydrophobicContact CG2-CG2 4.05Å
422	E	46.8	Very low	62.3	Low	168 Å²	168	77.5 Å²	77.5	79%	0.785	41%	0.409	S	S	*	.	S	Bend		-48	89.7	128.8	-93.8	-166.1	148.1	0	0	102.8	Q420 V424	Q420-E422 PolarHBondContact O-N 2.9Å; E422-V424 HydrophobicContact CB-CG2 4.4Å; E422-V424 WeakPolarHBondContact O-CA 3.23Å; E422-V424 WeakPolarHBondContact O-CG2 3.25Å; E422-V424 PolarHBondContact O-N 2.87Å
423	E	53.6	Low	63	Low	34 Å²	34	75 Å²	75	16%	0.159	40%	0.398	C	S	.	.			trans	-44.3	88.7	-164	-84.5	176.5	135.9	0	0	110.8	I421 C583 R615 P638 V639	I421-E423 HydrophobicContact CB-CB 4.46Å; I421-E423 HydrophobicContact CB-CG 4.11Å; I421-E423 PolarHBondContact O-N 2.93Å; E423-C583 WeakPolarHBondContact OE1-CB 3.14Å; E423-R615 WeakPolarHBondContact OE2-CD 3.45Å; E423-R615 IonicContact OE2-CZ 3.68Å; E423-R615 IonicContact OE2-NE 3.72Å; E423-R615 IonicContact OE2-NH1 3.2Å; E423-R615 PolarHBondContact OE2-NH1 3.08Å; E423-P638 HydrophobicContact CB-CB 3.97Å; E423-P638 HydrophobicContact CB-CG 3.74Å; E423-P638 VanDerWaalsContact CD-CG 3.41Å; E423-P638 HydrophobicContact CG-CB 4.11Å; E423-P638 HydrophobicContact CG-CG 3.84Å; E423-P638 WeakPolarHBondContact OE1-CB 3.24Å; E423-P638 WeakPolarHBondContact OE1-CG 2.94Å; E423-P638 WeakPolarHBondContact OE2-CB 3.42Å; E423-V639 WeakPolarHBondContact O-CG1 3.39Å
424	V	53.7	Low	63.8	Low	90 Å²	90	74.7 Å²	74.7	55%	0.545	41%	0.406	S	S	.	.			trans	-87.9	149.5	-178.8	-157.7	0	0	0	0	101.3	I421 E422 D426	I421-V424 HydrophobicContact CG2-CB 4.28Å; I421-V424 HydrophobicContact CG2-CG2 4.05Å; E422-V424 HydrophobicContact CB-CG2 4.4Å; E422-V424 WeakPolarHBondContact O-CA 3.23Å; E422-V424 WeakPolarHBondContact O-CG2 3.25Å; E422-V424 PolarHBondContact O-N 2.87Å; V424-D426 VanDerWaalsContact C-N 3.26Å; V424-D426 PolarHBondContact O-N 3.17Å
425	D	62.4	Low	64.9	Low	20 Å²	20	69.7 Å²	69.7	11%	0.107	39%	0.387	C	S	.	.			trans	-67.2	88.4	-178	-169.3	3.4	0	0	0	111.8	S427 N453 S635 V639	D425-S427 PolarHBondContact O-N 2.56Å; D425-S427 WeakPolarHBondContact OD1-CB 3.24Å; D425-S427 PolarHBondContact OD1-N 3.38Å; D425-S427 VanDerWaalsContact OD1-N 3.12Å; D425-S427 PolarHBondContact OD1-OG 3.41Å; D425-S427 PolarHBondContact OD2-OG 3.48Å; D425-N453 HydrophobicContact CB-CB 4.49Å; D425-N453 WeakPolarHBondContact CB-ND2 3.43Å; D425-N453 VanDerWaalsContact CG-ND2 3.29Å; D425-N453 WeakPolarHBondContact OD2-CB 3.37Å; D425-N453 VanDerWaalsContact OD2-CG 3.24Å; D425-N453 PolarHBondContact OD2-ND2 2.94Å; D425-S635 PolarHBondContact OD1-OG 3.31Å; D425-S635 WeakPolarHBondContact OD2-CB 3.32Å; D425-S635 PolarHBondContact OD2-OG 3.08Å; D425-V639 HydrophobicContact CB-CG1 4.08Å; D425-V639 HydrophobicContact CB-CG2 3.75Å
426	D	60.2	Low	65.8	Low	113 Å²	113	72 Å²	72	60%	0.604	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	22.4	174.6	-168.4	33	0	0	0	112	V424 G428	V424-D426 VanDerWaalsContact C-N 3.26Å; V424-D426 PolarHBondContact O-N 3.17Å; D426-G428 PolarHBondContact O-N 3.08Å; D426-G428 VanDerWaalsContact O-N 3.17Å
427	S	68.4	Low	67.2	Low	10 Å²	10	69 Å²	69	7%	0.07	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.7	170.5	61.2	0	0	0	0	112.6	D425 F429 K661	D425-S427 PolarHBondContact O-N 2.56Å; D425-S427 WeakPolarHBondContact OD1-CB 3.24Å; D425-S427 PolarHBondContact OD1-N 3.38Å; D425-S427 VanDerWaalsContact OD1-N 3.12Å; D425-S427 PolarHBondContact OD1-OG 3.41Å; D425-S427 PolarHBondContact OD2-OG 3.48Å; S427-F429 PolarHBondContact O-N 2.96Å; S427-F429 WeakPolarHBondContact OG-CB 3.36Å; S427-F429 WeakPolarHBondContact OG-CD2 3.23Å; S427-F429 PolarHBondContact OG-N 3.47Å; S427-K661 PolarHBondContact O-NZ 3.36Å
428	G	70.9	Confident	68.9	Low	22 Å²	22	69.8 Å²	69.8	23%	0.227	41%	0.406	C	S	.	.	S	Bend	trans	73.5	12.8	-171.7	0	0	0	0	0	112.7	D426 Y430	D426-G428 PolarHBondContact O-N 3.08Å; D426-G428 VanDerWaalsContact O-N 3.17Å; G428-Y430 WeakPolarHBondContact O-CE2 3.36Å
429	F	81.4	Confident	71.1	Confident	1 Å²	1	70.4 Å²	70.4	0%	0.004	41%	0.412	C	S	.	.			trans	-91.1	146.3	169.1	-62.4	-58.2	0	0	0	110.5	S427 N453 F536 S538 L542 D594 L595 K661	S427-F429 PolarHBondContact O-N 2.96Å; S427-F429 WeakPolarHBondContact OG-CB 3.36Å; S427-F429 WeakPolarHBondContact OG-CD2 3.23Å; S427-F429 PolarHBondContact OG-N 3.47Å; F429-N453 PolarHBondContact O-ND2 3.45Å; F429-F536 WeakPolarHBondContact CA-O 3.09Å; F429-F536 HydrophobicContact CB-CB 3.94Å; F429-F536 HydrophobicContact CB-CD1 4.33Å; F429-F536 HydrophobicContact CB-CG 4.35Å; F429-F536 HydrophobicContact CD1-CB 3.96Å; F429-F536 HydrophobicContact CG-CB 4.16Å; F429-S538 VanDerWaalsContact CD1-CB 3.46Å; F429-L542 HydrophobicContact CE1-CD1 4.19Å; F429-L542 HydrophobicContact CZ-CD1 4.16Å; F429-D594 HydrophobicContact CE2-CB 3.65Å; F429-D594 WeakPolarHBondContact CE2-O 3.41Å; F429-D594 HydrophobicContact CZ-CB 3.79Å; F429-L595 HydrophobicContact CB-CD2 4.42Å; F429-L595 HydrophobicContact CD1-CD1 3.91Å; F429-L595 HydrophobicContact CD1-CD2 4.23Å; F429-L595 HydrophobicContact CD1-CG 4.14Å; F429-L595 HydrophobicContact CD2-CD1 4.31Å; F429-L595 HydrophobicContact CD2-CD2 3.36Å; F429-L595 HydrophobicContact CD2-CG 3.64Å; F429-L595 HydrophobicContact CE1-CD1 3.65Å; F429-L595 HydrophobicContact CE1-CD2 4.43Å; F429-L595 HydrophobicContact CE1-CG 3.86Å; F429-L595 HydrophobicContact CE2-CD1 4.19Å; F429-L595 HydrophobicContact CE2-CD2 3.73Å; F429-L595 HydrophobicContact CE2-CG 3.45Å; F429-L595 VanDerWaalsContact CE2-CG 3.45Å; F429-L595 HydrophobicContact CG-CD1 4.27Å; F429-L595 HydrophobicContact CG-CD2 3.74Å; F429-L595 HydrophobicContact CG-CG 4.07Å; F429-L595 HydrophobicContact CZ-CD1 3.86Å; F429-L595 HydrophobicContact CZ-CD2 4.25Å; F429-L595 HydrophobicContact CZ-CG 3.56Å; F429-K661 HydrophobicContact CZ-CD 4.39Å; F429-K661 HydrophobicContact CZ-CG 4.28Å
430	Y	84.5	Confident	73.7	Confident	136 Å²	136	65.1 Å²	65.1	53%	0.533	38%	0.384	S	S	.	.			trans	-138.5	111	177.9	-56.3	-88	0	0	0	109.6	G428 N453 F536 R537	G428-Y430 WeakPolarHBondContact O-CE2 3.36Å; Y430-N453 WeakPolarHBondContact CA-OD1 3.5Å; Y430-F536 PolarHBondContact N-O 3.46Å; Y430-F536 CarbonylContact O-C 3.57Å; Y430-F536 WeakPolarHBondContact O-CA 3.33Å; Y430-R537 VanDerWaalsContact CB-CZ 3.45Å; Y430-R537 VanDerWaalsContact CB-NH2 3.26Å; Y430-R537 PolarHBondContact O-NE 3.03Å
431	A	87	Confident	76.6	Confident	10 Å²	10	61.7 Å²	61.7	8%	0.083	37%	0.374	C	S	.	.	S	Bend	trans	-57.6	164.7	176	0	0	0	0	0	112.8	N453 Y535 F536 R537	A431-N453 WeakPolarHBondContact CB-OD1 3.42Å; A431-N453 PolarHBondContact N-OD1 3.45Å; A431-Y535 HydrophobicContact CB-CE1 3.68Å; A431-F536 HydrophobicContact CB-CD1 4.27Å; A431-F536 HydrophobicContact CB-CE1 4.15Å; A431-R537 PolarHBondContact O-NE 3.25Å; A431-R537 PolarHBondContact O-NH2 2.98Å
432	G	86.9	Confident	79.2	Confident	58 Å²	58	62.9 Å²	62.9	60%	0.598	38%	0.38	S	S	*	.			trans	89.5	14	178.8	0	0	0	0	0	115.2
433	G	88.9	Confident	81.5	Confident	13 Å²	13	57.8 Å²	57.8	13%	0.134	36%	0.361	C	S	.	.			trans	-73	171.7	168.7	0	0	0	0	0	113.3	S534 Y535	G433-S534 WeakPolarHBondContact CA-O 3.16Å; G433-Y535 VanDerWaalsContact CA-O 3.26Å; G433-Y535 WeakPolarHBondContact CA-O 3.39Å; G433-Y535 PolarHBondContact N-O 3.41Å
434	S	90.3	Very high	83.5	Confident	83 Å²	83	59 Å²	59	58%	0.58	37%	0.367	S	S	*	.			trans	-71.1	152.1	178.6	56	0	0	0	0	112.4	P436 S534	S434-P436 WeakPolarHBondContact O-CD 3.36Å; S434-S534 CarbonylContact O-C 3.42Å; S434-S534 VanDerWaalsContact O-CB 3.25Å; S434-S534 WeakPolarHBondContact O-CB 3.43Å; S434-S534 PolarHBondContact O-OG 2.88Å; S434-S534 PolarHBondContact OG-OG 3.04Å; S434-S534 VanDerWaalsContact OG-OG 3.12Å
435	V	91.1	Very high	85.5	Confident	34 Å²	34	57.8 Å²	57.8	21%	0.206	36%	0.357	C	S	.	.			trans	-107	99.5	170.2	-178.3	0	0	0	0	108.3	Q437 V440 I442 L457 L531 Y535	V435-Q437 PolarHBondContact O-N 2.9Å; V435-V440 HydrophobicContact CG1-CB 3.89Å; V435-V440 HydrophobicContact CG1-CG1 3.68Å; V435-I442 HydrophobicContact CG2-CD1 3.97Å; V435-I442 HydrophobicContact CG2-CG1 3.81Å; V435-L457 HydrophobicContact CG1-CD1 4.45Å; V435-L457 HydrophobicContact CG2-CD1 4.47Å; V435-L457 HydrophobicContact CG2-CD2 4.16Å; V435-L531 HydrophobicContact CG1-CD2 3.61Å; V435-Y535 HydrophobicContact CG2-CD2 4.22Å
436	P	82.9	Confident	86.8	Confident	83 Å²	83	58.7 Å²	58.7	54%	0.539	36%	0.362	S	S	.	.			trans	-81.2	19.2	-166	32.4	-36.7	0	0	0	114.7	S434	S434-P436 WeakPolarHBondContact O-CD 3.36Å
437	Q	88.4	Confident	88.3	Confident	60 Å²	60	59.6 Å²	59.6	28%	0.28	37%	0.367	S	S	.	.	S	Bend	trans	-119.2	124.7	-175.6	-171.5	169.4	-6.3	0	0	112	V435 G439 V440 R527 L531	V435-Q437 PolarHBondContact O-N 2.9Å; Q437-G439 PolarHBondContact O-N 3.21Å; Q437-V440 HydrophobicContact CB-CB 4.35Å; Q437-V440 HydrophobicContact CB-CG2 3.84Å; Q437-V440 HydrophobicContact CG-CG2 3.78Å; Q437-V440 PolarHBondContact O-N 3.4Å; Q437-R527 VanDerWaalsContact OE1-CG 3.23Å; Q437-L531 HydrophobicContact CB-CD2 3.77Å
438	V	87.4	Confident	89.5	Confident	151 Å²	151	62 Å²	62	92%	0.915	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	130	176.9	-178.5	0	0	0	0	109.8
439	G	89.4	Confident	90.6	Very high	60 Å²	60	61 Å²	61	62%	0.619	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-7.3	-179.5	0	0	0	0	0	114.7	Q437	Q437-G439 PolarHBondContact O-N 3.21Å
440	V	95.8	Very high	91.1	Very high	14 Å²	14	66.7 Å²	66.7	9%	0.085	41%	0.408	C	S	.	.			trans	-95.9	132.5	173.2	-175	0	0	0	0	109.9	V435 Q437 L457 D458 V460 L531	V435-V440 HydrophobicContact CG1-CB 3.89Å; V435-V440 HydrophobicContact CG1-CG1 3.68Å; Q437-V440 HydrophobicContact CB-CB 4.35Å; Q437-V440 HydrophobicContact CB-CG2 3.84Å; Q437-V440 HydrophobicContact CG-CG2 3.78Å; Q437-V440 PolarHBondContact O-N 3.4Å; V440-L457 HydrophobicContact CG1-CB 3.92Å; V440-L457 HydrophobicContact CG1-CD1 4.17Å; V440-D458 VanDerWaalsContact CA-O 3.28Å; V440-D458 WeakPolarHBondContact CA-O 3.3Å; V440-V460 HydrophobicContact CG1-CG2 3.92Å; V440-V460 HydrophobicContact CG2-CG2 4.39Å; V440-L531 HydrophobicContact CG1-CD1 4.49Å; V440-L531 HydrophobicContact CG1-CD2 4.29Å; V440-L531 HydrophobicContact CG2-CD2 4.42Å
441	T	95.6	Very high	91.2	Very high	84 Å²	84	61.5 Å²	61.5	52%	0.515	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145	179.9	55.5	0	0	0	0	111.9	T443 L457 D458	T441-T443 PolarHBondContact O-N 3.44Å; T441-L457 CarbonylContact O-C 3.5Å; T441-L457 VanDerWaalsContact O-CA 3.3Å; T441-L457 WeakPolarHBondContact O-CA 3.42Å; T441-D458 PolarHBondContact N-O 2.89Å; T441-D458 PolarHBondContact O-N 3.29Å
442	I	96.5	Very high	91.3	Very high	77 Å²	77	63.8 Å²	63.8	40%	0.395	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114	169.5	-57.8	159.3	0	0	0	107.9	V435 D445 V455 L457 Y535	V435-I442 HydrophobicContact CG2-CD1 3.97Å; V435-I442 HydrophobicContact CG2-CG1 3.81Å; I442-D445 HydrophobicContact CG2-CB 4.29Å; I442-V455 HydrophobicContact CG2-CG2 3.95Å; I442-L457 HydrophobicContact CB-CD2 4.08Å; I442-L457 HydrophobicContact CG1-CD2 3.51Å; I442-L457 HydrophobicContact CG2-CD2 4.47Å; I442-Y535 HydrophobicContact CD1-CD2 4.12Å; I442-Y535 HydrophobicContact CD1-CE2 3.72Å; I442-Y535 HydrophobicContact CG1-CD2 4.47Å; I442-Y535 HydrophobicContact CG1-CE2 4.16Å
443	T	95.9	Very high	91.5	Very high	61 Å²	61	61.8 Å²	61.8	37%	0.374	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-35.8	179.9	-54.4	0	0	0	0	111.4	T441 V456 D458	T441-T443 PolarHBondContact O-N 3.44Å; T443-V456 PolarHBondContact N-O 2.84Å; T443-D458 WeakPolarHBondContact CB-OD2 3.47Å; T443-D458 WeakPolarHBondContact CG2-OD2 3.41Å; T443-D458 WeakPolarHBondContact OG1-CB 3.37Å; T443-D458 PolarHBondContact OG1-OD2 3.33Å
444	M	96.2	Very high	91.7	Very high	60 Å²	60	61.3 Å²	61.3	30%	0.296	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	125.5	173	-54	174.7	-177.6	0	0	108.2	A448 L449 V455 V456	M444-A448 HydrophobicContact CB-CB 4.09Å; M444-L449 HydrophobicContact CB-CD1 4.28Å; M444-L449 HydrophobicContact CB-CD2 4.05Å; M444-L449 HydrophobicContact CB-CG 3.88Å; M444-L449 HydrophobicContact SD-CD2 3.82Å; M444-V455 WeakPolarHBondContact O-CA 3.49Å; M444-V456 HydrophobicContact CB-CB 3.97Å; M444-V456 HydrophobicContact CB-CG2 4.1Å; M444-V456 HydrophobicContact CG-CB 4.33Å; M444-V456 HydrophobicContact CG-CG2 4.46Å; M444-V456 PolarHBondContact N-O 3.48Å; M444-V456 PolarHBondContact O-N 2.72Å; M444-V456 HydrophobicContact SD-CG2 4.21Å
445	D	94.6	Very high	92	Very high	63 Å²	63	57.4 Å²	57.4	34%	0.337	35%	0.351	S	S	.	.			trans	-90.2	-174.7	169.9	52.5	18.7	0	0	0	110.6	I442 D447 A448 L449	I442-D445 HydrophobicContact CG2-CB 4.29Å; D445-D447 VanDerWaalsContact C-N 3.35Å; D445-A448 PolarHBondContact O-N 3.5Å; D445-A448 VanDerWaalsContact OD1-CB 3.24Å; D445-A448 WeakPolarHBondContact OD1-CB 3.4Å; D445-A448 PolarHBondContact OD1-N 2.76Å; D445-L449 WeakPolarHBondContact O-CB 3.27Å; D445-L449 WeakPolarHBondContact O-CD1 3.3Å; D445-L449 WeakPolarHBondContact O-CG 3.48Å; D445-L449 PolarHBondContact O-N 2.72Å
446	D	90.8	Very high	92.4	Very high	40 Å²	40	55.8 Å²	55.8	21%	0.214	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-39.1	-178.5	52.3	-23.8	0	0	0	112.1	L449 N450 G451 R454	D446-L449 CarbonylContact O-C 3.58Å; D446-L449 PolarHBondContact O-N 2.78Å; D446-N450 PolarHBondContact O-N 2.79Å; D446-N450 VanDerWaalsContact O-N 3.1Å; D446-G451 CarbonylContact C-O 3.57Å; D446-G451 WeakPolarHBondContact CB-O 3.31Å; D446-G451 PolarHBondContact O-N 3.03Å; D446-G451 VanDerWaalsContact O-N 3.14Å; D446-G451 VanDerWaalsContact O-O 3.08Å; D446-R454 WeakPolarHBondContact CA-O 3.34Å; D446-R454 PolarHBondContact N-O 3.44Å
447	D	90.9	Very high	93.1	Very high	131 Å²	131	51.8 Å²	51.8	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-52.1	171.6	-76.1	-23.3	0	0	0	111.6	D445 L449 N450	D445-D447 VanDerWaalsContact C-N 3.35Å; D447-L449 PolarHBondContact O-N 2.9Å; D447-N450 PolarHBondContact O-N 3.2Å
448	A	93.9	Very high	93.6	Very high	62 Å²	62	50.4 Å²	50.4	51%	0.512	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.5	178.7	0	0	0	0	0	113	M444 D445	M444-A448 HydrophobicContact CB-CB 4.09Å; D445-A448 PolarHBondContact O-N 3.5Å; D445-A448 VanDerWaalsContact OD1-CB 3.24Å; D445-A448 WeakPolarHBondContact OD1-CB 3.4Å; D445-A448 PolarHBondContact OD1-N 2.76Å
449	L	93.9	Very high	94	Very high	1 Å²	1	45 Å²	45	1%	0.005	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3	176.8	-65.8	166	0	0	0	112.8	M444 D445 D446 D447 G451 R454 V456 A622 V624	M444-L449 HydrophobicContact CB-CD1 4.28Å; M444-L449 HydrophobicContact CB-CD2 4.05Å; M444-L449 HydrophobicContact CB-CG 3.88Å; M444-L449 HydrophobicContact SD-CD2 3.82Å; D445-L449 WeakPolarHBondContact O-CB 3.27Å; D445-L449 WeakPolarHBondContact O-CD1 3.3Å; D445-L449 WeakPolarHBondContact O-CG 3.48Å; D445-L449 PolarHBondContact O-N 2.72Å; D446-L449 CarbonylContact O-C 3.58Å; D446-L449 PolarHBondContact O-N 2.78Å; D447-L449 PolarHBondContact O-N 2.9Å; L449-G451 PolarHBondContact O-N 2.97Å; L449-R454 HydrophobicContact CB-CG 3.91Å; L449-R454 VanDerWaalsContact CB-NE 3.3Å; L449-R454 HydrophobicContact CD1-CB 4.07Å; L449-R454 HydrophobicContact CD1-CG 3.75Å; L449-R454 HydrophobicContact CG-CG 4.5Å; L449-R454 PolarHBondContact O-NE 3.01Å; L449-R454 VanDerWaalsContact O-NE 3.1Å; L449-R454 PolarHBondContact O-NH2 2.94Å; L449-V456 HydrophobicContact CD1-CG2 4.15Å; L449-V456 HydrophobicContact CD2-CG2 4.24Å; L449-A622 HydrophobicContact CB-CB 4.28Å; L449-A622 HydrophobicContact CD2-CB 4.11Å; L449-A622 WeakPolarHBondContact O-CB 3.42Å; L449-V624 HydrophobicContact CD2-CG2 3.96Å
450	N	91.9	Very high	94.3	Very high	120 Å²	120	42.2 Å²	42.2	64%	0.642	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	44	-177.7	-65.7	-30.8	0	0	0	114.2	D446 D447 R454 T621	D446-N450 PolarHBondContact O-N 2.79Å; D446-N450 VanDerWaalsContact O-N 3.1Å; D447-N450 PolarHBondContact O-N 3.2Å; N450-R454 PolarHBondContact O-NH2 3.09Å; N450-T621 PolarHBondContact ND2-O 3.26Å
451	G	87.9	Confident	94.4	Very high	27 Å²	27	42 Å²	42	28%	0.278	25%	0.253	S	S	.	.	S	Bend	trans	-163	-167.8	175.2	0	0	0	0	0	112.3	D446 L449 R454	D446-G451 CarbonylContact C-O 3.57Å; D446-G451 WeakPolarHBondContact CB-O 3.31Å; D446-G451 PolarHBondContact O-N 3.03Å; D446-G451 VanDerWaalsContact O-N 3.14Å; D446-G451 VanDerWaalsContact O-O 3.08Å; L449-G451 PolarHBondContact O-N 2.97Å; G451-R454 VanDerWaalsContact CA-CZ 3.49Å
452	T	87.4	Confident	94.4	Very high	58 Å²	58	41.7 Å²	41.7	36%	0.356	25%	0.251	S	S	.	.	S	Bend	trans	-111.9	142.2	-176.6	48.2	0	0	0	0	111.4	R454 V639 N640	T452-R454 VanDerWaalsContact C-N 3.31Å; T452-R454 PolarHBondContact O-N 2.99Å; T452-V639 WeakPolarHBondContact OG1-CB 3.49Å; T452-V639 WeakPolarHBondContact OG1-CG1 3.22Å; T452-N640 PolarHBondContact O-ND2 3.13Å
453	N	90.8	Very high	94.4	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.08	26%	0.261	C	S	.	.	S	Bend	trans	49.3	50.2	172.5	-74.5	-31.9	0	0	0	113.9	D425 F429 Y430 A431 F536 F634 S635	D425-N453 HydrophobicContact CB-CB 4.49Å; D425-N453 WeakPolarHBondContact CB-ND2 3.43Å; D425-N453 VanDerWaalsContact CG-ND2 3.29Å; D425-N453 WeakPolarHBondContact OD2-CB 3.37Å; D425-N453 VanDerWaalsContact OD2-CG 3.24Å; D425-N453 PolarHBondContact OD2-ND2 2.94Å; F429-N453 PolarHBondContact O-ND2 3.45Å; Y430-N453 WeakPolarHBondContact CA-OD1 3.5Å; A431-N453 WeakPolarHBondContact CB-OD1 3.42Å; A431-N453 PolarHBondContact N-OD1 3.45Å; N453-F536 VanDerWaalsContact C-CE1 3.42Å; N453-F536 HydrophobicContact CB-CD1 4.39Å; N453-F536 HydrophobicContact CB-CE1 4.03Å; N453-F536 VanDerWaalsContact O-CE1 3.29Å; N453-F536 WeakPolarHBondContact O-CE1 3.32Å; N453-F536 WeakPolarHBondContact O-CZ 3.41Å; N453-F634 VanDerWaalsContact O-CA 3.28Å; N453-F634 WeakPolarHBondContact O-CA 3.07Å; N453-S635 PolarHBondContact O-N 3.06Å
454	R	94.3	Very high	94.5	Very high	4 Å²	4	49 Å²	49	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.7	170.5	53.6	173.6	172.2	-137.9	19.9	111	D446 L449 N450 G451 T452 F612 T621 G633 F634 N640	D446-R454 WeakPolarHBondContact CA-O 3.34Å; D446-R454 PolarHBondContact N-O 3.44Å; L449-R454 HydrophobicContact CB-CG 3.91Å; L449-R454 VanDerWaalsContact CB-NE 3.3Å; L449-R454 HydrophobicContact CD1-CB 4.07Å; L449-R454 HydrophobicContact CD1-CG 3.75Å; L449-R454 HydrophobicContact CG-CG 4.5Å; L449-R454 PolarHBondContact O-NE 3.01Å; L449-R454 VanDerWaalsContact O-NE 3.1Å; L449-R454 PolarHBondContact O-NH2 2.94Å; N450-R454 PolarHBondContact O-NH2 3.09Å; G451-R454 VanDerWaalsContact CA-CZ 3.49Å; T452-R454 VanDerWaalsContact C-N 3.31Å; T452-R454 PolarHBondContact O-N 2.99Å; R454-F612 HydrophobicContact CB-CZ 4.39Å; R454-F612 VanDerWaalsContact NH1-CB 3.31Å; R454-F612 VanDerWaalsContact NH1-CG 3.27Å; R454-T621 PolarHBondContact NH2-OG1 3.44Å; R454-G633 CarbonylContact C-O 3.49Å; R454-G633 VanDerWaalsContact CA-O 3.29Å; R454-G633 WeakPolarHBondContact CA-O 3.46Å; R454-F634 HydrophobicContact CB-CB 3.77Å; R454-N640 PolarHBondContact NH1-OD1 2.89Å
455	V	97.3	Very high	94.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	148.6	-176.7	67.8	0	0	0	0	111.5	I442 M444 L457 L532 Y535 F536 V632 G633	I442-V455 HydrophobicContact CG2-CG2 3.95Å; M444-V455 WeakPolarHBondContact O-CA 3.49Å; V455-L457 HydrophobicContact CG1-CG 4.47Å; V455-L457 HydrophobicContact CG2-CD2 3.62Å; V455-L457 HydrophobicContact CG2-CG 4.2Å; V455-L532 HydrophobicContact CG1-CD2 4.26Å; V455-Y535 HydrophobicContact CB-CD1 3.97Å; V455-Y535 HydrophobicContact CB-CE1 3.38Å; V455-Y535 HydrophobicContact CB-CE2 4.45Å; V455-Y535 HydrophobicContact CG1-CD1 3.71Å; V455-Y535 HydrophobicContact CG1-CE1 3.67Å; V455-Y535 HydrophobicContact CG1-CG 4.4Å; V455-Y535 HydrophobicContact CG2-CD1 4.24Å; V455-Y535 HydrophobicContact CG2-CD2 4.38Å; V455-Y535 HydrophobicContact CG2-CE1 3.7Å; V455-Y535 HydrophobicContact CG2-CE2 3.82Å; V455-Y535 VanDerWaalsContact CG2-CZ 3.42Å; V455-F536 HydrophobicContact CG1-CE2 4.2Å; V455-F536 HydrophobicContact CG1-CZ 3.95Å; V455-V632 WeakPolarHBondContact O-CA 3.32Å; V455-G633 PolarHBondContact N-O 3.25Å; V455-G633 PolarHBondContact O-N 2.04Å
456	V	98.3	Very high	94.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121	165.1	-178.6	0	0	0	0	109.3	T443 M444 L449 V624 R630 L631 V632	T443-V456 PolarHBondContact N-O 2.84Å; M444-V456 HydrophobicContact CB-CB 3.97Å; M444-V456 HydrophobicContact CB-CG2 4.1Å; M444-V456 HydrophobicContact CG-CB 4.33Å; M444-V456 HydrophobicContact CG-CG2 4.46Å; M444-V456 PolarHBondContact N-O 3.48Å; M444-V456 PolarHBondContact O-N 2.72Å; M444-V456 HydrophobicContact SD-CG2 4.21Å; L449-V456 HydrophobicContact CD1-CG2 4.15Å; L449-V456 HydrophobicContact CD2-CG2 4.24Å; V456-V624 HydrophobicContact CG1-CG1 4.35Å; V456-V624 HydrophobicContact CG2-CB 4.49Å; V456-V624 HydrophobicContact CG2-CG1 3.84Å; V456-V624 HydrophobicContact CG2-CG2 3.76Å; V456-R630 HydrophobicContact CG1-CG 3.67Å; V456-L631 CarbonylContact C-O 3.6Å; V456-L631 VanDerWaalsContact CA-O 3.29Å; V456-L631 WeakPolarHBondContact CA-O 3.3Å; V456-V632 HydrophobicContact CG2-CG1 4.48Å; V456-V632 HydrophobicContact CG2-CG2 4.39Å
457	L	98.2	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.1	173.7	-53.2	-176.5	0	0	0	110.1	V435 V440 T441 I442 V455 V460 L531 R630 L631	V435-L457 HydrophobicContact CG1-CD1 4.45Å; V435-L457 HydrophobicContact CG2-CD1 4.47Å; V435-L457 HydrophobicContact CG2-CD2 4.16Å; V440-L457 HydrophobicContact CG1-CB 3.92Å; V440-L457 HydrophobicContact CG1-CD1 4.17Å; T441-L457 CarbonylContact O-C 3.5Å; T441-L457 VanDerWaalsContact O-CA 3.3Å; T441-L457 WeakPolarHBondContact O-CA 3.42Å; I442-L457 HydrophobicContact CB-CD2 4.08Å; I442-L457 HydrophobicContact CG1-CD2 3.51Å; I442-L457 HydrophobicContact CG2-CD2 4.47Å; V455-L457 HydrophobicContact CG1-CG 4.47Å; V455-L457 HydrophobicContact CG2-CD2 3.62Å; V455-L457 HydrophobicContact CG2-CG 4.2Å; L457-V460 HydrophobicContact CB-CG2 4.1Å; L457-L531 HydrophobicContact CD1-CB 4.21Å; L457-R630 CarbonylContact O-C 3.09Å; L457-R630 WeakPolarHBondContact O-CA 3.48Å; L457-L631 HydrophobicContact CB-CB 4.31Å; L457-L631 HydrophobicContact CD1-CD2 4.2Å; L457-L631 PolarHBondContact N-O 3.3Å; L457-L631 PolarHBondContact O-N 3.3Å
458	D	97.8	Very high	95.2	Very high	31 Å²	31	44.9 Å²	44.9	17%	0.166	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	155.4	171.4	-73.2	-27.9	0	0	0	111.1	V440 T441 T443 R630	V440-D458 VanDerWaalsContact CA-O 3.28Å; V440-D458 WeakPolarHBondContact CA-O 3.3Å; T441-D458 PolarHBondContact N-O 2.89Å; T441-D458 PolarHBondContact O-N 3.29Å; T443-D458 WeakPolarHBondContact CB-OD2 3.47Å; T443-D458 WeakPolarHBondContact CG2-OD2 3.41Å; T443-D458 WeakPolarHBondContact OG1-CB 3.37Å; T443-D458 PolarHBondContact OG1-OD2 3.33Å; D458-R630 VanDerWaalsContact OD1-CB 3.25Å; D458-R630 WeakPolarHBondContact OD1-CB 3.44Å; D458-R630 VanDerWaalsContact OD1-CG 3.29Å; D458-R630 WeakPolarHBondContact OD1-CG 3.48Å; D458-R630 IonicContact OD1-CZ 3.31Å; D458-R630 IonicContact OD1-NE 2.72Å; D458-R630 PolarHBondContact OD1-NE 2.86Å; D458-R630 IonicContact OD1-NH2 3.95Å; D458-R630 PolarHBondContact OD1-NH2 2.83Å; D458-R630 IonicContact OD2-CZ 2.74Å; D458-R630 IonicContact OD2-NE 3.66Å; D458-R630 IonicContact OD2-NH2 3Å; D458-R630 PolarHBondContact OD2-NH2 2.81Å
459	G	96.1	Very high	95.4	Very high	37 Å²	37	42 Å²	42	38%	0.381	23%	0.227	S	C	.	.			trans	84.3	13	177.8	0	0	0	0	0	114.9	M461 G629	G459-M461 PolarHBondContact O-N 3.31Å; G459-G629 PolarHBondContact N-O 2.58Å
460	V	97.4	Very high	95.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.234	C	C	.	.	S	Bend	trans	-66.7	-27.8	177.4	-179.4	0	0	0	0	111.7	V440 L457 R527 V528 L531 L599 G629 L631	V440-V460 HydrophobicContact CG1-CG2 3.92Å; V440-V460 HydrophobicContact CG2-CG2 4.39Å; L457-V460 HydrophobicContact CB-CG2 4.1Å; V460-R527 HydrophobicContact CG1-CG 4.41Å; V460-R527 VanDerWaalsContact O-CD 3.24Å; V460-R527 WeakPolarHBondContact O-CD 3.4Å; V460-R527 PolarHBondContact O-NH1 3.39Å; V460-V528 HydrophobicContact CG1-CG2 4.33Å; V460-L531 HydrophobicContact CB-CD1 4.37Å; V460-L531 HydrophobicContact CG1-CD1 3.78Å; V460-L531 HydrophobicContact CG2-CD1 3.79Å; V460-L599 HydrophobicContact CB-CD1 3.87Å; V460-L599 HydrophobicContact CG1-CD1 3.85Å; V460-L599 HydrophobicContact CG1-CD2 4.28Å; V460-G629 WeakPolarHBondContact CB-O 3.19Å; V460-G629 PolarHBondContact N-O 3.37Å; V460-L631 HydrophobicContact CB-CB 4.48Å; V460-L631 HydrophobicContact CG2-CB 3.78Å; V460-L631 HydrophobicContact CG2-CD2 4.2Å
461	M	97	Very high	95.7	Very high	9 Å²	9	43.4 Å²	43.4	4%	0.044	23%	0.231	C	C	.	.	S	Bend	trans	-128.1	149.4	173.3	-59.3	-179.1	64.2	0	0	110.7	G459 E465 I469 L524 L599 L601	G459-M461 PolarHBondContact O-N 3.31Å; M461-E465 HydrophobicContact CB-CB 4.39Å; M461-E465 HydrophobicContact CE-CB 3.81Å; M461-I469 HydrophobicContact CE-CB 4.5Å; M461-I469 HydrophobicContact CE-CG1 4.12Å; M461-L524 HydrophobicContact CE-CD1 3.44Å; M461-L524 VanDerWaalsContact CE-CD1 3.44Å; M461-L524 HydrophobicContact CE-CD2 3.97Å; M461-L524 HydrophobicContact CE-CG 4.36Å; M461-L524 HydrophobicContact CG-CD2 3.61Å; M461-L524 HydrophobicContact SD-CD1 3.91Å; M461-L524 HydrophobicContact SD-CD2 3.9Å; M461-L599 HydrophobicContact CG-CD1 4.21Å; M461-L599 HydrophobicContact CG-CD2 3.93Å; M461-L599 HydrophobicContact CG-CG 4.36Å; M461-L599 HydrophobicContact SD-CD1 4.21Å; M461-L599 HydrophobicContact SD-CD2 3.51Å; M461-L599 VanDerWaalsContact SD-CD2 3.51Å; M461-L599 HydrophobicContact SD-CG 3.79Å; M461-L601 HydrophobicContact CE-CD2 3.83Å; M461-L601 HydrophobicContact SD-CD2 3.66Å
462	T	96.3	Very high	96.1	Very high	78 Å²	78	42.3 Å²	42.3	48%	0.479	22%	0.219	S	C	.	.			trans	-83.2	156.2	165.5	64.3	0	0	0	0	110.9	K464 E465 C466	T462-K464 PolarHBondContact O-N 2.89Å; T462-K464 VanDerWaalsContact O-N 3.16Å; T462-E465 PolarHBondContact N-OE2 2.93Å; T462-E465 WeakPolarHBondContact O-CB 3.36Å; T462-E465 PolarHBondContact O-N 3.48Å; T462-E465 WeakPolarHBondContact OG1-CG 3.15Å; T462-E465 PolarHBondContact OG1-N 3.3Å; T462-E465 PolarHBondContact OG1-OE2 3.48Å; T462-E465 VanDerWaalsContact OG1-OE2 3.1Å; T462-C466 PolarHBondContact O-N 3.38Å
463	E	96.3	Very high	96.4	Very high	128 Å²	128	39.6 Å²	39.6	60%	0.598	20%	0.202	S	C	*	.	H	α-helix	trans	-50.9	-40.3	174.3	-68.9	-66.4	168.2	0	0	112.5	E465 C466 D467	E463-E465 PolarHBondContact O-N 3.35Å; E463-C466 WeakPolarHBondContact O-CB 3.26Å; E463-C466 PolarHBondContact O-N 2.87Å; E463-D467 PolarHBondContact O-N 3.08Å
464	K	96.9	Very high	96.5	Very high	164 Å²	164	42.9 Å²	42.9	71%	0.713	22%	0.222	S	C	*	.	H	α-helix	trans	-65	-36.7	177.6	-67	-177.3	-179.8	179	0	113.1	T462 K468	T462-K464 PolarHBondContact O-N 2.89Å; T462-K464 VanDerWaalsContact O-N 3.16Å; K464-K468 WeakPolarHBondContact O-CG 3.25Å; K464-K468 PolarHBondContact O-N 3.1Å
465	E	97.3	Very high	96.4	Very high	33 Å²	33	47.5 Å²	47.5	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-40.4	175.7	-71.1	169.1	131.7	0	0	110.5	M461 T462 E463 K468 I469 L520 R527	M461-E465 HydrophobicContact CB-CB 4.39Å; M461-E465 HydrophobicContact CE-CB 3.81Å; T462-E465 PolarHBondContact N-OE2 2.93Å; T462-E465 WeakPolarHBondContact O-CB 3.36Å; T462-E465 PolarHBondContact O-N 3.48Å; T462-E465 WeakPolarHBondContact OG1-CG 3.15Å; T462-E465 PolarHBondContact OG1-N 3.3Å; T462-E465 PolarHBondContact OG1-OE2 3.48Å; T462-E465 VanDerWaalsContact OG1-OE2 3.1Å; E463-E465 PolarHBondContact O-N 3.35Å; E465-K468 PolarHBondContact O-N 3.32Å; E465-I469 WeakPolarHBondContact O-CG1 3.47Å; E465-I469 PolarHBondContact O-N 3.42Å; E465-L520 HydrophobicContact CB-CD2 4.11Å; E465-L520 HydrophobicContact CG-CD1 4.11Å; E465-L520 HydrophobicContact CG-CD2 4.08Å; E465-R527 IonicContact OE1-CZ 3.44Å; E465-R527 IonicContact OE1-NH1 3.5Å; E465-R527 PolarHBondContact OE1-NH1 2.93Å; E465-R527 IonicContact OE1-NH2 2.76Å; E465-R527 PolarHBondContact OE1-NH2 2.81Å; E465-R527 IonicContact OE2-NH1 3.55Å; E465-R527 PolarHBondContact OE2-NH1 2.9Å; E465-R527 VanDerWaalsContact OE2-NH1 3.16Å
466	C	97.7	Very high	96.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-50.2	173.6	-72.6	0	0	0	0	111.1	T462 E463 K468 I469 L470 L601 C628	T462-C466 PolarHBondContact O-N 3.38Å; E463-C466 WeakPolarHBondContact O-CB 3.26Å; E463-C466 PolarHBondContact O-N 2.87Å; C466-K468 VanDerWaalsContact C-N 3.34Å; C466-K468 PolarHBondContact O-N 3.47Å; C466-I469 PolarHBondContact O-N 2.9Å; C466-L470 WeakPolarHBondContact O-CB 3.45Å; C466-L470 VanDerWaalsContact O-CG 3.26Å; C466-L470 WeakPolarHBondContact O-CG 3.09Å; C466-L470 PolarHBondContact O-N 3.39Å; C466-L601 WeakPolarHBondContact CB-O 3.18Å; C466-C628 HydrophobicContact CB-CB 3.98Å; C466-C628 WeakPolarHBondContact CB-SG 3.29Å; C466-C628 WeakPolarHBondContact SG-CB 3.23Å; C466-C628 CovalentContact SG-SG 2.04Å; C466-C628 PolarHBondContact SG-SG 3.09Å
467	D	96.8	Very high	95.9	Very high	86 Å²	86	48.5 Å²	48.5	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-57.4	-45.2	178.4	-77	-25.3	0	0	0	112.3	E463 L470 Q471	E463-D467 PolarHBondContact O-N 3.08Å; D467-L470 PolarHBondContact O-N 2.84Å; D467-Q471 WeakPolarHBondContact O-CB 3.46Å; D467-Q471 VanDerWaalsContact O-CG 3.28Å; D467-Q471 WeakPolarHBondContact O-CG 3.3Å; D467-Q471 PolarHBondContact O-N 3.28Å
468	K	96.6	Very high	95.5	Very high	87 Å²	87	50 Å²	50	38%	0.378	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-47.7	177.2	-79.4	-179.3	166.3	-137.3	0	112.3	K464 E465 C466 L470 Q471 L472 D517 L520	K464-K468 WeakPolarHBondContact O-CG 3.25Å; K464-K468 PolarHBondContact O-N 3.1Å; E465-K468 PolarHBondContact O-N 3.32Å; C466-K468 VanDerWaalsContact C-N 3.34Å; C466-K468 PolarHBondContact O-N 3.47Å; K468-L470 VanDerWaalsContact C-N 3.35Å; K468-Q471 WeakPolarHBondContact O-CB 3.19Å; K468-Q471 PolarHBondContact O-N 2.91Å; K468-L472 PolarHBondContact O-N 2.97Å; K468-D517 IonicContact NZ-OD1 3.33Å; K468-L520 HydrophobicContact CB-CD2 4.19Å; K468-L520 HydrophobicContact CD-CD2 4.17Å
469	I	97.6	Very high	95.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-70.7	-32.7	-178.7	-63.3	-58.8	0	0	0	111.5	M461 E465 C466 L472 A473 L520 L521 L524 L549 L601	M461-I469 HydrophobicContact CE-CB 4.5Å; M461-I469 HydrophobicContact CE-CG1 4.12Å; E465-I469 WeakPolarHBondContact O-CG1 3.47Å; E465-I469 PolarHBondContact O-N 3.42Å; C466-I469 PolarHBondContact O-N 2.9Å; I469-L472 HydrophobicContact CD1-CD2 4.23Å; I469-L472 PolarHBondContact O-N 3.16Å; I469-A473 WeakPolarHBondContact O-CB 3.35Å; I469-A473 PolarHBondContact O-N 3.43Å; I469-L520 HydrophobicContact CD1-CB 4.19Å; I469-L520 HydrophobicContact CD1-CD2 3.9Å; I469-L520 HydrophobicContact CD1-CG 3.9Å; I469-L520 HydrophobicContact CG1-CD2 3.96Å; I469-L520 HydrophobicContact CG1-CG 4.24Å; I469-L521 HydrophobicContact CD1-CB 4.06Å; I469-L521 HydrophobicContact CG2-CD1 4.45Å; I469-L524 HydrophobicContact CD1-CD1 4.18Å; I469-L524 HydrophobicContact CG1-CD1 3.76Å; I469-L549 HydrophobicContact CG2-CD1 3.31Å; I469-L601 HydrophobicContact CB-CD2 4.32Å; I469-L601 HydrophobicContact CG2-CD1 3.67Å; I469-L601 HydrophobicContact CG2-CD2 3.93Å; I469-L601 HydrophobicContact CG2-CG 4.46Å
470	L	96.4	Very high	94.3	Very high	27 Å²	27	50.2 Å²	50.2	14%	0.141	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-38.4	170.7	-73.8	167.9	0	0	0	112.4	C466 D467 K468 A473 T474 L601 N602 C653	C466-L470 WeakPolarHBondContact O-CB 3.45Å; C466-L470 VanDerWaalsContact O-CG 3.26Å; C466-L470 WeakPolarHBondContact O-CG 3.09Å; C466-L470 PolarHBondContact O-N 3.39Å; D467-L470 PolarHBondContact O-N 2.84Å; K468-L470 VanDerWaalsContact C-N 3.35Å; L470-A473 PolarHBondContact O-N 2.91Å; L470-T474 PolarHBondContact O-N 3.29Å; L470-T474 PolarHBondContact O-OG1 3.16Å; L470-L601 HydrophobicContact CD2-CB 3.91Å; L470-L601 HydrophobicContact CG-CB 4.11Å; L470-N602 HydrophobicContact CD1-CB 3.99Å; L470-N602 HydrophobicContact CD2-CB 4.32Å; L470-C653 HydrophobicContact CD2-CB 3.65Å
471	Q	95.4	Very high	93.8	Very high	125 Å²	125	51.4 Å²	51.4	58%	0.584	27%	0.268	S	S	*	.	H	α-helix	trans	-65.3	-47	173.6	-74.6	174.8	11.6	0	0	110.8	D467 K468 A473 T474 V475	D467-Q471 WeakPolarHBondContact O-CB 3.46Å; D467-Q471 VanDerWaalsContact O-CG 3.28Å; D467-Q471 WeakPolarHBondContact O-CG 3.3Å; D467-Q471 PolarHBondContact O-N 3.28Å; K468-Q471 WeakPolarHBondContact O-CB 3.19Å; K468-Q471 PolarHBondContact O-N 2.91Å; Q471-A473 VanDerWaalsContact C-N 3.31Å; Q471-A473 PolarHBondContact O-N 2.81Å; Q471-T474 WeakPolarHBondContact O-CB 3.32Å; Q471-T474 PolarHBondContact O-N 3.35Å; Q471-V475 PolarHBondContact O-N 3.27Å; Q471-V475 VanDerWaalsContact O-N 3.14Å
472	L	95.6	Very high	92.7	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-54.4	-47.9	173.6	178.7	63.5	0	0	0	111.2	K468 I469 T474 V475 A476 L499 V513 D517 T518 L521	K468-L472 PolarHBondContact O-N 2.97Å; I469-L472 HydrophobicContact CD1-CD2 4.23Å; I469-L472 PolarHBondContact O-N 3.16Å; L472-T474 VanDerWaalsContact C-N 3.28Å; L472-T474 PolarHBondContact O-N 3.1Å; L472-V475 PolarHBondContact O-N 2.99Å; L472-A476 HydrophobicContact CD1-CB 4.2Å; L472-A476 WeakPolarHBondContact O-CB 3.32Å; L472-A476 PolarHBondContact O-N 2.95Å; L472-L499 HydrophobicContact CD2-CD2 4.33Å; L472-L499 HydrophobicContact CG-CD2 4.02Å; L472-V513 HydrophobicContact CD1-CB 3.81Å; L472-V513 HydrophobicContact CD1-CG1 3.81Å; L472-V513 HydrophobicContact CD1-CG2 4.05Å; L472-D517 HydrophobicContact CD2-CB 4.39Å; L472-T518 HydrophobicContact CD1-CG2 4.35Å; L472-L521 HydrophobicContact CD2-CB 4.16Å; L472-L521 HydrophobicContact CD2-CD2 4.08Å
473	A	94.4	Very high	91.5	Very high	1 Å²	1	53 Å²	53	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-40.2	176.2	0	0	0	0	0	112.3	I469 L470 Q471 V475 A477 L549	I469-A473 WeakPolarHBondContact O-CB 3.35Å; I469-A473 PolarHBondContact O-N 3.43Å; L470-A473 PolarHBondContact O-N 2.91Å; Q471-A473 VanDerWaalsContact C-N 3.31Å; Q471-A473 PolarHBondContact O-N 2.81Å; A473-V475 VanDerWaalsContact C-N 3.28Å; A473-V475 PolarHBondContact O-N 2.84Å; A473-A477 WeakPolarHBondContact O-CB 3.25Å; A473-A477 PolarHBondContact O-N 3.44Å; A473-L549 HydrophobicContact CB-CD1 4.27Å; A473-L549 HydrophobicContact CB-CD2 3.43Å; A473-L549 VanDerWaalsContact CB-CD2 3.43Å; A473-L549 HydrophobicContact CB-CG 4.48Å
474	T	93.3	Very high	90.5	Very high	83 Å²	83	56.7 Å²	56.7	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-31.7	-179.4	-54.7	0	0	0	0	112.7	L470 Q471 L472 R651	L470-T474 PolarHBondContact O-N 3.29Å; L470-T474 PolarHBondContact O-OG1 3.16Å; Q471-T474 WeakPolarHBondContact O-CB 3.32Å; Q471-T474 PolarHBondContact O-N 3.35Å; L472-T474 VanDerWaalsContact C-N 3.28Å; L472-T474 PolarHBondContact O-N 3.1Å; T474-R651 PolarHBondContact OG1-NH1 3.32Å; T474-R651 PolarHBondContact OG1-NH2 2.91Å
475	V	92	Very high	89.5	Confident	102 Å²	102	51.2 Å²	51.2	62%	0.618	29%	0.285	S	S	*	.	H	α-helix	trans	-90.9	-41.3	-178	179.4	0	0	0	0	111.9	Q471 L472 A473 V513	Q471-V475 PolarHBondContact O-N 3.27Å; Q471-V475 VanDerWaalsContact O-N 3.14Å; L472-V475 PolarHBondContact O-N 2.99Å; A473-V475 VanDerWaalsContact C-N 3.28Å; A473-V475 PolarHBondContact O-N 2.84Å; V475-V513 HydrophobicContact CB-CG1 4.29Å; V475-V513 HydrophobicContact CG1-CG1 3.83Å
476	A	92.7	Very high	88.2	Confident	5 Å²	5	53.3 Å²	53.3	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-107	-21.2	-166.9	0	0	0	0	0	114.8	L472 L499 L507 V513	L472-A476 HydrophobicContact CD1-CB 4.2Å; L472-A476 WeakPolarHBondContact O-CB 3.32Å; L472-A476 PolarHBondContact O-N 2.95Å; A476-L499 HydrophobicContact CB-CD1 3.95Å; A476-L499 HydrophobicContact CB-CD2 3.75Å; A476-L499 HydrophobicContact CB-CG 4.5Å; A476-L507 HydrophobicContact CB-CD1 3.53Å; A476-V513 HydrophobicContact CB-CG1 4.08Å
477	A	91.6	Very high	87.6	Confident	16 Å²	16	61 Å²	61	13%	0.132	32%	0.32	C	S	.	.			trans	-67.9	145.5	-179.4	0	0	0	0	0	111.1	A473 E497 G498 L499	A473-A477 WeakPolarHBondContact O-CB 3.25Å; A473-A477 PolarHBondContact O-N 3.44Å; A477-E497 HydrophobicContact CB-CB 4.02Å; A477-G498 CarbonylContact C-O 3.43Å; A477-G498 WeakPolarHBondContact CA-O 3.46Å; A477-L499 HydrophobicContact CB-CB 4.27Å
478	S	91.4	Very high	86.8	Confident	31 Å²	31	58.1 Å²	58.1	22%	0.217	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.8	-178.7	-76.8	0	0	0	0	112.7	G480 D481 E497 G498 R503	S478-G480 PolarHBondContact O-N 2.79Å; S478-D481 WeakPolarHBondContact O-CB 3.27Å; S478-D481 PolarHBondContact O-N 3.04Å; S478-E497 CarbonylContact O-C 3.57Å; S478-E497 VanDerWaalsContact O-CA 3.3Å; S478-E497 WeakPolarHBondContact O-CA 3.47Å; S478-G498 PolarHBondContact N-O 3.06Å; S478-G498 PolarHBondContact O-N 3.29Å; S478-R503 PolarHBondContact OG-NH1 3.11Å; S478-R503 PolarHBondContact OG-NH2 2.86Å
479	L	88.8	Confident	85.7	Confident	70 Å²	70	54 Å²	54	37%	0.366	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	123	177.1	-72.3	165.5	0	0	0	110.6	D481 R487 F496 E497	L479-D481 VanDerWaalsContact C-N 3.28Å; L479-D481 PolarHBondContact O-N 3.4Å; L479-R487 HydrophobicContact CB-CG 4.12Å; L479-F496 WeakPolarHBondContact CA-O 3.4Å; L479-E497 HydrophobicContact CD2-CG 3.58Å; L479-E497 HydrophobicContact CG-CG 4.16Å
480	G	79.5	Confident	84.7	Confident	2 Å²	2	54.9 Å²	54.9	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	24.4	179.2	0	0	0	0	0	115.4	S478 G482 Y483 G485 R486 F496	S478-G480 PolarHBondContact O-N 2.79Å; G480-G482 PolarHBondContact O-N 2.87Å; G480-Y483 CarbonylContact O-C 3.52Å; G480-Y483 WeakPolarHBondContact O-CA 3.24Å; G480-Y483 PolarHBondContact O-N 3.47Å; G480-G485 WeakPolarHBondContact O-CA 3.26Å; G480-G485 PolarHBondContact O-N 2.94Å; G480-G485 VanDerWaalsContact O-N 3.09Å; G480-R486 WeakPolarHBondContact CA-O 3.45Å; G480-F496 PolarHBondContact N-O 3.36Å
481	D	85.4	Confident	83.9	Confident	26 Å²	26	53.9 Å²	53.9	14%	0.139	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	132.4	170.3	-165.1	87	0	0	0	110.4	S478 L479 Y483 F496 G498 R503 H548	S478-D481 WeakPolarHBondContact O-CB 3.27Å; S478-D481 PolarHBondContact O-N 3.04Å; L479-D481 VanDerWaalsContact C-N 3.28Å; L479-D481 PolarHBondContact O-N 3.4Å; D481-Y483 WeakPolarHBondContact O-CD2 3.47Å; D481-Y483 PolarHBondContact O-N 3.42Å; D481-F496 WeakPolarHBondContact O-CE1 3.35Å; D481-G498 WeakPolarHBondContact CB-O 3.07Å; D481-R503 IonicContact OD1-CZ 2.82Å; D481-R503 IonicContact OD1-NH1 2.94Å; D481-R503 PolarHBondContact OD1-NH1 3.26Å; D481-H548 IonicContact OD2-NE2 3.48Å
482	G	74.2	Confident	83.1	Confident	66 Å²	66	50.3 Å²	50.3	68%	0.68	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-1.7	-169.9	0	0	0	0	0	115.8	G480	G480-G482 PolarHBondContact O-N 2.87Å
483	Y	71.1	Confident	82.6	Confident	56 Å²	56	51.2 Å²	51.2	22%	0.22	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	36.5	-177.3	-67.9	-85	0	0	0	113.1	L172 G480 D481 G485 R486 P489 H490 F496	L172-Y483 HydrophobicContact CD1-CD1 3.72Å; L172-Y483 HydrophobicContact CD1-CE1 3.69Å; G480-Y483 CarbonylContact O-C 3.52Å; G480-Y483 WeakPolarHBondContact O-CA 3.24Å; G480-Y483 PolarHBondContact O-N 3.47Å; D481-Y483 WeakPolarHBondContact O-CD2 3.47Å; D481-Y483 PolarHBondContact O-N 3.42Å; Y483-G485 PolarHBondContact O-N 3.35Å; Y483-G485 VanDerWaalsContact O-N 3.09Å; Y483-R486 WeakPolarHBondContact O-CB 3.41Å; Y483-R486 PolarHBondContact O-N 3.07Å; Y483-P489 HydrophobicContact CD1-CB 3.46Å; Y483-P489 VanDerWaalsContact CD1-CB 3.46Å; Y483-P489 HydrophobicContact CD1-CG 4.08Å; Y483-P489 HydrophobicContact CD2-CB 4.26Å; Y483-P489 HydrophobicContact CD2-CG 3.97Å; Y483-P489 HydrophobicContact CE1-CB 3.88Å; Y483-P489 HydrophobicContact CE1-CG 4.35Å; Y483-P489 HydrophobicContact CE2-CG 4.27Å; Y483-P489 HydrophobicContact CG-CB 3.68Å; Y483-P489 HydrophobicContact CG-CG 3.88Å; Y483-H490 AromaticContact CZ-CE1 3.88Å; Y483-H490 PolarHBondContact OH-CE1 3.46Å; Y483-H490 VanDerWaalsContact OH-CE1 3.3Å; Y483-F496 HydrophobicContact CD2-CD1 4.36Å; Y483-F496 AromaticContact CD2-CD2 3.92Å; Y483-F496 HydrophobicContact CD2-CD2 3.92Å; Y483-F496 HydrophobicContact CD2-CE1 4.11Å; Y483-F496 AromaticContact CD2-CE2 3.67Å; Y483-F496 HydrophobicContact CD2-CE2 3.67Å; Y483-F496 HydrophobicContact CD2-CG 4.38Å; Y483-F496 AromaticContact CD2-CZ 3.84Å; Y483-F496 HydrophobicContact CD2-CZ 3.84Å; Y483-F496 AromaticContact CE2-CD2 3.78Å; Y483-F496 HydrophobicContact CE2-CD2 3.78Å; Y483-F496 HydrophobicContact CE2-CE1 4.26Å; Y483-F496 AromaticContact CE2-CE2 3.17Å; Y483-F496 HydrophobicContact CE2-CE2 3.17Å; Y483-F496 AromaticContact CE2-CZ 3.52Å; Y483-F496 HydrophobicContact CE2-CZ 3.52Å
484	R	75.4	Confident	82.4	Confident	204 Å²	204	51.3 Å²	51.3	77%	0.77	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	33.8	-179.8	-58.6	-179.9	177.9	176.9	-3.5	112.9	R486 L726	R484-R486 VanDerWaalsContact C-N 3.32Å; R484-R486 PolarHBondContact O-N 3.37Å; R484-L726 PolarHBondContact NH2-OXT 2.87Å
485	G	75.6	Confident	82.3	Confident	49 Å²	49	49.5 Å²	49.5	51%	0.505	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	8.4	-179.7	0	0	0	0	0	114.9	G480 Y483 R487	G480-G485 WeakPolarHBondContact O-CA 3.26Å; G480-G485 PolarHBondContact O-N 2.94Å; G480-G485 VanDerWaalsContact O-N 3.09Å; Y483-G485 PolarHBondContact O-N 3.35Å; Y483-G485 VanDerWaalsContact O-N 3.09Å; G485-R487 PolarHBondContact O-N 3.21Å
486	R	71.3	Confident	82.3	Confident	77 Å²	77	44.7 Å²	44.7	29%	0.291	24%	0.24	S	C	.	.			trans	-71.5	111.5	179.2	-173.8	-175.7	-178	111	37.9	111.5	N176 G480 Y483 R484 S488	N176-R486 VanDerWaalsContact CB-NH1 3.34Å; N176-R486 PolarHBondContact ND2-NE 2.7Å; N176-R486 VanDerWaalsContact ND2-NE 3.13Å; N176-R486 PolarHBondContact ND2-NH1 2.7Å; N176-R486 PolarHBondContact OD1-NH2 3.18Å; G480-R486 WeakPolarHBondContact CA-O 3.45Å; Y483-R486 WeakPolarHBondContact O-CB 3.41Å; Y483-R486 PolarHBondContact O-N 3.07Å; R484-R486 VanDerWaalsContact C-N 3.32Å; R484-R486 PolarHBondContact O-N 3.37Å; R486-S488 VanDerWaalsContact C-N 3.27Å; R486-S488 PolarHBondContact NE-O 2.72Å; R486-S488 PolarHBondContact O-N 2.78Å
487	R	84.3	Confident	82.4	Confident	162 Å²	162	46.2 Å²	46.2	61%	0.611	25%	0.246	S	C	*	.	S	Bend	trans	-65.5	-24.7	-177.3	-50.1	-168.6	177.1	177.8	-1.7	114.4	L479 G485 T495 F496	L479-R487 HydrophobicContact CB-CG 4.12Å; G485-R487 PolarHBondContact O-N 3.21Å; R487-T495 CarbonylContact O-C 3.48Å; R487-T495 VanDerWaalsContact O-CA 3.23Å; R487-T495 WeakPolarHBondContact O-CA 3.32Å; R487-F496 PolarHBondContact O-N 3.18Å
488	S	80.2	Confident	82.6	Confident	26 Å²	26	45.5 Å²	45.5	18%	0.182	24%	0.24	C	C	.	.			trans	-137.6	81.2	-177.4	-61.4	0	0	0	0	109.5	N176 R486 T491 E494	N176-S488 PolarHBondContact OD1-O 3.03Å; R486-S488 VanDerWaalsContact C-N 3.27Å; R486-S488 PolarHBondContact NE-O 2.72Å; R486-S488 PolarHBondContact O-N 2.78Å; S488-T491 WeakPolarHBondContact CB-O 3.36Å; S488-E494 VanDerWaalsContact CB-O 3.28Å; S488-E494 WeakPolarHBondContact CB-O 3.22Å; S488-E494 PolarHBondContact OG-O 3.18Å
489	P	74	Confident	82.8	Confident	2 Å²	2	44 Å²	44	1%	0.013	23%	0.23	C	C	.	.	S	Bend	trans	-82.7	-30.3	-177.1	30.8	-32.3	0	0	0	113.6	N176 Y483 F496	N176-P489 PolarHBondContact ND2-O 3.37Å; N176-P489 PolarHBondContact OD1-O 3.31Å; Y483-P489 HydrophobicContact CD1-CB 3.46Å; Y483-P489 VanDerWaalsContact CD1-CB 3.46Å; Y483-P489 HydrophobicContact CD1-CG 4.08Å; Y483-P489 HydrophobicContact CD2-CB 4.26Å; Y483-P489 HydrophobicContact CD2-CG 3.97Å; Y483-P489 HydrophobicContact CE1-CB 3.88Å; Y483-P489 HydrophobicContact CE1-CG 4.35Å; Y483-P489 HydrophobicContact CE2-CG 4.27Å; Y483-P489 HydrophobicContact CG-CB 3.68Å; Y483-P489 HydrophobicContact CG-CG 3.88Å; P489-F496 VanDerWaalsContact CD-CB 3.44Å; P489-F496 HydrophobicContact CG-CB 3.81Å; P489-F496 HydrophobicContact CG-CD2 3.43Å; P489-F496 VanDerWaalsContact CG-CD2 3.43Å; P489-F496 HydrophobicContact CG-CE2 4.38Å; P489-F496 HydrophobicContact CG-CG 3.86Å
490	H	76.1	Confident	83	Confident	18 Å²	18	41.5 Å²	41.5	8%	0.083	22%	0.217	C	C	.	.	S	Bend	trans	-73.3	-68.4	177	45.3	-141.6	0	0	0	115.2	Y483 R552 H567	Y483-H490 AromaticContact CZ-CE1 3.88Å; Y483-H490 PolarHBondContact OH-CE1 3.46Å; Y483-H490 VanDerWaalsContact OH-CE1 3.3Å; H490-R552 PolarHBondContact NE2-NH2 2.88Å; H490-H567 AromaticContact CE1-CD2 3.47Å; H490-H567 PolarHBondContact CE1-CD2 3.37Å; H490-H567 VanDerWaalsContact CE1-CD2 3.47Å; H490-H567 AromaticContact CE1-NE2 3.41Å; H490-H567 PolarHBondContact CE1-NE2 3Å; H490-H567 AromaticContact NE2-CD2 3.55Å; H490-H567 AromaticContact NE2-NE2 3.94Å
491	T	79.2	Confident	83.7	Confident	6 Å²	6	41.7 Å²	41.7	4%	0.037	22%	0.218	C	C	.	.			trans	-149.1	141.4	-170.7	169.6	0	0	0	0	106.6	S488 H493 E494 D564	S488-T491 WeakPolarHBondContact CB-O 3.36Å; T491-H493 PolarHBondContact O-N 2.84Å; T491-H493 VanDerWaalsContact O-N 3.16Å; T491-H493 PolarHBondContact OG1-CD2 3.44Å; T491-H493 PolarHBondContact OG1-N 3.43Å; T491-E494 HydrophobicContact CG2-CB 3.92Å; T491-E494 HydrophobicContact CG2-CG 3.86Å; T491-E494 PolarHBondContact O-N 3.17Å; T491-D564 VanDerWaalsContact CB-OD2 3.3Å; T491-D564 WeakPolarHBondContact CB-OD2 3.19Å; T491-D564 PolarHBondContact OG1-OD2 3.31Å
492	P	79.4	Confident	84	Confident	50 Å²	50	40.9 Å²	40.9	33%	0.325	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.1	176.6	-13.6	26.3	0	0	0	113.9	R183 E494	R183-P492 VanDerWaalsContact NH1-CB 3.32Å; R183-P492 VanDerWaalsContact NH1-CG 3.32Å; R183-P492 VanDerWaalsContact NH2-CD 3.27Å; P492-E494 VanDerWaalsContact C-N 3.27Å; P492-E494 PolarHBondContact O-N 3.4Å
493	H	85.3	Confident	85	Confident	23 Å²	23	41.8 Å²	41.8	11%	0.106	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.9	-178.2	-57.8	-66.7	0	0	0	114	R183 T491 A555 E558 Q559 R562 D564	R183-H493 PolarHBondContact NH1-CD2 3.03Å; R183-H493 PolarHBondContact NH1-CE1 2.91Å; R183-H493 PolarHBondContact NH1-ND1 2.71Å; R183-H493 PolarHBondContact NH1-NE2 3.46Å; R183-H493 PolarHBondContact NH2-CD2 3.43Å; R183-H493 PolarHBondContact NH2-NE2 2.83Å; T491-H493 PolarHBondContact O-N 2.84Å; T491-H493 VanDerWaalsContact O-N 3.16Å; T491-H493 PolarHBondContact OG1-CD2 3.44Å; T491-H493 PolarHBondContact OG1-N 3.43Å; H493-A555 WeakPolarHBondContact O-CB 3.34Å; H493-A555 PolarHBondContact O-N 3.1Å; H493-E558 IonicContact CE1-OE2 2.93Å; H493-E558 PolarHBondContact CE1-OE2 3.2Å; H493-E558 VanDerWaalsContact CE1-OE2 3.29Å; H493-E558 PolarHBondContact ND1-O 3.4Å; H493-E558 IonicContact ND1-OE2 3.86Å; H493-E558 PolarHBondContact ND1-OE2 2.99Å; H493-Q559 PolarHBondContact O-NE2 3Å; H493-Q559 VanDerWaalsContact O-NE2 3.11Å; H493-R562 VanDerWaalsContact CD2-CD 3.42Å; H493-R562 WeakPolarHBondContact CD2-CD 3.26Å; H493-R562 PolarHBondContact CD2-NE 3.41Å; H493-D564 IonicContact CD2-OD1 2.7Å; H493-D564 IonicContact CD2-OD2 3.6Å
494	E	89.8	Confident	86.1	Confident	3 Å²	3	39.2 Å²	39.2	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.8	179.5	-64.1	174.3	-150	0	0	110.8	S488 T491 P492 S553 R562 S566 A646 V647	S488-E494 VanDerWaalsContact CB-O 3.28Å; S488-E494 WeakPolarHBondContact CB-O 3.22Å; S488-E494 PolarHBondContact OG-O 3.18Å; T491-E494 HydrophobicContact CG2-CB 3.92Å; T491-E494 HydrophobicContact CG2-CG 3.86Å; T491-E494 PolarHBondContact O-N 3.17Å; P492-E494 VanDerWaalsContact C-N 3.27Å; P492-E494 PolarHBondContact O-N 3.4Å; E494-S553 CarbonylContact C-O 3.57Å; E494-S553 WeakPolarHBondContact CA-O 3.43Å; E494-R562 IonicContact OE1-CZ 2.96Å; E494-R562 IonicContact OE1-NH1 2.7Å; E494-R562 IonicContact OE1-NH2 3.74Å; E494-R562 PolarHBondContact OE1-NH2 3.06Å; E494-S566 WeakPolarHBondContact OE1-CB 3.44Å; E494-S566 VanDerWaalsContact OE2-CB 3.25Å; E494-S566 WeakPolarHBondContact OE2-CB 3.05Å; E494-S566 PolarHBondContact OE2-OG 3.33Å; E494-A646 WeakPolarHBondContact OE1-CA 3.36Å; E494-V647 HydrophobicContact CG-CB 4.48Å; E494-V647 PolarHBondContact OE1-N 3.44Å
495	T	91.1	Very high	86.9	Confident	45 Å²	45	29.5 Å²	29.5	28%	0.276	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.2	169.6	60.8	0	0	0	0	111	R487 R552 S553	R487-T495 CarbonylContact O-C 3.48Å; R487-T495 VanDerWaalsContact O-CA 3.23Å; R487-T495 WeakPolarHBondContact O-CA 3.32Å; T495-R552 VanDerWaalsContact O-CA 3.29Å; T495-R552 WeakPolarHBondContact O-CA 3.48Å; T495-S553 PolarHBondContact N-O 3.29Å; T495-S553 PolarHBondContact O-N 3.48Å; T495-S553 WeakPolarHBondContact OG1-CB 3.36Å
496	F	92.2	Very high	87.8	Confident	2 Å²	2	31 Å²	31	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.6	176.5	-177.4	-59.9	0	0	0	109.6	L479 G480 D481 Y483 R487 P489 H548 V550	L479-F496 WeakPolarHBondContact CA-O 3.4Å; G480-F496 PolarHBondContact N-O 3.36Å; D481-F496 WeakPolarHBondContact O-CE1 3.35Å; Y483-F496 HydrophobicContact CD2-CD1 4.36Å; Y483-F496 AromaticContact CD2-CD2 3.92Å; Y483-F496 HydrophobicContact CD2-CD2 3.92Å; Y483-F496 HydrophobicContact CD2-CE1 4.11Å; Y483-F496 AromaticContact CD2-CE2 3.67Å; Y483-F496 HydrophobicContact CD2-CE2 3.67Å; Y483-F496 HydrophobicContact CD2-CG 4.38Å; Y483-F496 AromaticContact CD2-CZ 3.84Å; Y483-F496 HydrophobicContact CD2-CZ 3.84Å; Y483-F496 AromaticContact CE2-CD2 3.78Å; Y483-F496 HydrophobicContact CE2-CD2 3.78Å; Y483-F496 HydrophobicContact CE2-CE1 4.26Å; Y483-F496 AromaticContact CE2-CE2 3.17Å; Y483-F496 HydrophobicContact CE2-CE2 3.17Å; Y483-F496 AromaticContact CE2-CZ 3.52Å; Y483-F496 HydrophobicContact CE2-CZ 3.52Å; R487-F496 PolarHBondContact O-N 3.18Å; P489-F496 VanDerWaalsContact CD-CB 3.44Å; P489-F496 HydrophobicContact CG-CB 3.81Å; P489-F496 HydrophobicContact CG-CD2 3.43Å; P489-F496 VanDerWaalsContact CG-CD2 3.43Å; P489-F496 HydrophobicContact CG-CE2 4.38Å; P489-F496 HydrophobicContact CG-CG 3.86Å; F496-H548 AromaticContact CE1-CE1 3.87Å; F496-H548 AromaticContact CZ-CE1 3.59Å; F496-V550 HydrophobicContact CZ-CB 4.46Å; F496-V550 HydrophobicContact CZ-CG1 3.8Å
497	E	94.9	Very high	88.8	Confident	37 Å²	37	28.7 Å²	28.7	17%	0.173	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.1	166.1	-62.3	166.8	105.7	0	0	109.2	A477 S478 L479 V550 C551	A477-E497 HydrophobicContact CB-CB 4.02Å; S478-E497 CarbonylContact O-C 3.57Å; S478-E497 VanDerWaalsContact O-CA 3.3Å; S478-E497 WeakPolarHBondContact O-CA 3.47Å; L479-E497 HydrophobicContact CD2-CG 3.58Å; L479-E497 HydrophobicContact CG-CG 4.16Å; E497-V550 WeakPolarHBondContact O-CA 3.4Å; E497-C551 HydrophobicContact CB-CB 4.24Å; E497-C551 PolarHBondContact N-O 3.28Å; E497-C551 PolarHBondContact O-N 3.34Å
498	G	95	Very high	89.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.6	-178.9	0	0	0	0	0	114.1	A477 S478 D481 H548 L549	A477-G498 CarbonylContact C-O 3.43Å; A477-G498 WeakPolarHBondContact CA-O 3.46Å; S478-G498 PolarHBondContact N-O 3.06Å; S478-G498 PolarHBondContact O-N 3.29Å; D481-G498 WeakPolarHBondContact CB-O 3.07Å; G498-H548 WeakPolarHBondContact CA-NE2 3.2Å; G498-L549 CarbonylContact C-O 3.56Å; G498-L549 WeakPolarHBondContact CA-O 3.28Å
499	L	95.5	Very high	89.7	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	121.3	178.1	178.5	63.2	0	0	0	110.5	L472 A476 A477 R503 A504 L521 L549	L472-L499 HydrophobicContact CD2-CD2 4.33Å; L472-L499 HydrophobicContact CG-CD2 4.02Å; A476-L499 HydrophobicContact CB-CD1 3.95Å; A476-L499 HydrophobicContact CB-CD2 3.75Å; A476-L499 HydrophobicContact CB-CG 4.5Å; A477-L499 HydrophobicContact CB-CB 4.27Å; L499-R503 HydrophobicContact CD1-CB 4.12Å; L499-R503 HydrophobicContact CD1-CG 3.95Å; L499-A504 HydrophobicContact CD1-CB 4.05Å; L499-A504 HydrophobicContact CD2-CB 4.08Å; L499-A504 HydrophobicContact CG-CB 4.13Å; L499-L521 HydrophobicContact CD2-CD2 4.29Å; L499-L549 HydrophobicContact CB-CB 4.26Å; L499-L549 HydrophobicContact CB-CD2 4.24Å; L499-L549 PolarHBondContact N-O 3.04Å; L499-L549 PolarHBondContact O-N 2.92Å
500	T	94.1	Very high	90.4	Very high	17 Å²	17	31.1 Å²	31.1	10%	0.104	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	159.5	170	72.1	0	0	0	0	111.7	R503 A504 F546 E669	T500-R503 PolarHBondContact O-N 3.17Å; T500-R503 WeakPolarHBondContact OG1-CB 3.42Å; T500-R503 PolarHBondContact OG1-N 3.32Å; T500-A504 PolarHBondContact O-N 3.11Å; T500-F546 HydrophobicContact CG2-CE2 4.35Å; T500-F546 HydrophobicContact CG2-CZ 4.3Å; T500-E669 PolarHBondContact OG1-OE2 3.38Å
501	I	93.6	Very high	91.1	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-50.2	-180	-63.4	175.8	0	0	0	110.8	R503 A504 V505 H522 T547 R670 A673	I501-R503 VanDerWaalsContact C-N 3.27Å; I501-R503 PolarHBondContact O-N 3.05Å; I501-A504 WeakPolarHBondContact O-CB 3.41Å; I501-A504 PolarHBondContact O-N 3.45Å; I501-A504 VanDerWaalsContact O-N 3.11Å; I501-V505 HydrophobicContact CG2-CG2 4.47Å; I501-V505 WeakPolarHBondContact O-CG2 3.43Å; I501-V505 PolarHBondContact O-N 3.41Å; I501-H522 HydrophobicContact CG2-CB 4.28Å; I501-T547 HydrophobicContact CD1-CG2 3.89Å; I501-T547 HydrophobicContact CG1-CG2 4.09Å; I501-R670 HydrophobicContact CD1-CG 4.14Å; I501-A673 HydrophobicContact CG2-CB 3.93Å
502	L	93.1	Very high	91.6	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-40.5	-178.1	178.6	59.3	0	0	0	112	V505 K506 E669 E672 A673 M676	L502-V505 PolarHBondContact O-N 2.88Å; L502-K506 HydrophobicContact CD1-CD 4.33Å; L502-K506 HydrophobicContact CG-CD 4.2Å; L502-K506 WeakPolarHBondContact O-CG 3.31Å; L502-K506 PolarHBondContact O-N 3.46Å; L502-E669 HydrophobicContact CB-CB 3.91Å; L502-E669 HydrophobicContact CD2-CB 3.85Å; L502-E669 HydrophobicContact CD2-CG 3.93Å; L502-E672 HydrophobicContact CD1-CB 4.02Å; L502-E672 HydrophobicContact CD1-CG 3.77Å; L502-E672 HydrophobicContact CD2-CB 4.39Å; L502-E672 HydrophobicContact CD2-CG 4.36Å; L502-A673 HydrophobicContact CD1-CB 4.23Å; L502-M676 HydrophobicContact CD1-SD 3.78Å
503	R	93.3	Very high	92.2	Very high	86 Å²	86	36.5 Å²	36.5	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-44.9	175.5	-178.4	175.8	-176.5	160.2	7.9	111.9	S478 D481 L499 T500 I501 V505 K506 L507	S478-R503 PolarHBondContact OG-NH1 3.11Å; S478-R503 PolarHBondContact OG-NH2 2.86Å; D481-R503 IonicContact OD1-CZ 2.82Å; D481-R503 IonicContact OD1-NH1 2.94Å; D481-R503 PolarHBondContact OD1-NH1 3.26Å; L499-R503 HydrophobicContact CD1-CB 4.12Å; L499-R503 HydrophobicContact CD1-CG 3.95Å; T500-R503 PolarHBondContact O-N 3.17Å; T500-R503 WeakPolarHBondContact OG1-CB 3.42Å; T500-R503 PolarHBondContact OG1-N 3.32Å; I501-R503 VanDerWaalsContact C-N 3.27Å; I501-R503 PolarHBondContact O-N 3.05Å; R503-V505 VanDerWaalsContact C-N 3.3Å; R503-V505 PolarHBondContact O-N 3.09Å; R503-K506 PolarHBondContact O-N 3.27Å; R503-L507 HydrophobicContact CG-CD1 4.21Å; R503-L507 WeakPolarHBondContact O-CG 3.3Å; R503-L507 PolarHBondContact O-N 2.89Å
504	A	94.3	Very high	92.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-45.7	176.3	0	0	0	0	0	110.7	L499 T500 I501 L507 S508 T518 L521	L499-A504 HydrophobicContact CD1-CB 4.05Å; L499-A504 HydrophobicContact CD2-CB 4.08Å; L499-A504 HydrophobicContact CG-CB 4.13Å; T500-A504 PolarHBondContact O-N 3.11Å; I501-A504 WeakPolarHBondContact O-CB 3.41Å; I501-A504 PolarHBondContact O-N 3.45Å; I501-A504 VanDerWaalsContact O-N 3.11Å; A504-L507 PolarHBondContact O-N 3.44Å; A504-S508 PolarHBondContact O-N 2.76Å; A504-T518 HydrophobicContact CB-CG2 3.9Å; A504-T518 WeakPolarHBondContact O-CG2 3.46Å; A504-L521 HydrophobicContact CB-CD2 4.04Å
505	V	93.8	Very high	92.6	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-44	177.7	174.6	0	0	0	0	112.4	I501 L502 R503 L507 S508 Q509 A673 M676 W677	I501-V505 HydrophobicContact CG2-CG2 4.47Å; I501-V505 WeakPolarHBondContact O-CG2 3.43Å; I501-V505 PolarHBondContact O-N 3.41Å; L502-V505 PolarHBondContact O-N 2.88Å; R503-V505 VanDerWaalsContact C-N 3.3Å; R503-V505 PolarHBondContact O-N 3.09Å; V505-L507 PolarHBondContact O-N 2.99Å; V505-S508 WeakPolarHBondContact O-CB 3.45Å; V505-S508 PolarHBondContact O-N 3.44Å; V505-S508 VanDerWaalsContact O-N 3.09Å; V505-Q509 PolarHBondContact O-N 3.46Å; V505-A673 HydrophobicContact CB-CB 4.37Å; V505-A673 HydrophobicContact CG2-CB 3.97Å; V505-M676 HydrophobicContact CG1-CB 4.19Å; V505-M676 HydrophobicContact CG1-SD 4.05Å; V505-W677 HydrophobicContact CG2-CH2 3.93Å; V505-W677 HydrophobicContact CG2-CZ2 3.27Å
506	K	92.9	Very high	92.7	Very high	79 Å²	79	44.9 Å²	44.9	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-59	-46.2	175.7	-76.2	171.8	176.8	164.9	0	111.8	L502 R503 S508 Q509 E510 E672 M676	L502-K506 HydrophobicContact CD1-CD 4.33Å; L502-K506 HydrophobicContact CG-CD 4.2Å; L502-K506 WeakPolarHBondContact O-CG 3.31Å; L502-K506 PolarHBondContact O-N 3.46Å; R503-K506 PolarHBondContact O-N 3.27Å; K506-S508 PolarHBondContact O-N 2.52Å; K506-Q509 PolarHBondContact O-N 2.81Å; K506-E510 PolarHBondContact O-N 3.25Å; K506-E510 VanDerWaalsContact O-N 3.16Å; K506-E672 IonicContact NZ-OE1 2.78Å; K506-E672 PolarHBondContact NZ-OE1 2.93Å; K506-M676 HydrophobicContact CG-CE 3.97Å; K506-M676 HydrophobicContact CG-SD 4.34Å
507	L	93.2	Very high	92.8	Very high	29 Å²	29	45.6 Å²	45.6	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-30.6	175.8	-68.3	171.2	0	0	0	112.4	A476 R503 A504 V505 E510 G511 L512 V513	A476-L507 HydrophobicContact CB-CD1 3.53Å; R503-L507 HydrophobicContact CG-CD1 4.21Å; R503-L507 WeakPolarHBondContact O-CG 3.3Å; R503-L507 PolarHBondContact O-N 2.89Å; A504-L507 PolarHBondContact O-N 3.44Å; V505-L507 PolarHBondContact O-N 2.99Å; L507-E510 PolarHBondContact O-N 2.89Å; L507-G511 PolarHBondContact O-N 2.75Å; L507-L512 HydrophobicContact CB-CB 4.48Å; L507-L512 HydrophobicContact CD2-CD1 3.67Å; L507-L512 WeakPolarHBondContact O-CB 3.44Å; L507-L512 PolarHBondContact O-N 2.67Å; L507-V513 HydrophobicContact CB-CG2 3.87Å
508	S	92.9	Very high	92.8	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-71.1	-39.6	175.7	-168.8	0	0	0	0	112.7	A504 V505 K506 E510 G511 V513 Q515	A504-S508 PolarHBondContact O-N 2.76Å; V505-S508 WeakPolarHBondContact O-CB 3.45Å; V505-S508 PolarHBondContact O-N 3.44Å; V505-S508 VanDerWaalsContact O-N 3.09Å; K506-S508 PolarHBondContact O-N 2.52Å; S508-E510 PolarHBondContact O-N 3.06Å; S508-G511 WeakPolarHBondContact O-CA 3.25Å; S508-G511 PolarHBondContact O-N 3.46Å; S508-V513 VanDerWaalsContact CA-O 3.29Å; S508-V513 WeakPolarHBondContact CA-O 3.45Å; S508-V513 WeakPolarHBondContact CB-O 3.48Å; S508-V513 PolarHBondContact OG-O 3.47Å; S508-Q515 WeakPolarHBondContact OG-CA 3.33Å; S508-Q515 PolarHBondContact OG-N 3.23Å
509	Q	89.6	Confident	92.7	Very high	91 Å²	91	49 Å²	49	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-64.2	-29.9	174	-70.7	-169.1	-26.1	0	0	112.7	V505 K506 G511 D680	V505-Q509 PolarHBondContact O-N 3.46Å; K506-Q509 PolarHBondContact O-N 2.81Å; Q509-G511 PolarHBondContact O-N 3.38Å; Q509-D680 PolarHBondContact NE2-OD1 2.87Å; Q509-D680 PolarHBondContact NE2-OD2 2.97Å
510	E	90.2	Very high	92.8	Very high	135 Å²	135	49.6 Å²	49.6	63%	0.631	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-3.6	172.7	-66.7	175	-174.4	0	0	113.2	K506 L507 S508 L512	K506-E510 PolarHBondContact O-N 3.25Å; K506-E510 VanDerWaalsContact O-N 3.16Å; L507-E510 PolarHBondContact O-N 2.89Å; S508-E510 PolarHBondContact O-N 3.06Å; E510-L512 VanDerWaalsContact C-N 3.29Å; E510-L512 HydrophobicContact CB-CD1 4.26Å; E510-L512 HydrophobicContact CB-CG 4.22Å; E510-L512 PolarHBondContact O-N 3.16Å
511	G	89.8	Confident	92.9	Very high	66 Å²	66	48.9 Å²	48.9	68%	0.68	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	15	-179.8	0	0	0	0	0	114.3	L507 S508 Q509	L507-G511 PolarHBondContact O-N 2.75Å; S508-G511 WeakPolarHBondContact O-CA 3.25Å; S508-G511 PolarHBondContact O-N 3.46Å; Q509-G511 PolarHBondContact O-N 3.38Å
512	L	89.9	Confident	93	Very high	105 Å²	105	49.8 Å²	49.8	55%	0.55	26%	0.259	S	S	.	.	S	Bend	trans	-84.3	-24.6	-179.4	-64.5	174.1	0	0	0	112.9	L507 E510	L507-L512 HydrophobicContact CB-CB 4.48Å; L507-L512 HydrophobicContact CD2-CD1 3.67Å; L507-L512 WeakPolarHBondContact O-CB 3.44Å; L507-L512 PolarHBondContact O-N 2.67Å; E510-L512 VanDerWaalsContact C-N 3.29Å; E510-L512 HydrophobicContact CB-CD1 4.26Å; E510-L512 HydrophobicContact CB-CG 4.22Å; E510-L512 PolarHBondContact O-N 3.16Å
513	V	92.9	Very high	93.1	Very high	16 Å²	16	54.1 Å²	54.1	10%	0.097	28%	0.279	C	S	.	.	S	Bend	trans	-140.5	151.4	176.8	-63	0	0	0	0	111.6	L472 V475 A476 L507 S508 T518	L472-V513 HydrophobicContact CD1-CB 3.81Å; L472-V513 HydrophobicContact CD1-CG1 3.81Å; L472-V513 HydrophobicContact CD1-CG2 4.05Å; V475-V513 HydrophobicContact CB-CG1 4.29Å; V475-V513 HydrophobicContact CG1-CG1 3.83Å; A476-V513 HydrophobicContact CB-CG1 4.08Å; L507-V513 HydrophobicContact CB-CG2 3.87Å; S508-V513 VanDerWaalsContact CA-O 3.29Å; S508-V513 WeakPolarHBondContact CA-O 3.45Å; S508-V513 WeakPolarHBondContact CB-O 3.48Å; S508-V513 PolarHBondContact OG-O 3.47Å; V513-T518 HydrophobicContact CG2-CG2 3.74Å
514	D	92.1	Very high	93.3	Very high	109 Å²	109	50 Å²	50	58%	0.583	26%	0.264	S	S	*	.			trans	-68	135.5	-177.1	-76.5	-18.6	0	0	0	112.1	S516 D517 T518	D514-S516 PolarHBondContact O-N 3.22Å; D514-D517 HydrophobicContact CB-CB 4.49Å; D514-D517 PolarHBondContact O-N 3.11Å; D514-T518 PolarHBondContact O-N 2.91Å
515	Q	90.8	Very high	93.4	Very high	75 Å²	75	50 Å²	50	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-30.5	178.7	-162.7	-177.2	29.9	0	0	111.7	S508 D517 T518 R519	S508-Q515 WeakPolarHBondContact OG-CA 3.33Å; S508-Q515 PolarHBondContact OG-N 3.23Å; Q515-D517 VanDerWaalsContact C-N 3.3Å; Q515-D517 PolarHBondContact O-N 2.98Å; Q515-T518 PolarHBondContact O-OG1 3.31Å; Q515-R519 VanDerWaalsContact CD-NH2 3.26Å; Q515-R519 VanDerWaalsContact NE2-NH2 3.16Å; Q515-R519 WeakPolarHBondContact O-CB 3.23Å; Q515-R519 WeakPolarHBondContact O-CG 3.3Å; Q515-R519 PolarHBondContact O-N 3.07Å; Q515-R519 VanDerWaalsContact O-N 3.07Å
516	S	93.1	Very high	93.4	Very high	62 Å²	62	52.4 Å²	52.4	43%	0.434	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-35.7	175	55.3	0	0	0	0	112.8	D514 L520	D514-S516 PolarHBondContact O-N 3.22Å; S516-L520 WeakPolarHBondContact O-CB 3.41Å; S516-L520 PolarHBondContact O-N 2.92Å
517	D	94.3	Very high	93.6	Very high	18 Å²	18	50.8 Å²	50.8	10%	0.096	27%	0.266	C	S	.	.	H	α-helix	trans	-79.9	-33.8	-174	-64.7	-6.7	0	0	0	110.6	K468 L472 D514 Q515 L520 L521	K468-D517 IonicContact NZ-OD1 3.33Å; L472-D517 HydrophobicContact CD2-CB 4.39Å; D514-D517 HydrophobicContact CB-CB 4.49Å; D514-D517 PolarHBondContact O-N 3.11Å; Q515-D517 VanDerWaalsContact C-N 3.3Å; Q515-D517 PolarHBondContact O-N 2.98Å; D517-L520 PolarHBondContact O-N 3.34Å; D517-L521 PolarHBondContact O-N 3.18Å
518	T	93.6	Very high	93.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.8	-36.8	173.2	63.1	0	0	0	0	112.7	L472 A504 V513 D514 Q515 L521 H522	L472-T518 HydrophobicContact CD1-CG2 4.35Å; A504-T518 HydrophobicContact CB-CG2 3.9Å; A504-T518 WeakPolarHBondContact O-CG2 3.46Å; V513-T518 HydrophobicContact CG2-CG2 3.74Å; D514-T518 PolarHBondContact O-N 2.91Å; Q515-T518 PolarHBondContact O-OG1 3.31Å; T518-L521 PolarHBondContact O-N 2.94Å; T518-H522 PolarHBondContact O-N 3.47Å
519	R	94.6	Very high	93.9	Very high	107 Å²	107	51.6 Å²	51.6	40%	0.404	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-44.2	169.7	-75.4	-178.9	-173.5	162.2	6.1	111.5	Q515 L521 H522 E523 W677	Q515-R519 VanDerWaalsContact CD-NH2 3.26Å; Q515-R519 VanDerWaalsContact NE2-NH2 3.16Å; Q515-R519 WeakPolarHBondContact O-CB 3.23Å; Q515-R519 WeakPolarHBondContact O-CG 3.3Å; Q515-R519 PolarHBondContact O-N 3.07Å; Q515-R519 VanDerWaalsContact O-N 3.07Å; R519-L521 VanDerWaalsContact C-N 3.32Å; R519-L521 PolarHBondContact O-N 3.24Å; R519-H522 PolarHBondContact O-N 3.05Å; R519-H522 VanDerWaalsContact O-N 3.16Å; R519-E523 WeakPolarHBondContact O-CB 3.46Å; R519-E523 VanDerWaalsContact O-CG 3.32Å; R519-E523 WeakPolarHBondContact O-CG 3.29Å; R519-E523 PolarHBondContact O-N 2.9Å; R519-W677 HydrophobicContact CG-CH2 4.22Å; R519-W677 HydrophobicContact CG-CZ2 3.78Å
520	L	96.5	Very high	94.2	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-44.3	175.5	179.7	62.2	0	0	0	111.5	E465 K468 I469 S516 D517 H522 E523 L524	E465-L520 HydrophobicContact CB-CD2 4.11Å; E465-L520 HydrophobicContact CG-CD1 4.11Å; E465-L520 HydrophobicContact CG-CD2 4.08Å; K468-L520 HydrophobicContact CB-CD2 4.19Å; K468-L520 HydrophobicContact CD-CD2 4.17Å; I469-L520 HydrophobicContact CD1-CB 4.19Å; I469-L520 HydrophobicContact CD1-CD2 3.9Å; I469-L520 HydrophobicContact CD1-CG 3.9Å; I469-L520 HydrophobicContact CG1-CD2 3.96Å; I469-L520 HydrophobicContact CG1-CG 4.24Å; S516-L520 WeakPolarHBondContact O-CB 3.41Å; S516-L520 PolarHBondContact O-N 2.92Å; D517-L520 PolarHBondContact O-N 3.34Å; L520-H522 VanDerWaalsContact C-N 3.3Å; L520-H522 PolarHBondContact O-N 3.14Å; L520-E523 PolarHBondContact O-N 2.99Å; L520-L524 HydrophobicContact CD1-CG 4.28Å; L520-L524 HydrophobicContact CG-CD1 4.28Å; L520-L524 HydrophobicContact CG-CG 4.46Å; L520-L524 VanDerWaalsContact O-CG 3.23Å; L520-L524 WeakPolarHBondContact O-CG 3.49Å; L520-L524 PolarHBondContact O-N 3.26Å
521	L	95.9	Very high	94.5	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-42.7	176.8	-179.8	61.8	0	0	0	112.4	I469 L472 L499 A504 D517 T518 R519 L549 L655	I469-L521 HydrophobicContact CD1-CB 4.06Å; I469-L521 HydrophobicContact CG2-CD1 4.45Å; L472-L521 HydrophobicContact CD2-CB 4.16Å; L472-L521 HydrophobicContact CD2-CD2 4.08Å; L499-L521 HydrophobicContact CD2-CD2 4.29Å; A504-L521 HydrophobicContact CB-CD2 4.04Å; D517-L521 PolarHBondContact O-N 3.18Å; T518-L521 PolarHBondContact O-N 2.94Å; R519-L521 VanDerWaalsContact C-N 3.32Å; R519-L521 PolarHBondContact O-N 3.24Å; L521-L549 HydrophobicContact CD1-CB 4.32Å; L521-L549 HydrophobicContact CD1-CD1 3.93Å; L521-L655 HydrophobicContact CD1-CD1 3.72Å; L521-L655 HydrophobicContact CD1-CD2 4.43Å
522	H	95.6	Very high	94.7	Very high	23 Å²	23	40.9 Å²	40.9	11%	0.106	20%	0.202	C	C	.	.	H	α-helix	trans	-69.5	-43.3	176.7	170.6	-77.6	0	0	0	112.9	I501 T518 R519 L520 L524 G525 E526 R670 E674 W677	I501-H522 HydrophobicContact CG2-CB 4.28Å; T518-H522 PolarHBondContact O-N 3.47Å; R519-H522 PolarHBondContact O-N 3.05Å; R519-H522 VanDerWaalsContact O-N 3.16Å; L520-H522 VanDerWaalsContact C-N 3.3Å; L520-H522 PolarHBondContact O-N 3.14Å; H522-L524 VanDerWaalsContact C-N 3.29Å; H522-L524 PolarHBondContact O-N 3.43Å; H522-G525 PolarHBondContact O-N 3.3Å; H522-G525 VanDerWaalsContact O-N 3.07Å; H522-E526 PolarHBondContact O-N 3.08Å; H522-R670 VanDerWaalsContact CD2-CZ 3.49Å; H522-R670 PolarHBondContact CD2-NE 3.09Å; H522-R670 PolarHBondContact CE1-NH2 2.91Å; H522-R670 PolarHBondContact NE2-NE 3Å; H522-R670 PolarHBondContact NE2-NH1 3.47Å; H522-R670 PolarHBondContact NE2-NH2 2.98Å; H522-R670 VanDerWaalsContact NE2-NH2 3.18Å; H522-R670 PolarHBondContact O-NH2 3.28Å; H522-E674 IonicContact CD2-OE1 2.91Å; H522-E674 IonicContact CE1-OE1 2.81Å; H522-E674 WeakPolarHBondContact NE2-CG 3.31Å; H522-E674 IonicContact NE2-OE1 3.96Å; H522-E674 PolarHBondContact NE2-OE1 3.47Å; H522-W677 HydrophobicContact CB-CH2 3.55Å; H522-W677 HydrophobicContact CB-CZ3 3.96Å; H522-W677 AromaticContact CD2-CZ3 3.68Å; H522-W677 AromaticContact CG-CH2 3.82Å; H522-W677 AromaticContact CG-CZ3 3.67Å
523	E	95.9	Very high	94.9	Very high	100 Å²	100	39 Å²	39	47%	0.467	19%	0.19	S	C	.	.	H	α-helix	trans	-61.9	-35.6	178.4	-75.5	174	-170.7	0	0	112	R519 L520 G525 E526 R527	R519-E523 WeakPolarHBondContact O-CB 3.46Å; R519-E523 VanDerWaalsContact O-CG 3.32Å; R519-E523 WeakPolarHBondContact O-CG 3.29Å; R519-E523 PolarHBondContact O-N 2.9Å; L520-E523 PolarHBondContact O-N 2.99Å; E523-G525 VanDerWaalsContact C-N 3.27Å; E523-G525 PolarHBondContact O-N 3.39Å; E523-E526 PolarHBondContact O-N 3.42Å; E523-R527 WeakPolarHBondContact O-CB 3.21Å; E523-R527 PolarHBondContact O-N 3Å
524	L	97.1	Very high	94.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-37.1	174.2	-71	170.1	0	0	0	111.9	M461 I469 L520 H522 R527 V528 L599 L655	M461-L524 HydrophobicContact CE-CD1 3.44Å; M461-L524 VanDerWaalsContact CE-CD1 3.44Å; M461-L524 HydrophobicContact CE-CD2 3.97Å; M461-L524 HydrophobicContact CE-CG 4.36Å; M461-L524 HydrophobicContact CG-CD2 3.61Å; M461-L524 HydrophobicContact SD-CD1 3.91Å; M461-L524 HydrophobicContact SD-CD2 3.9Å; I469-L524 HydrophobicContact CD1-CD1 4.18Å; I469-L524 HydrophobicContact CG1-CD1 3.76Å; L520-L524 HydrophobicContact CD1-CG 4.28Å; L520-L524 HydrophobicContact CG-CD1 4.28Å; L520-L524 HydrophobicContact CG-CG 4.46Å; L520-L524 VanDerWaalsContact O-CG 3.23Å; L520-L524 WeakPolarHBondContact O-CG 3.49Å; L520-L524 PolarHBondContact O-N 3.26Å; H522-L524 VanDerWaalsContact C-N 3.29Å; H522-L524 PolarHBondContact O-N 3.43Å; L524-R527 PolarHBondContact O-N 2.71Å; L524-V528 WeakPolarHBondContact O-CG2 3.44Å; L524-V528 PolarHBondContact O-N 3.13Å; L524-L599 HydrophobicContact CB-CD2 4.43Å; L524-L599 HydrophobicContact CD2-CD2 4.33Å; L524-L655 HydrophobicContact CB-CD2 4.07Å
525	G	95.9	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-47.2	172.2	0	0	0	0	0	112.4	H522 E523 V528 R529	H522-G525 PolarHBondContact O-N 3.3Å; H522-G525 VanDerWaalsContact O-N 3.07Å; E523-G525 VanDerWaalsContact C-N 3.27Å; E523-G525 PolarHBondContact O-N 3.39Å; G525-V528 PolarHBondContact O-N 3.09Å; G525-R529 WeakPolarHBondContact O-CB 3.37Å; G525-R529 PolarHBondContact O-N 3.43Å
526	E	95.3	Very high	95	Very high	53 Å²	53	31 Å²	31	25%	0.248	15%	0.152	C	C	.	.	H	α-helix	trans	-64.5	-38.8	175.3	-77.7	-48.7	133.4	0	0	113	H522 E523 R529 T530 R670	H522-E526 PolarHBondContact O-N 3.08Å; E523-E526 PolarHBondContact O-N 3.42Å; E526-R529 WeakPolarHBondContact O-CB 3.44Å; E526-R529 PolarHBondContact O-N 3.11Å; E526-R529 IonicContact OE1-NE 3.78Å; E526-R529 IonicContact OE2-CZ 3.64Å; E526-R529 VanDerWaalsContact OE2-CZ 3.25Å; E526-R529 IonicContact OE2-NE 3.45Å; E526-R529 PolarHBondContact OE2-NE 2.95Å; E526-R529 IonicContact OE2-NH2 3.59Å; E526-R529 PolarHBondContact OE2-NH2 2.85Å; E526-T530 WeakPolarHBondContact O-CB 3.44Å; E526-T530 PolarHBondContact O-N 3.15Å; E526-T530 PolarHBondContact O-OG1 2.9Å; E526-R670 VanDerWaalsContact CG-NH2 3.28Å; E526-R670 IonicContact OE1-CZ 2.9Å; E526-R670 IonicContact OE1-NH1 2.71Å; E526-R670 PolarHBondContact OE1-NH1 3.33Å; E526-R670 IonicContact OE1-NH2 3.27Å; E526-R670 PolarHBondContact OE1-NH2 3.5Å
527	R	96.4	Very high	94.8	Very high	45 Å²	45	35 Å²	35	17%	0.17	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-51.6	178.1	-171.1	-175.4	-64.8	179.4	6.1	109.7	Q437 V460 E465 E523 L524 R529 T530 L531	Q437-R527 VanDerWaalsContact OE1-CG 3.23Å; V460-R527 HydrophobicContact CG1-CG 4.41Å; V460-R527 VanDerWaalsContact O-CD 3.24Å; V460-R527 WeakPolarHBondContact O-CD 3.4Å; V460-R527 PolarHBondContact O-NH1 3.39Å; E465-R527 IonicContact OE1-CZ 3.44Å; E465-R527 IonicContact OE1-NH1 3.5Å; E465-R527 PolarHBondContact OE1-NH1 2.93Å; E465-R527 IonicContact OE1-NH2 2.76Å; E465-R527 PolarHBondContact OE1-NH2 2.81Å; E465-R527 IonicContact OE2-NH1 3.55Å; E465-R527 PolarHBondContact OE2-NH1 2.9Å; E465-R527 VanDerWaalsContact OE2-NH1 3.16Å; E523-R527 WeakPolarHBondContact O-CB 3.21Å; E523-R527 PolarHBondContact O-N 3Å; L524-R527 PolarHBondContact O-N 2.71Å; R527-R529 PolarHBondContact O-N 2.9Å; R527-T530 PolarHBondContact O-N 2.92Å; R527-L531 HydrophobicContact CG-CD1 4.3Å; R527-L531 VanDerWaalsContact O-CG 3.27Å; R527-L531 WeakPolarHBondContact O-CG 3.47Å; R527-L531 PolarHBondContact O-N 2.88Å
528	V	97.5	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-46.2	175.5	174.3	0	0	0	0	111	V460 L524 G525 T530 L531 L532 A597 L599 L631 L657 F659	V460-V528 HydrophobicContact CG1-CG2 4.33Å; L524-V528 WeakPolarHBondContact O-CG2 3.44Å; L524-V528 PolarHBondContact O-N 3.13Å; G525-V528 PolarHBondContact O-N 3.09Å; V528-T530 VanDerWaalsContact C-N 3.28Å; V528-T530 PolarHBondContact O-N 2.79Å; V528-L531 PolarHBondContact O-N 3.06Å; V528-L532 HydrophobicContact CG1-CD1 3.89Å; V528-L532 HydrophobicContact CG1-CG 4.12Å; V528-L532 WeakPolarHBondContact O-CG 3.32Å; V528-L532 PolarHBondContact O-N 2.85Å; V528-A597 HydrophobicContact CG1-CB 3.88Å; V528-L599 HydrophobicContact CG2-CB 4.44Å; V528-L599 HydrophobicContact CG2-CD2 3.9Å; V528-L631 HydrophobicContact CB-CD1 4.49Å; V528-L631 HydrophobicContact CB-CD2 4.49Å; V528-L631 HydrophobicContact CG1-CD1 3.73Å; V528-L631 HydrophobicContact CG1-CD2 3.93Å; V528-L631 HydrophobicContact CG1-CG 4.49Å; V528-L631 HydrophobicContact CG2-CD1 3.88Å; V528-L631 HydrophobicContact CG2-CD2 4.19Å; V528-L657 HydrophobicContact CB-CD1 3.73Å; V528-L657 HydrophobicContact CG1-CD1 3.68Å; V528-L657 HydrophobicContact CG2-CD1 3.79Å; V528-F659 HydrophobicContact CG1-CE2 4.39Å; V528-F659 HydrophobicContact CG1-CZ 3.94Å
529	R	95.6	Very high	92.9	Very high	62 Å²	62	37.8 Å²	37.8	23%	0.234	18%	0.176	C	C	.	.	H	α-helix	trans	-54	-46.7	177.3	-166.9	-174.9	68.1	69.4	8.7	111.3	G525 E526 R527 H533 L542 I544 F659	G525-R529 WeakPolarHBondContact O-CB 3.37Å; G525-R529 PolarHBondContact O-N 3.43Å; E526-R529 WeakPolarHBondContact O-CB 3.44Å; E526-R529 PolarHBondContact O-N 3.11Å; E526-R529 IonicContact OE1-NE 3.78Å; E526-R529 IonicContact OE2-CZ 3.64Å; E526-R529 VanDerWaalsContact OE2-CZ 3.25Å; E526-R529 IonicContact OE2-NE 3.45Å; E526-R529 PolarHBondContact OE2-NE 2.95Å; E526-R529 IonicContact OE2-NH2 3.59Å; E526-R529 PolarHBondContact OE2-NH2 2.85Å; R527-R529 PolarHBondContact O-N 2.9Å; R529-H533 WeakPolarHBondContact O-CB 3.22Å; R529-H533 PolarHBondContact O-N 2.84Å; R529-L542 WeakPolarHBondContact CD-O 3.38Å; R529-L542 HydrophobicContact CG-CD2 4.16Å; R529-L542 HydrophobicContact CG-CG 4.46Å; R529-L542 PolarHBondContact NH1-O 3.47Å; R529-I544 HydrophobicContact CB-CD1 4.43Å; R529-I544 HydrophobicContact CB-CG1 4.45Å; R529-I544 HydrophobicContact CG-CG1 4.41Å; R529-F659 HydrophobicContact CB-CD1 4.42Å; R529-F659 HydrophobicContact CB-CE1 3.67Å; R529-F659 HydrophobicContact CB-CZ 4.44Å; R529-F659 HydrophobicContact CG-CD1 3.99Å; R529-F659 HydrophobicContact CG-CE1 3.74Å
530	T	95	Very high	91.5	Very high	66 Å²	66	39 Å²	39	41%	0.405	20%	0.201	S	C	.	.	H	α-helix	trans	-66.1	-44.2	-178.7	-58.2	0	0	0	0	111.9	E526 R527 V528 S534	E526-T530 WeakPolarHBondContact O-CB 3.44Å; E526-T530 PolarHBondContact O-N 3.15Å; E526-T530 PolarHBondContact O-OG1 2.9Å; R527-T530 PolarHBondContact O-N 2.92Å; V528-T530 VanDerWaalsContact C-N 3.28Å; V528-T530 PolarHBondContact O-N 2.79Å; T530-S534 PolarHBondContact O-N 2.75Å; T530-S534 VanDerWaalsContact O-N 3.11Å
531	L	96.2	Very high	90.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-48.9	177.7	-68.8	168.5	0	0	0	111.1	V435 Q437 V440 L457 V460 R527 V528 S534 Y535 L631	V435-L531 HydrophobicContact CG1-CD2 3.61Å; Q437-L531 HydrophobicContact CB-CD2 3.77Å; V440-L531 HydrophobicContact CG1-CD1 4.49Å; V440-L531 HydrophobicContact CG1-CD2 4.29Å; V440-L531 HydrophobicContact CG2-CD2 4.42Å; L457-L531 HydrophobicContact CD1-CB 4.21Å; V460-L531 HydrophobicContact CB-CD1 4.37Å; V460-L531 HydrophobicContact CG1-CD1 3.78Å; V460-L531 HydrophobicContact CG2-CD1 3.79Å; R527-L531 HydrophobicContact CG-CD1 4.3Å; R527-L531 VanDerWaalsContact O-CG 3.27Å; R527-L531 WeakPolarHBondContact O-CG 3.47Å; R527-L531 PolarHBondContact O-N 2.88Å; V528-L531 PolarHBondContact O-N 3.06Å; L531-S534 PolarHBondContact O-N 3.09Å; L531-Y535 WeakPolarHBondContact O-CB 3.22Å; L531-Y535 PolarHBondContact O-N 3.33Å; L531-L631 HydrophobicContact CD1-CD2 4.46Å
532	L	94.9	Very high	90.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-72.3	-38.4	-178.5	-63.5	-169.1	0	0	0	112.4	V455 V528 S534 Y535 F536 L595 A597 L631 F659	V455-L532 HydrophobicContact CG1-CD2 4.26Å; V528-L532 HydrophobicContact CG1-CD1 3.89Å; V528-L532 HydrophobicContact CG1-CG 4.12Å; V528-L532 WeakPolarHBondContact O-CG 3.32Å; V528-L532 PolarHBondContact O-N 2.85Å; L532-S534 PolarHBondContact O-N 2.05Å; L532-Y535 PolarHBondContact O-N 3.16Å; L532-F536 HydrophobicContact CB-CD2 4.11Å; L532-F536 HydrophobicContact CD2-CD2 4.23Å; L532-F536 HydrophobicContact CD2-CE2 3.9Å; L532-F536 VanDerWaalsContact O-CB 3.31Å; L532-F536 WeakPolarHBondContact O-CB 3.49Å; L532-F536 PolarHBondContact O-N 3.41Å; L532-L595 HydrophobicContact CB-CD1 4.43Å; L532-A597 HydrophobicContact CD1-CB 3.5Å; L532-A597 VanDerWaalsContact CD1-CB 3.5Å; L532-L631 HydrophobicContact CD2-CD2 4.05Å; L532-L631 HydrophobicContact CG-CD2 4.36Å; L532-F659 HydrophobicContact CD1-CE2 4.05Å
533	H	92.8	Very high	90.4	Very high	64 Å²	64	41.1 Å²	41.1	30%	0.296	21%	0.214	S	C	.	.	H	α-helix	trans	-55.3	-42.2	173.4	-171.3	76.3	0	0	0	111.3	R529 R537 S538 P539 L542	R529-H533 WeakPolarHBondContact O-CB 3.22Å; R529-H533 PolarHBondContact O-N 2.84Å; H533-R537 PolarHBondContact O-N 3.17Å; H533-S538 WeakPolarHBondContact CA-OG 3.37Å; H533-S538 PolarHBondContact CE1-OG 3.38Å; H533-S538 VanDerWaalsContact CG-OG 3.26Å; H533-S538 PolarHBondContact ND1-OG 2.88Å; H533-S538 PolarHBondContact O-N 2.98Å; H533-S538 PolarHBondContact O-OG 3.45Å; H533-P539 PolarHBondContact CE1-O 3.31Å; H533-L542 HydrophobicContact CB-CD2 3.83Å; H533-L542 WeakPolarHBondContact ND1-CB 3.26Å
534	S	92.8	Very high	90.4	Very high	31 Å²	31	36.9 Å²	36.9	22%	0.217	19%	0.194	C	C	.	.	H	α-helix	trans	-76.2	-44.8	178.6	-164.7	0	0	0	0	113	G433 S434 T530 L531 L532 R537	G433-S534 WeakPolarHBondContact CA-O 3.16Å; S434-S534 CarbonylContact O-C 3.42Å; S434-S534 VanDerWaalsContact O-CB 3.25Å; S434-S534 WeakPolarHBondContact O-CB 3.43Å; S434-S534 PolarHBondContact O-OG 2.88Å; S434-S534 PolarHBondContact OG-OG 3.04Å; S434-S534 VanDerWaalsContact OG-OG 3.12Å; T530-S534 PolarHBondContact O-N 2.75Å; T530-S534 VanDerWaalsContact O-N 3.11Å; L531-S534 PolarHBondContact O-N 3.09Å; L532-S534 PolarHBondContact O-N 2.05Å; S534-R537 PolarHBondContact O-N 3.25Å
535	Y	94.3	Very high	90.2	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-67.6	-42.4	-177.2	179.6	-95.3	0	0	0	112.1	A431 G433 V435 I442 V455 L531 L532 R537	A431-Y535 HydrophobicContact CB-CE1 3.68Å; G433-Y535 VanDerWaalsContact CA-O 3.26Å; G433-Y535 WeakPolarHBondContact CA-O 3.39Å; G433-Y535 PolarHBondContact N-O 3.41Å; V435-Y535 HydrophobicContact CG2-CD2 4.22Å; I442-Y535 HydrophobicContact CD1-CD2 4.12Å; I442-Y535 HydrophobicContact CD1-CE2 3.72Å; I442-Y535 HydrophobicContact CG1-CD2 4.47Å; I442-Y535 HydrophobicContact CG1-CE2 4.16Å; V455-Y535 HydrophobicContact CB-CD1 3.97Å; V455-Y535 HydrophobicContact CB-CE1 3.38Å; V455-Y535 HydrophobicContact CB-CE2 4.45Å; V455-Y535 HydrophobicContact CG1-CD1 3.71Å; V455-Y535 HydrophobicContact CG1-CE1 3.67Å; V455-Y535 HydrophobicContact CG1-CG 4.4Å; V455-Y535 HydrophobicContact CG2-CD1 4.24Å; V455-Y535 HydrophobicContact CG2-CD2 4.38Å; V455-Y535 HydrophobicContact CG2-CE1 3.7Å; V455-Y535 HydrophobicContact CG2-CE2 3.82Å; V455-Y535 VanDerWaalsContact CG2-CZ 3.42Å; L531-Y535 WeakPolarHBondContact O-CB 3.22Å; L531-Y535 PolarHBondContact O-N 3.33Å; L532-Y535 PolarHBondContact O-N 3.16Å; Y535-R537 VanDerWaalsContact C-N 3.26Å; Y535-R537 PolarHBondContact O-N 2.91Å
536	F	92.4	Very high	90.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.6	180	-74.2	-57.8	0	0	0	113.9	F429 Y430 A431 N453 V455 L532 S538 L595	F429-F536 WeakPolarHBondContact CA-O 3.09Å; F429-F536 HydrophobicContact CB-CB 3.94Å; F429-F536 HydrophobicContact CB-CD1 4.33Å; F429-F536 HydrophobicContact CB-CG 4.35Å; F429-F536 HydrophobicContact CD1-CB 3.96Å; F429-F536 HydrophobicContact CG-CB 4.16Å; Y430-F536 PolarHBondContact N-O 3.46Å; Y430-F536 CarbonylContact O-C 3.57Å; Y430-F536 WeakPolarHBondContact O-CA 3.33Å; A431-F536 HydrophobicContact CB-CD1 4.27Å; A431-F536 HydrophobicContact CB-CE1 4.15Å; N453-F536 VanDerWaalsContact C-CE1 3.42Å; N453-F536 HydrophobicContact CB-CD1 4.39Å; N453-F536 HydrophobicContact CB-CE1 4.03Å; N453-F536 VanDerWaalsContact O-CE1 3.29Å; N453-F536 WeakPolarHBondContact O-CE1 3.32Å; N453-F536 WeakPolarHBondContact O-CZ 3.41Å; V455-F536 HydrophobicContact CG1-CE2 4.2Å; V455-F536 HydrophobicContact CG1-CZ 3.95Å; L532-F536 HydrophobicContact CB-CD2 4.11Å; L532-F536 HydrophobicContact CD2-CD2 4.23Å; L532-F536 HydrophobicContact CD2-CE2 3.9Å; L532-F536 VanDerWaalsContact O-CB 3.31Å; L532-F536 WeakPolarHBondContact O-CB 3.49Å; L532-F536 PolarHBondContact O-N 3.41Å; F536-S538 PolarHBondContact O-N 3.42Å; F536-L595 HydrophobicContact CB-CD1 4.37Å; F536-L595 HydrophobicContact CD2-CD1 3.88Å; F536-L595 HydrophobicContact CD2-CD2 3.75Å; F536-L595 HydrophobicContact CD2-CG 4.5Å; F536-L595 HydrophobicContact CE2-CD2 4Å; F536-L595 HydrophobicContact CG-CD1 4.43Å; F536-L595 HydrophobicContact CG-CD2 4.13Å
537	R	88.3	Confident	90.2	Very high	146 Å²	146	38 Å²	38	55%	0.551	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	41.5	176.9	-60.8	-179.8	-79.1	166.7	-13.2	112.4	Y430 A431 H533 S534 Y535	Y430-R537 VanDerWaalsContact CB-CZ 3.45Å; Y430-R537 VanDerWaalsContact CB-NH2 3.26Å; Y430-R537 PolarHBondContact O-NE 3.03Å; A431-R537 PolarHBondContact O-NE 3.25Å; A431-R537 PolarHBondContact O-NH2 2.98Å; H533-R537 PolarHBondContact O-N 3.17Å; S534-R537 PolarHBondContact O-N 3.25Å; Y535-R537 VanDerWaalsContact C-N 3.26Å; Y535-R537 PolarHBondContact O-N 2.91Å
538	S	79.1	Confident	90.2	Very high	15 Å²	15	36.4 Å²	36.4	11%	0.105	20%	0.195	C	C	.	.			trans	-66.6	156	-167.9	54.6	0	0	0	0	113.4	F429 H533 F536	F429-S538 VanDerWaalsContact CD1-CB 3.46Å; H533-S538 WeakPolarHBondContact CA-OG 3.37Å; H533-S538 PolarHBondContact CE1-OG 3.38Å; H533-S538 VanDerWaalsContact CG-OG 3.26Å; H533-S538 PolarHBondContact ND1-OG 2.88Å; H533-S538 PolarHBondContact O-N 2.98Å; H533-S538 PolarHBondContact O-OG 3.45Å; F536-S538 PolarHBondContact O-N 3.42Å
539	P	69.9	Low	90.2	Very high	61 Å²	61	36.4 Å²	36.4	40%	0.396	20%	0.195	S	C	.	.			trans	-58.1	168.9	174.2	-19.8	30.3	0	0	0	113.4	H533 G541 K661	H533-P539 PolarHBondContact CE1-O 3.31Å; P539-G541 PolarHBondContact O-N 3.38Å; P539-K661 HydrophobicContact CG-CD 4.17Å
540	S	64.8	Low	90.2	Very high	131 Å²	131	34.3 Å²	34.3	92%	0.916	19%	0.189	S	C	*	.	S	Bend	trans	-69.3	73.8	-179.7	59.5	0	0	0	0	112.7
541	G	77.8	Confident	90.3	Very high	16 Å²	16	31.2 Å²	31.2	17%	0.165	17%	0.17	C	C	.	.			trans	154.1	97.9	179	0	0	0	0	0	110.6	P539 K661	P539-G541 PolarHBondContact O-N 3.38Å; G541-K661 WeakPolarHBondContact O-CA 3.41Å
542	L	91.6	Very high	90.2	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.031	17%	0.174	C	C	.	.			trans	-128.8	108.5	169.5	-172.7	72.1	0	0	0	107.9	F429 R529 H533 L595 F659	F429-L542 HydrophobicContact CE1-CD1 4.19Å; F429-L542 HydrophobicContact CZ-CD1 4.16Å; R529-L542 WeakPolarHBondContact CD-O 3.38Å; R529-L542 HydrophobicContact CG-CD2 4.16Å; R529-L542 HydrophobicContact CG-CG 4.46Å; R529-L542 PolarHBondContact NH1-O 3.47Å; H533-L542 HydrophobicContact CB-CD2 3.83Å; H533-L542 WeakPolarHBondContact ND1-CB 3.26Å; L542-L595 HydrophobicContact CD1-CD1 4Å; L542-L595 HydrophobicContact CD2-CD1 4.07Å; L542-F659 HydrophobicContact CD1-CB 3.62Å; L542-F659 HydrophobicContact CD1-CG 4.37Å; L542-F659 HydrophobicContact CD2-CD1 4.37Å; L542-F659 HydrophobicContact CG-CB 4.04Å; L542-F659 HydrophobicContact CG-CD1 4.26Å; L542-F659 HydrophobicContact CG-CG 4.37Å
543	F	94.1	Very high	90.2	Very high	64 Å²	64	33.1 Å²	33.1	28%	0.281	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141.2	-177.6	-54.8	-81.8	0	0	0	109.6	S545 F659 T660 K663 R666	F543-S545 PolarHBondContact O-N 2.92Å; F543-F659 CarbonylContact O-C 3.48Å; F543-F659 WeakPolarHBondContact O-CA 3.42Å; F543-F659 WeakPolarHBondContact O-CB 3.49Å; F543-T660 HydrophobicContact CB-CG2 4.1Å; F543-T660 PolarHBondContact N-O 2.85Å; F543-T660 PolarHBondContact O-N 3.46Å; F543-K663 HydrophobicContact CD2-CB 4.27Å; F543-K663 HydrophobicContact CE1-CB 4.35Å; F543-K663 HydrophobicContact CE1-CG 4.08Å; F543-K663 HydrophobicContact CE2-CB 3.78Å; F543-K663 HydrophobicContact CE2-CG 4.41Å; F543-K663 HydrophobicContact CZ-CB 3.82Å; F543-K663 HydrophobicContact CZ-CD 4.39Å; F543-K663 HydrophobicContact CZ-CG 4.01Å; F543-R666 HydrophobicContact CB-CB 3.92Å; F543-R666 HydrophobicContact CG-CB 4.43Å
544	I	96.1	Very high	90.2	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.1	167.7	-67.5	160	0	0	0	106.9	R529 T547 F659 R666 D667	R529-I544 HydrophobicContact CB-CD1 4.43Å; R529-I544 HydrophobicContact CB-CG1 4.45Å; R529-I544 HydrophobicContact CG-CG1 4.41Å; I544-T547 VanDerWaalsContact CG2-OG1 3.29Å; I544-T547 WeakPolarHBondContact CG2-OG1 3.42Å; I544-F659 HydrophobicContact CB-CD1 4.5Å; I544-F659 HydrophobicContact CD1-CE1 4.49Å; I544-F659 HydrophobicContact CG1-CD1 3.83Å; I544-F659 HydrophobicContact CG1-CE1 3.52Å; I544-R666 WeakPolarHBondContact O-CA 3.46Å; I544-D667 HydrophobicContact CG2-CB 4.33Å; I544-D667 WeakPolarHBondContact O-CB 3.22Å; I544-D667 PolarHBondContact O-N 3.07Å
545	S	94.6	Very high	89.9	Confident	15 Å²	15	31.4 Å²	31.4	11%	0.105	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-36.7	177	-179.5	0	0	0	0	111.4	F543 H592 W658 Y665 D667	F543-S545 PolarHBondContact O-N 2.92Å; S545-H592 PolarHBondContact OG-NE2 3.41Å; S545-W658 PolarHBondContact N-O 3.25Å; S545-Y665 WeakPolarHBondContact CA-O 3.42Å; S545-Y665 WeakPolarHBondContact CB-O 3.26Å; S545-Y665 PolarHBondContact OG-O 2.85Å; S545-D667 WeakPolarHBondContact O-CA 3.46Å; S545-D667 WeakPolarHBondContact O-CB 3.4Å
546	F	95.4	Very high	89.3	Confident	60 Å²	60	38.1 Å²	38.1	26%	0.263	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	142.5	175.4	-171	-125.6	0	0	0	111.4	T500 H548 W658	T500-F546 HydrophobicContact CG2-CE2 4.35Å; T500-F546 HydrophobicContact CG2-CZ 4.3Å; F546-H548 HydrophobicContact CD1-CB 4.31Å; F546-H548 HydrophobicContact CE1-CB 3.69Å; F546-H548 AromaticContact CE1-ND1 4Å; F546-H548 HydrophobicContact CZ-CB 4.18Å; F546-W658 HydrophobicContact CB-CE3 4.04Å; F546-W658 AromaticContact CD1-CE3 3.69Å; F546-W658 HydrophobicContact CD1-CE3 3.69Å; F546-W658 AromaticContact CD1-CZ3 3.5Å; F546-W658 HydrophobicContact CD1-CZ3 3.5Å; F546-W658 VanDerWaalsContact CD1-CZ3 3.5Å; F546-W658 HydrophobicContact CE1-CZ3 4.11Å; F546-W658 HydrophobicContact CG-CE3 4.33Å; F546-W658 PolarHBondContact N-O 3.49Å; F546-W658 PolarHBondContact O-N 2.85Å
547	T	95.3	Very high	88	Confident	2 Å²	2	42 Å²	42	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.6	173.2	-55.9	0	0	0	0	110.9	I501 I544 L655 L657 D667	I501-T547 HydrophobicContact CD1-CG2 3.89Å; I501-T547 HydrophobicContact CG1-CG2 4.09Å; I544-T547 VanDerWaalsContact CG2-OG1 3.29Å; I544-T547 WeakPolarHBondContact CG2-OG1 3.42Å; T547-L655 HydrophobicContact CG2-CD1 3.55Å; T547-L655 HydrophobicContact CG2-CD2 4.34Å; T547-L655 HydrophobicContact CG2-CG 4.07Å; T547-L657 HydrophobicContact CG2-CD2 3.62Å; T547-L657 HydrophobicContact CG2-CG 4.43Å; T547-L657 VanDerWaalsContact OG1-CD2 3.3Å; T547-L657 WeakPolarHBondContact OG1-CD2 2.93Å; T547-D667 PolarHBondContact N-OD2 2.87Å
548	H	95.5	Very high	87	Confident	11 Å²	11	40.9 Å²	40.9	5%	0.051	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	114.6	-179.7	-163.2	178.6	0	0	0	111.3	D481 F496 G498 F546 V550 A656 W658	D481-H548 IonicContact OD2-NE2 3.48Å; F496-H548 AromaticContact CE1-CE1 3.87Å; F496-H548 AromaticContact CZ-CE1 3.59Å; G498-H548 WeakPolarHBondContact CA-NE2 3.2Å; F546-H548 HydrophobicContact CD1-CB 4.31Å; F546-H548 HydrophobicContact CE1-CB 3.69Å; F546-H548 AromaticContact CE1-ND1 4Å; F546-H548 HydrophobicContact CZ-CB 4.18Å; H548-V550 HydrophobicContact CB-CG1 4.14Å; H548-V550 PolarHBondContact O-N 3.44Å; H548-A656 PolarHBondContact N-O 2.94Å; H548-A656 PolarHBondContact O-N 2.88Å; H548-W658 HydrophobicContact CB-CZ3 4.24Å
549	L	97.4	Very high	87	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	120.6	166.5	-179.3	146.9	0	0	0	108	I469 A473 G498 L499 L521 L601 L655	I469-L549 HydrophobicContact CG2-CD1 3.31Å; A473-L549 HydrophobicContact CB-CD1 4.27Å; A473-L549 HydrophobicContact CB-CD2 3.43Å; A473-L549 VanDerWaalsContact CB-CD2 3.43Å; A473-L549 HydrophobicContact CB-CG 4.48Å; G498-L549 CarbonylContact C-O 3.56Å; G498-L549 WeakPolarHBondContact CA-O 3.28Å; L499-L549 HydrophobicContact CB-CB 4.26Å; L499-L549 HydrophobicContact CB-CD2 4.24Å; L499-L549 PolarHBondContact N-O 3.04Å; L499-L549 PolarHBondContact O-N 2.92Å; L521-L549 HydrophobicContact CD1-CB 4.32Å; L521-L549 HydrophobicContact CD1-CD1 3.93Å; L549-L601 HydrophobicContact CD1-CD1 4.01Å; L549-L601 HydrophobicContact CG-CD1 4.39Å; L549-L655 HydrophobicContact CB-CD1 3.95Å
550	V	96.4	Very high	87.2	Confident	18 Å²	18	48.4 Å²	48.4	11%	0.109	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.4	-174	-65.6	0	0	0	0	111.1	F496 E497 H548 C653 A654 A656	F496-V550 HydrophobicContact CZ-CB 4.46Å; F496-V550 HydrophobicContact CZ-CG1 3.8Å; E497-V550 WeakPolarHBondContact O-CA 3.4Å; H548-V550 HydrophobicContact CB-CG1 4.14Å; H548-V550 PolarHBondContact O-N 3.44Å; V550-C653 CarbonylContact O-C 3.51Å; V550-C653 VanDerWaalsContact O-CA 3.31Å; V550-C653 WeakPolarHBondContact O-CA 3.48Å; V550-A654 WeakPolarHBondContact CG2-O 3.48Å; V550-A654 PolarHBondContact N-O 3.07Å; V550-A654 PolarHBondContact O-N 3.37Å; V550-A656 HydrophobicContact CG2-CB 4.44Å
551	C	97.1	Very high	87.4	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.6	170.7	-64.8	0	0	0	0	111	E497 R651 R652 C653	E497-C551 HydrophobicContact CB-CB 4.24Å; E497-C551 PolarHBondContact N-O 3.28Å; E497-C551 PolarHBondContact O-N 3.34Å; C551-R651 HydrophobicContact CB-CG 4.26Å; C551-R652 CarbonylContact C-O 3.55Å; C551-R652 VanDerWaalsContact CA-O 3.24Å; C551-R652 WeakPolarHBondContact CA-O 3.3Å; C551-C653 HydrophobicContact CB-CB 4.21Å; C551-C653 WeakPolarHBondContact CB-SG 3.32Å; C551-C653 WeakPolarHBondContact SG-CB 3.42Å; C551-C653 CovalentContact SG-SG 2.05Å; C551-C653 PolarHBondContact SG-SG 3.4Å
552	R	94.9	Very high	87.4	Confident	20 Å²	20	46.6 Å²	46.6	8%	0.075	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.3	174.9	-69.1	-71.2	-175.8	-75.6	-5.9	108.8	H490 T495 V647 R651 R652	H490-R552 PolarHBondContact NE2-NH2 2.88Å; T495-R552 VanDerWaalsContact O-CA 3.29Å; T495-R552 WeakPolarHBondContact O-CA 3.48Å; R552-V647 HydrophobicContact CB-CG2 4.17Å; R552-R651 CarbonylContact O-C 3.57Å; R552-R651 VanDerWaalsContact O-CA 3.3Å; R552-R651 WeakPolarHBondContact O-CA 3.46Å; R552-R652 PolarHBondContact N-O 3.18Å; R552-R652 PolarHBondContact O-N 2.96Å
553	S	94.4	Very high	86.5	Confident	22 Å²	22	54.6 Å²	54.6	15%	0.154	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.8	176.3	-54.1	0	0	0	0	110.3	E494 T495 A555 R651	E494-S553 CarbonylContact C-O 3.57Å; E494-S553 WeakPolarHBondContact CA-O 3.43Å; T495-S553 PolarHBondContact N-O 3.29Å; T495-S553 PolarHBondContact O-N 3.48Å; T495-S553 WeakPolarHBondContact OG1-CB 3.36Å; S553-A555 PolarHBondContact O-N 3.49Å; S553-R651 WeakPolarHBondContact OG-CD 3.49Å; S553-R651 WeakPolarHBondContact OG-CG 3.4Å
554	A	92.3	Very high	85.9	Confident	25 Å²	25	53.6 Å²	53.6	21%	0.207	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	131.2	174.5	0	0	0	0	0	110.8	V647 G650	A554-V647 HydrophobicContact CB-CG1 4.37Å; A554-G650 PolarHBondContact N-O 3.05Å
555	A	86.6	Confident	85.5	Confident	33 Å²	33	55.8 Å²	55.8	27%	0.273	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-70.6	149.8	173	0	0	0	0	0	111.1	H493 S553 Q559	H493-A555 WeakPolarHBondContact O-CB 3.34Å; H493-A555 PolarHBondContact O-N 3.1Å; S553-A555 PolarHBondContact O-N 3.49Å; A555-Q559 PolarHBondContact O-NE2 3.41Å
556	T	80.6	Confident	85.3	Confident	144 Å²	144	55.2 Å²	55.2	88%	0.883	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	131.8	-179.8	41.3	0	0	0	0	112.1
557	G	65.9	Low	85	Confident	81 Å²	81	54.4 Å²	54.4	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	-4.1	162.3	0	0	0	0	0	118.4
558	E	66.4	Low	84.7	Confident	123 Å²	123	56.1 Å²	56.1	58%	0.575	33%	0.333	S	S	*	.			trans	-141.7	56.1	-174.4	-63.6	-176.8	178.3	0	0	112.6	H493 R562	H493-E558 IonicContact CE1-OE2 2.93Å; H493-E558 PolarHBondContact CE1-OE2 3.2Å; H493-E558 VanDerWaalsContact CE1-OE2 3.29Å; H493-E558 PolarHBondContact ND1-O 3.4Å; H493-E558 IonicContact ND1-OE2 3.86Å; H493-E558 PolarHBondContact ND1-OE2 2.99Å; E558-R562 WeakPolarHBondContact O-CD 3.49Å
559	Q	79.8	Confident	84.6	Confident	36 Å²	36	57.2 Å²	57.2	17%	0.168	34%	0.341	C	S	.	.			trans	-115.3	-12	-172.4	-61.5	-61.8	-22	0	0	114.4	H493 A555 R562 V647 T648	H493-Q559 PolarHBondContact O-NE2 3Å; H493-Q559 VanDerWaalsContact O-NE2 3.11Å; A555-Q559 PolarHBondContact O-NE2 3.41Å; Q559-R562 WeakPolarHBondContact O-CG 3.42Å; Q559-V647 PolarHBondContact OE1-O 2.98Å; Q559-T648 VanDerWaalsContact CG-O 3.3Å; Q559-T648 WeakPolarHBondContact CG-O 3.36Å
560	E	74.6	Confident	84.3	Confident	198 Å²	198	59.5 Å²	59.5	93%	0.925	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	127.7	-172.8	-157.4	167.2	-163.4	0	0	111.1	R562	E560-R562 PolarHBondContact O-N 3.38Å
561	G	68.9	Low	84.1	Confident	74 Å²	74	59.1 Å²	59.1	76%	0.763	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	16.7	176.9	0	0	0	0	0	116.3
562	R	76.8	Confident	83.9	Confident	35 Å²	35	59.7 Å²	59.7	13%	0.132	35%	0.352	C	S	.	.			trans	-60.2	134.9	178.9	-60.2	-122.4	-36.9	-113.2	7.9	111.9	H493 E494 E558 Q559 E560 D564 V647	H493-R562 VanDerWaalsContact CD2-CD 3.42Å; H493-R562 WeakPolarHBondContact CD2-CD 3.26Å; H493-R562 PolarHBondContact CD2-NE 3.41Å; E494-R562 IonicContact OE1-CZ 2.96Å; E494-R562 IonicContact OE1-NH1 2.7Å; E494-R562 IonicContact OE1-NH2 3.74Å; E494-R562 PolarHBondContact OE1-NH2 3.06Å; E558-R562 WeakPolarHBondContact O-CD 3.49Å; Q559-R562 WeakPolarHBondContact O-CG 3.42Å; E560-R562 PolarHBondContact O-N 3.38Å; R562-D564 WeakPolarHBondContact CB-OD1 3.39Å; R562-D564 WeakPolarHBondContact CD-OD1 3.32Å; R562-D564 IonicContact CZ-OD1 2.78Å; R562-D564 IonicContact CZ-OD2 3.16Å; R562-D564 IonicContact NE-OD1 2.72Å; R562-D564 PolarHBondContact NE-OD1 2.99Å; R562-D564 IonicContact NE-OD2 2.98Å; R562-D564 PolarHBondContact NE-OD2 3.16Å; R562-D564 IonicContact NH2-OD1 3.98Å; R562-D564 IonicContact NH2-OD2 2.75Å; R562-D564 PolarHBondContact NH2-OD2 2.76Å; R562-V647 PolarHBondContact NH1-O 3.25Å
563	M	73.6	Confident	83.7	Confident	175 Å²	175	59 Å²	59	86%	0.862	35%	0.35	S	S	*	.			trans	-117.5	-3.7	173.3	-63.4	-62.5	-65.2	0	0	112.8
564	D	81.3	Confident	83.4	Confident	42 Å²	42	58.2 Å²	58.2	23%	0.225	34%	0.344	C	S	.	.	S	Bend	trans	-75.5	163	175.4	64.6	-58.3	0	0	0	112	T491 H493 R562	T491-D564 VanDerWaalsContact CB-OD2 3.3Å; T491-D564 WeakPolarHBondContact CB-OD2 3.19Å; T491-D564 PolarHBondContact OG1-OD2 3.31Å; H493-D564 IonicContact CD2-OD1 2.7Å; H493-D564 IonicContact CD2-OD2 3.6Å; R562-D564 WeakPolarHBondContact CB-OD1 3.39Å; R562-D564 WeakPolarHBondContact CD-OD1 3.32Å; R562-D564 IonicContact CZ-OD1 2.78Å; R562-D564 IonicContact CZ-OD2 3.16Å; R562-D564 IonicContact NE-OD1 2.72Å; R562-D564 PolarHBondContact NE-OD1 2.99Å; R562-D564 IonicContact NE-OD2 2.98Å; R562-D564 PolarHBondContact NE-OD2 3.16Å; R562-D564 IonicContact NH2-OD1 3.98Å; R562-D564 IonicContact NH2-OD2 2.75Å; R562-D564 PolarHBondContact NH2-OD2 2.76Å
565	L	88.6	Confident	83	Confident	57 Å²	57	59.3 Å²	59.3	30%	0.298	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.9	-179.2	-61.2	177.6	0	0	0	110.9	H567 V569 F611 V644	L565-H567 VanDerWaalsContact C-N 3.25Å; L565-H567 WeakPolarHBondContact CB-O 3.46Å; L565-V569 HydrophobicContact CD1-CG2 4.22Å; L565-F611 HydrophobicContact CD1-CE1 4.4Å; L565-F611 HydrophobicContact CD1-CZ 3.85Å; L565-F611 HydrophobicContact CD2-CE1 3.8Å; L565-F611 HydrophobicContact CD2-CZ 3.89Å; L565-V644 CarbonylContact C-O 3.43Å; L565-V644 WeakPolarHBondContact CB-O 3.41Å
566	S	89.2	Confident	82.9	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-35.9	170.1	-179.2	0	0	0	0	110.8	E494 V644 T645	E494-S566 WeakPolarHBondContact OE1-CB 3.44Å; E494-S566 VanDerWaalsContact OE2-CB 3.25Å; E494-S566 WeakPolarHBondContact OE2-CB 3.05Å; E494-S566 PolarHBondContact OE2-OG 3.33Å; S566-V644 PolarHBondContact N-O 3.31Å; S566-T645 VanDerWaalsContact CB-O 3.22Å; S566-T645 WeakPolarHBondContact CB-O 3.37Å
567	H	89.9	Confident	82.8	Confident	43 Å²	43	53.4 Å²	53.4	20%	0.199	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	126.4	168.9	-160.9	-70.4	0	0	0	109.5	H490 L565 H570 V644	H490-H567 AromaticContact CE1-CD2 3.47Å; H490-H567 PolarHBondContact CE1-CD2 3.37Å; H490-H567 VanDerWaalsContact CE1-CD2 3.47Å; H490-H567 AromaticContact CE1-NE2 3.41Å; H490-H567 PolarHBondContact CE1-NE2 3Å; H490-H567 AromaticContact NE2-CD2 3.55Å; H490-H567 AromaticContact NE2-NE2 3.94Å; L565-H567 VanDerWaalsContact C-N 3.25Å; L565-H567 WeakPolarHBondContact CB-O 3.46Å; H567-H570 AromaticContact CE1-CD2 3.92Å; H567-H570 AromaticContact CE1-CE1 3.19Å; H567-H570 PolarHBondContact CE1-CE1 3.28Å; H567-H570 AromaticContact CE1-CG 3.89Å; H567-H570 AromaticContact CE1-ND1 3.43Å; H567-H570 PolarHBondContact CE1-ND1 3.4Å; H567-H570 AromaticContact CE1-NE2 3.45Å; H567-H570 PolarHBondContact CE1-NE2 3.27Å; H567-H570 AromaticContact ND1-CE1 3.31Å; H567-H570 PolarHBondContact ND1-CE1 3.07Å; H567-H570 VanDerWaalsContact ND1-CE1 3.31Å; H567-H570 AromaticContact ND1-ND1 3.38Å; H567-H570 PolarHBondContact ND1-ND1 3.46Å; H567-V644 HydrophobicContact CB-CB 3.9Å; H567-V644 HydrophobicContact CB-CG2 3.96Å; H567-V644 PolarHBondContact N-O 3.46Å; H567-V644 PolarHBondContact O-N 2.98Å
568	P	89.4	Confident	83.3	Confident	37 Å²	37	51.4 Å²	51.4	24%	0.24	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	160.5	-179.3	26.7	-33.4	0	0	0	111.8	H570	P568-H570 PolarHBondContact O-N 3.24Å; P568-H570 PolarHBondContact O-ND1 3.47Å; P568-H570 VanDerWaalsContact O-ND1 3.1Å
569	V	92.1	Very high	83.4	Confident	35 Å²	35	50.2 Å²	50.2	21%	0.212	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	130	173	-178.7	0	0	0	0	109.2	L565 F611 T613 A617 P641 H642	L565-V569 HydrophobicContact CD1-CG2 4.22Å; V569-F611 HydrophobicContact CG2-CE2 3.68Å; V569-F611 HydrophobicContact CG2-CZ 3.77Å; V569-T613 HydrophobicContact CG1-CG2 4.43Å; V569-T613 HydrophobicContact CG2-CG2 4.15Å; V569-A617 HydrophobicContact CB-CB 4.15Å; V569-A617 HydrophobicContact CG1-CB 3.78Å; V569-P641 HydrophobicContact CG1-CB 4.18Å; V569-H642 VanDerWaalsContact CA-O 3.29Å; V569-H642 WeakPolarHBondContact CA-O 3.45Å
570	H	91.5	Very high	82.7	Confident	47 Å²	47	50 Å²	50	22%	0.218	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	170.8	-179.8	67.4	-56.8	0	0	0	110.6	H567 P568 D572 P641 H642	H567-H570 AromaticContact CE1-CD2 3.92Å; H567-H570 AromaticContact CE1-CE1 3.19Å; H567-H570 PolarHBondContact CE1-CE1 3.28Å; H567-H570 AromaticContact CE1-CG 3.89Å; H567-H570 AromaticContact CE1-ND1 3.43Å; H567-H570 PolarHBondContact CE1-ND1 3.4Å; H567-H570 AromaticContact CE1-NE2 3.45Å; H567-H570 PolarHBondContact CE1-NE2 3.27Å; H567-H570 AromaticContact ND1-CE1 3.31Å; H567-H570 PolarHBondContact ND1-CE1 3.07Å; H567-H570 VanDerWaalsContact ND1-CE1 3.31Å; H567-H570 AromaticContact ND1-ND1 3.38Å; H567-H570 PolarHBondContact ND1-ND1 3.46Å; P568-H570 PolarHBondContact O-N 3.24Å; P568-H570 PolarHBondContact O-ND1 3.47Å; P568-H570 VanDerWaalsContact O-ND1 3.1Å; H570-D572 IonicContact NE2-OD1 3.38Å; H570-P641 WeakPolarHBondContact O-CA 3.35Å; H570-H642 AromaticContact CE1-CD2 3.73Å; H570-H642 AromaticContact CE1-CE1 3.74Å; H570-H642 AromaticContact CE1-NE2 3.2Å; H570-H642 PolarHBondContact CE1-NE2 3.17Å; H570-H642 PolarHBondContact N-O 3.39Å; H570-H642 PolarHBondContact ND1-O 3.41Å; H570-H642 VanDerWaalsContact ND1-O 3.1Å; H570-H642 AromaticContact NE2-CE1 3.91Å; H570-H642 AromaticContact NE2-NE2 3.6Å; H570-H642 PolarHBondContact O-N 3.27Å
571	V	92.8	Very high	82.7	Confident	11 Å²	11	45.3 Å²	45.3	7%	0.067	25%	0.249	C	C	.	.			trans	-119.7	139.1	168	-178.1	0	0	0	0	107.4	N573 C574 L576 S636 G637 P641	V571-N573 PolarHBondContact O-N 2.93Å; V571-C574 WeakPolarHBondContact CG1-SG 3.35Å; V571-L576 HydrophobicContact CG2-CB 3.99Å; V571-L576 HydrophobicContact CG2-CD2 4.19Å; V571-L576 HydrophobicContact CG2-CG 4.47Å; V571-S636 WeakPolarHBondContact CG1-O 3.2Å; V571-G637 VanDerWaalsContact CG1-C 3.4Å; V571-G637 VanDerWaalsContact CG1-O 3.29Å; V571-G637 WeakPolarHBondContact CG1-O 3.32Å; V571-P641 HydrophobicContact CG2-CB 4.05Å; V571-P641 HydrophobicContact CG2-CG 3.95Å
572	D	93	Very high	83.1	Confident	12 Å²	12	45 Å²	45	6%	0.064	23%	0.227	C	C	.	.	S	Bend	trans	-75.5	-23.9	-168.7	-96.6	-53.2	0	0	0	113.4	H570 R593 S596 S636 H642 W658	H570-D572 IonicContact NE2-OD1 3.38Å; D572-R593 IonicContact OD1-NH1 3.46Å; D572-R593 PolarHBondContact OD1-NH1 3.05Å; D572-S596 PolarHBondContact OD2-OG 2.68Å; D572-S636 PolarHBondContact N-O 3.12Å; D572-H642 IonicContact OD2-CE1 3.67Å; D572-H642 PolarHBondContact OD2-CE1 2.97Å; D572-H642 IonicContact OD2-NE2 3.81Å; D572-W658 VanDerWaalsContact CG-NE1 3.3Å; D572-W658 PolarHBondContact OD1-NE1 3.39Å; D572-W658 PolarHBondContact OD2-NE1 3.23Å
573	N	90.6	Very high	83.3	Confident	7 Å²	7	44 Å²	44	4%	0.037	23%	0.225	C	C	.	.	S	Bend	trans	-120.7	3.1	-175.9	77.4	3.3	0	0	0	115.7	V571 F590 I591 R593 S636 G637	V571-N573 PolarHBondContact O-N 2.93Å; N573-F590 WeakPolarHBondContact CA-O 3.3Å; N573-F590 WeakPolarHBondContact CB-O 3.29Å; N573-I591 WeakPolarHBondContact O-CA 3.39Å; N573-R593 HydrophobicContact CB-CB 4.13Å; N573-R593 VanDerWaalsContact CB-O 3.22Å; N573-R593 WeakPolarHBondContact CB-O 3.18Å; N573-R593 PolarHBondContact ND2-O 2.91Å; N573-S636 VanDerWaalsContact CG-O 3.25Å; N573-S636 PolarHBondContact N-O 3.05Å; N573-S636 PolarHBondContact OD1-O 3.02Å; N573-G637 WeakPolarHBondContact OD1-CA 3.31Å
574	C	88.3	Confident	83.5	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.027	19%	0.194	C	C	.	.	S	Bend	trans	-150.5	160	175.8	52.1	0	0	0	0	112.3	V571 L576 C583 W584 R585	V571-C574 WeakPolarHBondContact CG1-SG 3.35Å; C574-L576 PolarHBondContact O-N 3.14Å; C574-C583 HydrophobicContact CB-CB 3.91Å; C574-C583 WeakPolarHBondContact CB-SG 3.34Å; C574-C583 WeakPolarHBondContact SG-CB 3.23Å; C574-C583 CovalentContact SG-SG 2.01Å; C574-C583 PolarHBondContact SG-SG 3.49Å; C574-W584 CarbonylContact C-O 3.48Å; C574-W584 WeakPolarHBondContact CA-O 3.23Å; C574-W584 WeakPolarHBondContact CB-O 3.24Å; C574-R585 HydrophobicContact CB-CG 3.88Å
575	L	84.1	Confident	83.5	Confident	48 Å²	48	42.8 Å²	42.8	25%	0.251	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	102.5	174.5	-56.3	176.8	0	0	0	108.6	W584 E586 A589	L575-W584 HydrophobicContact CB-CB 4.36Å; L575-W584 PolarHBondContact N-O 2.85Å; L575-W584 PolarHBondContact O-N 2.79Å; L575-E586 HydrophobicContact CD1-CG 3.97Å; L575-A589 HydrophobicContact CD2-CB 4.03Å; L575-A589 HydrophobicContact CG-CB 4.09Å
576	L	83.9	Confident	82.9	Confident	34 Å²	34	40.7 Å²	40.7	18%	0.178	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.3	176.2	-178.3	66.6	0	0	0	110.5	V571 C574 P578 R615 A617 P641	V571-L576 HydrophobicContact CG2-CB 3.99Å; V571-L576 HydrophobicContact CG2-CD2 4.19Å; V571-L576 HydrophobicContact CG2-CG 4.47Å; C574-L576 PolarHBondContact O-N 3.14Å; L576-P578 WeakPolarHBondContact O-CD 3.39Å; L576-R615 HydrophobicContact CD1-CB 4.13Å; L576-R615 HydrophobicContact CD1-CG 4.34Å; L576-A617 HydrophobicContact CD2-CB 4.29Å; L576-P641 HydrophobicContact CD2-CB 3.96Å; L576-P641 HydrophobicContact CD2-CG 4.19Å
577	E	77.9	Confident	81.9	Confident	20 Å²	20	44.4 Å²	44.4	9%	0.093	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	100.9	170.8	-174.2	169.2	-109.7	0	0	109.4	R285 E579 T580 K581 Q582	R285-E577 VanDerWaalsContact CD-OE1 3.25Å; R285-E577 WeakPolarHBondContact CD-OE1 3.41Å; R285-E577 IonicContact CZ-OE1 3.68Å; R285-E577 IonicContact NE-OE1 2.71Å; R285-E577 IonicContact NH1-OE1 2.79Å; R285-E577 PolarHBondContact NH1-OE1 2.91Å; E577-E579 VanDerWaalsContact C-N 3.29Å; E577-E579 PolarHBondContact O-N 3.18Å; E577-T580 HydrophobicContact CG-CG2 4.4Å; E577-T580 WeakPolarHBondContact CG-OG1 3.37Å; E577-T580 PolarHBondContact O-N 3.22Å; E577-T580 WeakPolarHBondContact OE2-CB 3.22Å; E577-T580 WeakPolarHBondContact OE2-CG2 3.42Å; E577-T580 PolarHBondContact OE2-OG1 3.06Å; E577-K581 VanDerWaalsContact O-CA 3.29Å; E577-K581 WeakPolarHBondContact O-CA 3.27Å; E577-K581 PolarHBondContact O-N 3.03Å; E577-Q582 PolarHBondContact N-O 3.23Å; E577-Q582 PolarHBondContact O-N 2.57Å
578	P	75.9	Confident	81.1	Confident	39 Å²	39	45.9 Å²	45.9	25%	0.253	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.6	-170.9	-25.7	36.4	0	0	0	114.9	L576 R615 A617	L576-P578 WeakPolarHBondContact O-CD 3.39Å; P578-R615 WeakPolarHBondContact CA-O 3.25Å; P578-A617 HydrophobicContact CB-CB 4.11Å; P578-A617 HydrophobicContact CG-CB 3.87Å
579	E	68.3	Low	80.7	Confident	98 Å²	98	45 Å²	45	46%	0.458	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-43.8	-176.6	-64.6	70.8	-146.6	0	0	112.1	R285 E577	R285-E579 IonicContact NH1-OE2 2.71Å; E577-E579 VanDerWaalsContact C-N 3.29Å; E577-E579 PolarHBondContact O-N 3.18Å
580	T	66.8	Low	80.4	Confident	30 Å²	30	48.4 Å²	48.4	18%	0.184	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-11.4	178.2	61.2	0	0	0	0	112.2	E577 Q582	E577-T580 HydrophobicContact CG-CG2 4.4Å; E577-T580 WeakPolarHBondContact CG-OG1 3.37Å; E577-T580 PolarHBondContact O-N 3.22Å; E577-T580 WeakPolarHBondContact OE2-CB 3.22Å; E577-T580 WeakPolarHBondContact OE2-CG2 3.42Å; E577-T580 PolarHBondContact OE2-OG1 3.06Å; T580-Q582 PolarHBondContact O-N 3.39Å; T580-Q582 PolarHBondContact OG1-N 2.99Å
581	K	73.7	Confident	80.2	Confident	101 Å²	101	49.9 Å²	49.9	44%	0.439	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	23.4	-172.8	-54	179.5	-178.8	-175.6	0	113.2	E577 R615	E577-K581 VanDerWaalsContact O-CA 3.29Å; E577-K581 WeakPolarHBondContact O-CA 3.27Å; E577-K581 PolarHBondContact O-N 3.03Å; K581-R615 HydrophobicContact CB-CB 3.92Å; K581-R615 HydrophobicContact CG-CB 4.38Å; K581-R615 WeakPolarHBondContact O-CD 3.41Å; K581-R615 PolarHBondContact O-NH1 2.95Å
582	Q	76.7	Confident	79.9	Confident	66 Å²	66	50.8 Å²	50.8	31%	0.308	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	149.3	178.5	-69.1	177.9	-24	0	0	111.1	E577 T580 W584	E577-Q582 PolarHBondContact N-O 3.23Å; E577-Q582 PolarHBondContact O-N 2.57Å; T580-Q582 PolarHBondContact O-N 3.39Å; T580-Q582 PolarHBondContact OG1-N 2.99Å; Q582-W584 VanDerWaalsContact CB-NE1 3.34Å
583	C	80.8	Confident	79.9	Confident	14 Å²	14	51.2 Å²	51.2	10%	0.095	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.6	174.8	-148.4	0	0	0	0	111.8	E423 C574 P638	E423-C583 WeakPolarHBondContact OE1-CB 3.14Å; C574-C583 HydrophobicContact CB-CB 3.91Å; C574-C583 WeakPolarHBondContact CB-SG 3.34Å; C574-C583 WeakPolarHBondContact SG-CB 3.23Å; C574-C583 CovalentContact SG-SG 2.01Å; C574-C583 PolarHBondContact SG-SG 3.49Å; C583-P638 HydrophobicContact CB-CB 3.69Å
584	W	78.6	Confident	79.9	Confident	56 Å²	56	51.7 Å²	51.7	21%	0.212	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.5	-167.6	-63.8	88.5	0	0	0	111.9	R288 C574 L575 Q582 E586	R288-W584 VanDerWaalsContact CZ-CD1 3.5Å; R288-W584 VanDerWaalsContact NH1-CD2 3.25Å; R288-W584 VanDerWaalsContact NH2-CB 3.34Å; C574-W584 CarbonylContact C-O 3.48Å; C574-W584 WeakPolarHBondContact CA-O 3.23Å; C574-W584 WeakPolarHBondContact CB-O 3.24Å; L575-W584 HydrophobicContact CB-CB 4.36Å; L575-W584 PolarHBondContact N-O 2.85Å; L575-W584 PolarHBondContact O-N 2.79Å; Q582-W584 VanDerWaalsContact CB-NE1 3.34Å; W584-E586 VanDerWaalsContact C-N 3.27Å; W584-E586 HydrophobicContact CB-CG 4.37Å; W584-E586 PolarHBondContact O-N 3.41Å
585	R	80.6	Confident	80.2	Confident	137 Å²	137	51.5 Å²	51.5	52%	0.517	26%	0.256	S	S	.	.			trans	-82.1	70.1	179.1	-69	-176.7	179.4	175	4.3	111.3	C574 I591	C574-R585 HydrophobicContact CB-CG 3.88Å; R585-I591 VanDerWaalsContact C-CG2 3.43Å; R585-I591 HydrophobicContact CB-CG2 3.97Å
586	E	76.4	Confident	80.8	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.056	25%	0.245	C	C	.	.			trans	-137.2	156.8	176.7	64.1	-173.8	-157.3	0	0	111.8	R288 I289 S290 L575 W584 A589	R288-E586 IonicContact CZ-OE1 2.83Å; R288-E586 IonicContact NE-OE1 3.46Å; R288-E586 PolarHBondContact NE-OE1 3.23Å; R288-E586 IonicContact NH2-OE1 3.85Å; R288-E586 PolarHBondContact NH2-OE1 3.04Å; R288-E586 IonicContact NH2-OE2 3.19Å; R288-E586 PolarHBondContact NH2-OE2 2.98Å; I289-E586 PolarHBondContact N-OE1 3.48Å; S290-E586 WeakPolarHBondContact CB-OE2 3.37Å; S290-E586 PolarHBondContact N-OE2 2.93Å; S290-E586 PolarHBondContact OG-OE2 3.13Å; L575-E586 HydrophobicContact CD1-CG 3.97Å; W584-E586 VanDerWaalsContact C-N 3.27Å; W584-E586 HydrophobicContact CB-CG 4.37Å; W584-E586 PolarHBondContact O-N 3.41Å; E586-A589 VanDerWaalsContact O-CB 3.25Å; E586-A589 WeakPolarHBondContact O-CB 3.26Å; E586-A589 PolarHBondContact O-N 3.05Å
587	P	69.3	Low	81.5	Confident	82 Å²	82	47.7 Å²	47.7	53%	0.532	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	141.6	172.5	-25.2	34.9	0	0	0	111.2	I289	I289-P587 HydrophobicContact CD1-CB 4.18Å; I289-P587 WeakPolarHBondContact CD1-O 3.47Å
588	P	72.3	Confident	82.5	Confident	74 Å²	74	48 Å²	48	48%	0.481	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.5	13.1	9.7	36.4	-37	0	0	0	114.9
589	A	82	Confident	83.6	Confident	18 Å²	18	46.1 Å²	46.1	15%	0.149	23%	0.226	C	C	.	.	S	Bend	trans	-63.3	145.3	175.8	0	0	0	0	0	111.2	L575 E586 I591	L575-A589 HydrophobicContact CD2-CB 4.03Å; L575-A589 HydrophobicContact CG-CB 4.09Å; E586-A589 VanDerWaalsContact O-CB 3.25Å; E586-A589 WeakPolarHBondContact O-CB 3.26Å; E586-A589 PolarHBondContact O-N 3.05Å; A589-I591 HydrophobicContact CB-CG2 4.26Å; A589-I591 PolarHBondContact O-N 3.42Å
590	F	85.9	Confident	85	Confident	107 Å²	107	41.4 Å²	41.4	47%	0.469	21%	0.205	S	C	.	.			trans	-81.2	70.8	175.3	-62.3	-71.9	0	0	0	110	N573 H592 R593	N573-F590 WeakPolarHBondContact CA-O 3.3Å; N573-F590 WeakPolarHBondContact CB-O 3.29Å; F590-H592 AromaticContact CD1-CE1 3.86Å; F590-H592 PolarHBondContact O-N 3.32Å; F590-R593 HydrophobicContact CB-CG 3.82Å; F590-R593 WeakPolarHBondContact O-CB 3.46Å; F590-R593 PolarHBondContact O-N 3.24Å
591	I	87.1	Confident	86.5	Confident	78 Å²	78	40.1 Å²	40.1	40%	0.4	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.3	-172.1	65.3	173.6	0	0	0	114.9	N573 R585 A589	N573-I591 WeakPolarHBondContact O-CA 3.39Å; R585-I591 VanDerWaalsContact C-CG2 3.43Å; R585-I591 HydrophobicContact CB-CG2 3.97Å; A589-I591 HydrophobicContact CB-CG2 4.26Å; A589-I591 PolarHBondContact O-N 3.42Å
592	H	86.6	Confident	87.6	Confident	29 Å²	29	35.8 Å²	35.8	13%	0.134	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.5	178.5	61.6	-94.4	0	0	0	114	S545 F590 T660 Y665	S545-H592 PolarHBondContact OG-NE2 3.41Å; F590-H592 AromaticContact CD1-CE1 3.86Å; F590-H592 PolarHBondContact O-N 3.32Å; H592-T660 WeakPolarHBondContact O-CB 3.1Å; H592-T660 PolarHBondContact O-OG1 3.32Å; H592-Y665 HydrophobicContact CB-CD1 4.12Å; H592-Y665 HydrophobicContact CB-CD2 3.45Å; H592-Y665 VanDerWaalsContact CB-CD2 3.45Å; H592-Y665 HydrophobicContact CB-CE1 4.39Å; H592-Y665 HydrophobicContact CB-CE2 3.77Å; H592-Y665 HydrophobicContact CB-CG 3.65Å; H592-Y665 AromaticContact CD2-CG 3.82Å; H592-Y665 AromaticContact CG-CD1 3.72Å; H592-Y665 AromaticContact CG-CD2 3.94Å; H592-Y665 AromaticContact CG-CG 3.56Å; H592-Y665 AromaticContact ND1-CD1 3.71Å; H592-Y665 AromaticContact ND1-CE1 3.97Å
593	R	92	Very high	88.6	Confident	21 Å²	21	37.2 Å²	37.2	8%	0.079	19%	0.188	C	C	.	.			trans	-77.8	128.3	178	-70.3	180	177	-175.3	-3.3	110	D572 N573 F590 S636 W658	D572-R593 IonicContact OD1-NH1 3.46Å; D572-R593 PolarHBondContact OD1-NH1 3.05Å; N573-R593 HydrophobicContact CB-CB 4.13Å; N573-R593 VanDerWaalsContact CB-O 3.22Å; N573-R593 WeakPolarHBondContact CB-O 3.18Å; N573-R593 PolarHBondContact ND2-O 2.91Å; F590-R593 HydrophobicContact CB-CG 3.82Å; F590-R593 WeakPolarHBondContact O-CB 3.46Å; F590-R593 PolarHBondContact O-N 3.24Å; R593-S636 WeakPolarHBondContact O-CB 3.46Å; R593-W658 VanDerWaalsContact CD-CD1 3.49Å; R593-W658 HydrophobicContact CG-CB 4.24Å
594	D	90.9	Very high	89.3	Confident	17 Å²	17	42.3 Å²	42.3	9%	0.091	21%	0.214	C	C	.	.			trans	-113.8	-46	-172.6	-76.7	-60.3	0	0	0	111.7	F429 S636 F659 T660 K661	F429-D594 HydrophobicContact CE2-CB 3.65Å; F429-D594 WeakPolarHBondContact CE2-O 3.41Å; F429-D594 HydrophobicContact CZ-CB 3.79Å; D594-S636 PolarHBondContact O-N 3.43Å; D594-F659 PolarHBondContact N-O 3.06Å; D594-T660 WeakPolarHBondContact OD2-CA 3.39Å; D594-K661 HydrophobicContact CB-CG 4.39Å; D594-K661 WeakPolarHBondContact OD1-CE 3.33Å; D594-K661 IonicContact OD1-NZ 3.41Å; D594-K661 PolarHBondContact OD1-NZ 3.45Å; D594-K661 WeakPolarHBondContact OD2-CG 3.37Å; D594-K661 PolarHBondContact OD2-N 3.38Å
595	L	94.6	Very high	90.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.1	171.1	-69.8	172.9	0	0	0	110.7	F429 L532 F536 L542 S636 F659	F429-L595 HydrophobicContact CB-CD2 4.42Å; F429-L595 HydrophobicContact CD1-CD1 3.91Å; F429-L595 HydrophobicContact CD1-CD2 4.23Å; F429-L595 HydrophobicContact CD1-CG 4.14Å; F429-L595 HydrophobicContact CD2-CD1 4.31Å; F429-L595 HydrophobicContact CD2-CD2 3.36Å; F429-L595 HydrophobicContact CD2-CG 3.64Å; F429-L595 HydrophobicContact CE1-CD1 3.65Å; F429-L595 HydrophobicContact CE1-CD2 4.43Å; F429-L595 HydrophobicContact CE1-CG 3.86Å; F429-L595 HydrophobicContact CE2-CD1 4.19Å; F429-L595 HydrophobicContact CE2-CD2 3.73Å; F429-L595 HydrophobicContact CE2-CG 3.45Å; F429-L595 VanDerWaalsContact CE2-CG 3.45Å; F429-L595 HydrophobicContact CG-CD1 4.27Å; F429-L595 HydrophobicContact CG-CD2 3.74Å; F429-L595 HydrophobicContact CG-CG 4.07Å; F429-L595 HydrophobicContact CZ-CD1 3.86Å; F429-L595 HydrophobicContact CZ-CD2 4.25Å; F429-L595 HydrophobicContact CZ-CG 3.56Å; L532-L595 HydrophobicContact CB-CD1 4.43Å; F536-L595 HydrophobicContact CB-CD1 4.37Å; F536-L595 HydrophobicContact CD2-CD1 3.88Å; F536-L595 HydrophobicContact CD2-CD2 3.75Å; F536-L595 HydrophobicContact CD2-CG 4.5Å; F536-L595 HydrophobicContact CE2-CD2 4Å; F536-L595 HydrophobicContact CG-CD1 4.43Å; F536-L595 HydrophobicContact CG-CD2 4.13Å; L542-L595 HydrophobicContact CD1-CD1 4Å; L542-L595 HydrophobicContact CD2-CD1 4.07Å; L595-S636 WeakPolarHBondContact CA-OG 3.34Å; L595-S636 PolarHBondContact N-OG 3.24Å; L595-S636 PolarHBondContact O-OG 3.07Å; L595-F659 HydrophobicContact CB-CB 4.13Å; L595-F659 HydrophobicContact CB-CD2 3.91Å; L595-F659 HydrophobicContact CB-CG 4.4Å; L595-F659 PolarHBondContact N-O 2.93Å; L595-F659 PolarHBondContact O-N 2.71Å
596	S	97.4	Very high	90.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.2	174.9	-65.4	0	0	0	0	110	D572 G633 F634 S636 L657	D572-S596 PolarHBondContact OD2-OG 2.68Å; S596-G633 WeakPolarHBondContact O-CA 3.05Å; S596-F634 PolarHBondContact N-O 3.46Å; S596-F634 PolarHBondContact O-N 3.44Å; S596-F634 VanDerWaalsContact O-O 3.13Å; S596-S636 PolarHBondContact N-OG 3.04Å; S596-S636 PolarHBondContact OG-OG 3.3Å; S596-L657 CarbonylContact C-O 3.48Å; S596-L657 WeakPolarHBondContact CA-O 3.34Å
597	A	98.3	Very high	91.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	144.3	179.2	0	0	0	0	0	113.3	V528 L532 L631 V632 L657 F659	V528-A597 HydrophobicContact CG1-CB 3.88Å; L532-A597 HydrophobicContact CD1-CB 3.5Å; L532-A597 VanDerWaalsContact CD1-CB 3.5Å; A597-L631 HydrophobicContact CB-CD1 3.97Å; A597-V632 CarbonylContact C-O 3.46Å; A597-V632 WeakPolarHBondContact CA-O 3.48Å; A597-L657 HydrophobicContact CB-CB 4.22Å; A597-L657 PolarHBondContact N-O 2.97Å; A597-L657 PolarHBondContact O-N 3.4Å; A597-F659 HydrophobicContact CB-CE2 3.96Å
598	I	98.5	Very high	92.7	Very high	26 Å²	26	33.8 Å²	33.8	13%	0.133	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.2	177.3	-52.9	-64.3	0	0	0	108.4	Y600 L610 L631 V632 A654 L655 A656	I598-Y600 HydrophobicContact CG2-CD1 4.15Å; I598-Y600 HydrophobicContact CG2-CE1 3.54Å; I598-Y600 HydrophobicContact CG2-CE2 4.4Å; I598-L610 HydrophobicContact CG1-CD1 4.15Å; I598-L631 WeakPolarHBondContact O-CA 3.31Å; I598-V632 PolarHBondContact N-O 3.04Å; I598-V632 PolarHBondContact O-N 3.11Å; I598-A654 HydrophobicContact CG2-CB 3.8Å; I598-L655 WeakPolarHBondContact CA-O 3.28Å; I598-A656 HydrophobicContact CD1-CB 3.81Å
599	L	98.6	Very high	93.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.1	175.1	178.2	62.5	0	0	0	110.1	V460 M461 L524 V528 L631 A654 L655	V460-L599 HydrophobicContact CB-CD1 3.87Å; V460-L599 HydrophobicContact CG1-CD1 3.85Å; V460-L599 HydrophobicContact CG1-CD2 4.28Å; M461-L599 HydrophobicContact CG-CD1 4.21Å; M461-L599 HydrophobicContact CG-CD2 3.93Å; M461-L599 HydrophobicContact CG-CG 4.36Å; M461-L599 HydrophobicContact SD-CD1 4.21Å; M461-L599 HydrophobicContact SD-CD2 3.51Å; M461-L599 VanDerWaalsContact SD-CD2 3.51Å; M461-L599 HydrophobicContact SD-CG 3.79Å; L524-L599 HydrophobicContact CB-CD2 4.43Å; L524-L599 HydrophobicContact CD2-CD2 4.33Å; V528-L599 HydrophobicContact CG2-CB 4.44Å; V528-L599 HydrophobicContact CG2-CD2 3.9Å; L599-L631 HydrophobicContact CB-CD1 3.94Å; L599-L631 HydrophobicContact CD1-CB 4.02Å; L599-L631 HydrophobicContact CD1-CD1 4.41Å; L599-A654 CarbonylContact O-C 3.17Å; L599-A654 VanDerWaalsContact O-CA 3.23Å; L599-A654 WeakPolarHBondContact O-CA 3.14Å; L599-L655 HydrophobicContact CB-CB 4.2Å; L599-L655 PolarHBondContact N-O 3.46Å; L599-L655 PolarHBondContact O-N 2.84Å
600	Y	98.4	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	139	-176.3	-68.3	-58.5	0	0	0	112.8	I598 L610 P626 S627 G629 R630 V632 R652 A654	I598-Y600 HydrophobicContact CG2-CD1 4.15Å; I598-Y600 HydrophobicContact CG2-CE1 3.54Å; I598-Y600 HydrophobicContact CG2-CE2 4.4Å; Y600-L610 VanDerWaalsContact OH-CB 3.3Å; Y600-L610 WeakPolarHBondContact OH-CB 3.42Å; Y600-P626 HydrophobicContact CD1-CB 3.63Å; Y600-P626 HydrophobicContact CD1-CG 4.03Å; Y600-P626 HydrophobicContact CD2-CB 3.99Å; Y600-P626 HydrophobicContact CD2-CG 4.5Å; Y600-P626 HydrophobicContact CE1-CB 3.92Å; Y600-P626 HydrophobicContact CE1-CG 3.78Å; Y600-P626 HydrophobicContact CE2-CB 4.2Å; Y600-P626 HydrophobicContact CE2-CG 4.21Å; Y600-P626 HydrophobicContact CG-CB 3.68Å; Y600-P626 HydrophobicContact CG-CG 4.4Å; Y600-S627 WeakPolarHBondContact CB-O 3.22Å; Y600-G629 PolarHBondContact O-N 2.68Å; Y600-R630 HydrophobicContact CD2-CB 4.17Å; Y600-R630 HydrophobicContact CD2-CG 4.12Å; Y600-R630 WeakPolarHBondContact CD2-O 3.13Å; Y600-R630 PolarHBondContact N-O 3.21Å; Y600-V632 HydrophobicContact CE2-CG2 3.73Å; Y600-R652 VanDerWaalsContact CE1-NH2 3.26Å; Y600-R652 PolarHBondContact OH-NH2 3.35Å; Y600-A654 HydrophobicContact CD1-CB 3.85Å; Y600-A654 HydrophobicContact CE1-CB 4.16Å
601	L	97.9	Very high	95.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	15%	0.148	C	C	.	.			trans	-103.1	-20.4	-176.9	-57.7	176.2	0	0	0	112.9	M461 C466 I469 L470 L549 C653	M461-L601 HydrophobicContact CE-CD2 3.83Å; M461-L601 HydrophobicContact SD-CD2 3.66Å; C466-L601 WeakPolarHBondContact CB-O 3.18Å; I469-L601 HydrophobicContact CB-CD2 4.32Å; I469-L601 HydrophobicContact CG2-CD1 3.67Å; I469-L601 HydrophobicContact CG2-CD2 3.93Å; I469-L601 HydrophobicContact CG2-CG 4.46Å; L470-L601 HydrophobicContact CD2-CB 3.91Å; L470-L601 HydrophobicContact CG-CB 4.11Å; L549-L601 HydrophobicContact CD1-CD1 4.01Å; L549-L601 HydrophobicContact CG-CD1 4.39Å; L601-C653 HydrophobicContact CB-CB 4.23Å; L601-C653 WeakPolarHBondContact CB-O 3.43Å; L601-C653 HydrophobicContact CD1-CB 3.93Å; L601-C653 PolarHBondContact N-O 3.49Å; L601-C653 VanDerWaalsContact N-O 3.08Å
602	N	97.5	Very high	95.6	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.053	13%	0.129	C	C	.	.			trans	-158.1	171.2	-175.9	66.2	-38.9	0	0	0	113.1	L470 N604 F605 R651 C653	L470-N602 HydrophobicContact CD1-CB 3.99Å; L470-N602 HydrophobicContact CD2-CB 4.32Å; N602-N604 WeakPolarHBondContact CB-OD1 3.2Å; N602-N604 PolarHBondContact ND2-OD1 2.63Å; N602-F605 VanDerWaalsContact O-CE1 3.27Å; N602-F605 WeakPolarHBondContact O-CE1 3.34Å; N602-R651 PolarHBondContact ND2-O 3.32Å; N602-C653 PolarHBondContact OD1-N 2.97Å; N602-C653 PolarHBondContact OD1-O 2.9Å
603	D	96.1	Very high	96	Very high	96 Å²	96	22.6 Å²	22.6	51%	0.513	12%	0.124	S	C	.	.			trans	-138.9	4.9	177.8	53.4	5.3	0	0	0	114.3	F605	D603-F605 PolarHBondContact O-N 3.42Å
604	N	95.6	Very high	95.8	Very high	122 Å²	122	26 Å²	26	65%	0.652	14%	0.141	S	C	*	.			trans	-79.8	50.1	179.6	61.4	-27.7	0	0	0	112.8	N602	N602-N604 WeakPolarHBondContact CB-OD1 3.2Å; N602-N604 PolarHBondContact ND2-OD1 2.63Å
605	F	95.1	Very high	95.5	Very high	19 Å²	19	28.7 Å²	28.7	8%	0.083	15%	0.149	C	C	.	.	S	Bend	trans	-149.9	164.3	178.5	61	-95.6	0	0	0	111.7	N602 D603 G607 P626 R649 R652	N602-F605 VanDerWaalsContact O-CE1 3.27Å; N602-F605 WeakPolarHBondContact O-CE1 3.34Å; D603-F605 PolarHBondContact O-N 3.42Å; F605-G607 WeakPolarHBondContact CE2-O 3.48Å; F605-P626 HydrophobicContact CE1-CB 4.3Å; F605-P626 HydrophobicContact CE2-CB 4.3Å; F605-P626 HydrophobicContact CE2-CG 4.02Å; F605-P626 HydrophobicContact CZ-CB 3.49Å; F605-P626 VanDerWaalsContact CZ-CB 3.49Å; F605-P626 HydrophobicContact CZ-CG 3.64Å; F605-R649 CarbonylContact C-O 3.51Å; F605-R649 VanDerWaalsContact CA-O 3.26Å; F605-R649 WeakPolarHBondContact CA-O 3.49Å; F605-R649 WeakPolarHBondContact CB-O 3.15Å; F605-R652 HydrophobicContact CD1-CB 3.9Å; F605-R652 HydrophobicContact CD1-CG 4.48Å; F605-R652 HydrophobicContact CD2-CB 3.99Å; F605-R652 HydrophobicContact CE1-CB 3.67Å; F605-R652 HydrophobicContact CE1-CG 3.76Å; F605-R652 HydrophobicContact CE2-CB 3.79Å; F605-R652 HydrophobicContact CE2-CG 3.82Å; F605-R652 HydrophobicContact CG-CB 4.03Å; F605-R652 HydrophobicContact CZ-CB 3.6Å; F605-R652 HydrophobicContact CZ-CG 3.37Å
606	D	93.7	Very high	94.8	Very high	58 Å²	58	30.1 Å²	30.1	31%	0.31	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.8	176.9	-66.9	6.2	0	0	0	110.9	T648 R649	D606-T648 WeakPolarHBondContact CB-OG1 3.49Å; D606-T648 PolarHBondContact O-N 3.49Å; D606-T648 PolarHBondContact O-OG1 2.96Å; D606-R649 HydrophobicContact CB-CB 3.97Å; D606-R649 PolarHBondContact N-O 3.45Å; D606-R649 IonicContact OD1-CZ 3.04Å; D606-R649 IonicContact OD1-NE 3.45Å; D606-R649 IonicContact OD1-NH2 3.1Å; D606-R649 PolarHBondContact OD1-NH2 3.25Å; D606-R649 IonicContact OD2-CZ 2.93Å; D606-R649 IonicContact OD2-NE 3.39Å; D606-R649 IonicContact OD2-NH1 2.79Å; D606-R649 PolarHBondContact OD2-NH1 3.21Å; D606-R649 IonicContact OD2-NH2 3.16Å; D606-R649 PolarHBondContact OD2-NH2 3.15Å
607	G	92.9	Very high	94.2	Very high	31 Å²	31	31.3 Å²	31.3	32%	0.32	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.6	-146.8	-175.7	0	0	0	0	0	112.4	F605 E609 A646	F605-G607 WeakPolarHBondContact CE2-O 3.48Å; G607-E609 PolarHBondContact O-N 2.84Å; G607-A646 VanDerWaalsContact CA-O 3.31Å; G607-A646 WeakPolarHBondContact CA-O 3.28Å
608	G	94.4	Very high	93.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.			trans	67.8	15.6	174.8	0	0	0	0	0	115.9	P626 T645 A646 R652	G608-P626 WeakPolarHBondContact O-CG 3.38Å; G608-T645 WeakPolarHBondContact CA-O 3.41Å; G608-T645 PolarHBondContact N-O 3.27Å; G608-T645 PolarHBondContact N-OG1 3.47Å; G608-A646 PolarHBondContact N-O 3.31Å; G608-R652 PolarHBondContact O-NE 3.42Å; G608-R652 PolarHBondContact O-NH2 3.48Å
609	E	96.9	Very high	93.1	Very high	53 Å²	53	40.8 Å²	40.8	25%	0.248	21%	0.212	C	C	.	.			trans	-64.8	135	174.2	-56.7	-179.8	153.8	0	0	110.2	G607 R623 V644 T645	G607-E609 PolarHBondContact O-N 2.84Å; E609-R623 IonicContact OE2-NH1 3.76Å; E609-R623 PolarHBondContact OE2-NH1 3.27Å; E609-V644 WeakPolarHBondContact O-CA 3.36Å; E609-T645 HydrophobicContact CB-CG2 4.49Å; E609-T645 WeakPolarHBondContact CB-OG1 3.4Å; E609-T645 PolarHBondContact N-OG1 3.31Å; E609-T645 PolarHBondContact O-N 3.33Å; E609-T645 PolarHBondContact O-OG1 2.93Å
610	L	97.9	Very high	92.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.6	165.4	177.7	149.6	0	0	0	108.3	I598 Y600 F612 R623 V624 V632 F634 G643	I598-L610 HydrophobicContact CG1-CD1 4.15Å; Y600-L610 VanDerWaalsContact OH-CB 3.3Å; Y600-L610 WeakPolarHBondContact OH-CB 3.42Å; L610-F612 HydrophobicContact CD2-CD2 3.96Å; L610-F612 HydrophobicContact CD2-CE1 4.32Å; L610-F612 HydrophobicContact CD2-CE2 3.46Å; L610-F612 VanDerWaalsContact CD2-CE2 3.46Å; L610-F612 HydrophobicContact CD2-CZ 3.68Å; L610-R623 CarbonylContact O-C 3.52Å; L610-R623 WeakPolarHBondContact O-CA 3.39Å; L610-V624 HydrophobicContact CD2-CG2 4.37Å; L610-V624 PolarHBondContact N-O 3.49Å; L610-V624 PolarHBondContact O-N 3.41Å; L610-V632 HydrophobicContact CD2-CG1 4.36Å; L610-F634 HydrophobicContact CD1-CE1 4.36Å; L610-G643 WeakPolarHBondContact CA-O 3.38Å
611	F	97.7	Very high	92.7	Very high	12 Å²	12	45.2 Å²	45.2	5%	0.053	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.6	174.8	67.5	-85.9	0	0	0	110.7	L565 V569 T613 V620 A622 R623 H642 G643 T645	L565-F611 HydrophobicContact CD1-CE1 4.4Å; L565-F611 HydrophobicContact CD1-CZ 3.85Å; L565-F611 HydrophobicContact CD2-CE1 3.8Å; L565-F611 HydrophobicContact CD2-CZ 3.89Å; V569-F611 HydrophobicContact CG2-CE2 3.68Å; V569-F611 HydrophobicContact CG2-CZ 3.77Å; F611-T613 HydrophobicContact CD2-CG2 3.68Å; F611-T613 HydrophobicContact CE2-CG2 3.52Å; F611-V620 HydrophobicContact CB-CG1 4.21Å; F611-V620 HydrophobicContact CD2-CG1 4.4Å; F611-V620 HydrophobicContact CD2-CG2 3.98Å; F611-V620 HydrophobicContact CE2-CG2 4.39Å; F611-A622 CarbonylContact C-O 3.58Å; F611-A622 WeakPolarHBondContact CA-O 3.47Å; F611-A622 WeakPolarHBondContact CB-O 3.46Å; F611-R623 HydrophobicContact CB-CG 3.97Å; F611-H642 CarbonylContact O-C 3.47Å; F611-H642 WeakPolarHBondContact O-CA 3.37Å; F611-H642 WeakPolarHBondContact O-CB 3.22Å; F611-G643 VanDerWaalsContact CD1-O 3.3Å; F611-G643 WeakPolarHBondContact CD1-O 3.34Å; F611-G643 PolarHBondContact N-O 3.38Å; F611-G643 PolarHBondContact O-N 3.4Å; F611-T645 HydrophobicContact CD1-CG2 3.88Å; F611-T645 HydrophobicContact CE1-CG2 4.12Å
612	F	97.4	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	150.3	172.9	-64.3	-81.6	0	0	0	109.8	R454 L610 V620 T621 A622 V624 V632 F634 N640 P641 H642	R454-F612 HydrophobicContact CB-CZ 4.39Å; R454-F612 VanDerWaalsContact NH1-CB 3.31Å; R454-F612 VanDerWaalsContact NH1-CG 3.27Å; L610-F612 HydrophobicContact CD2-CD2 3.96Å; L610-F612 HydrophobicContact CD2-CE1 4.32Å; L610-F612 HydrophobicContact CD2-CE2 3.46Å; L610-F612 VanDerWaalsContact CD2-CE2 3.46Å; L610-F612 HydrophobicContact CD2-CZ 3.68Å; F612-V620 CarbonylContact O-C 3.57Å; F612-V620 WeakPolarHBondContact O-CA 3.41Å; F612-T621 WeakPolarHBondContact CB-OG1 3.45Å; F612-T621 PolarHBondContact O-N 2.92Å; F612-T621 PolarHBondContact O-OG1 3.38Å; F612-A622 HydrophobicContact CD2-CB 4.28Å; F612-A622 PolarHBondContact N-O 3.25Å; F612-V624 HydrophobicContact CE2-CG2 4.49Å; F612-V632 HydrophobicContact CE2-CG1 4.4Å; F612-V632 HydrophobicContact CZ-CG1 4.15Å; F612-F634 HydrophobicContact CE1-CB 4.23Å; F612-F634 AromaticContact CE1-CD1 3.99Å; F612-F634 HydrophobicContact CE1-CD1 3.99Å; F612-F634 HydrophobicContact CE1-CD2 4.17Å; F612-F634 HydrophobicContact CE1-CE1 4.42Å; F612-F634 AromaticContact CE1-CG 3.87Å; F612-F634 HydrophobicContact CE1-CG 3.87Å; F612-F634 HydrophobicContact CZ-CB 4.28Å; F612-F634 AromaticContact CZ-CD1 3.81Å; F612-F634 HydrophobicContact CZ-CD1 3.81Å; F612-F634 HydrophobicContact CZ-CE1 4.35Å; F612-F634 HydrophobicContact CZ-CG 4.05Å; F612-N640 HydrophobicContact CD1-CB 4.2Å; F612-N640 HydrophobicContact CE1-CB 4.09Å; F612-P641 CarbonylContact C-O 3.48Å; F612-P641 WeakPolarHBondContact CA-O 3.41Å; F612-H642 HydrophobicContact CD1-CB 3.76Å; F612-H642 HydrophobicContact CE1-CB 4.04Å
613	T	93.9	Very high	92.6	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	167.1	174.8	66.9	0	0	0	0	111.5	V569 F611 T619 V620 P641	V569-T613 HydrophobicContact CG1-CG2 4.43Å; V569-T613 HydrophobicContact CG2-CG2 4.15Å; F611-T613 HydrophobicContact CD2-CG2 3.68Å; F611-T613 HydrophobicContact CE2-CG2 3.52Å; T613-T619 CarbonylContact C-O 3.56Å; T613-T619 WeakPolarHBondContact CA-O 3.42Å; T613-T619 WeakPolarHBondContact CB-O 3.43Å; T613-V620 HydrophobicContact CG2-CG2 4.34Å; T613-P641 PolarHBondContact N-O 3.16Å
614	E	89	Confident	92.7	Very high	93 Å²	93	47 Å²	47	44%	0.435	24%	0.241	S	C	.	.			trans	-66.7	173.6	156.6	-61.3	-170.8	-171.3	0	0	110.6	D616 A617 T619 T621	E614-D616 PolarHBondContact O-N 3.18Å; E614-A617 PolarHBondContact O-N 2.88Å; E614-A617 VanDerWaalsContact O-N 3.09Å; E614-T619 HydrophobicContact CG-CG2 4Å; E614-T619 PolarHBondContact N-O 3.48Å; E614-T621 HydrophobicContact CG-CG2 3.77Å
615	R	83	Confident	92.7	Very high	73 Å²	73	47.7 Å²	47.7	28%	0.275	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.1	179.7	-68.7	-175.7	-75.5	167.9	-1.7	113.9	E423 L576 P578 K581 A617 P641	E423-R615 WeakPolarHBondContact OE2-CD 3.45Å; E423-R615 IonicContact OE2-CZ 3.68Å; E423-R615 IonicContact OE2-NE 3.72Å; E423-R615 IonicContact OE2-NH1 3.2Å; E423-R615 PolarHBondContact OE2-NH1 3.08Å; L576-R615 HydrophobicContact CD1-CB 4.13Å; L576-R615 HydrophobicContact CD1-CG 4.34Å; P578-R615 WeakPolarHBondContact CA-O 3.25Å; K581-R615 HydrophobicContact CB-CB 3.92Å; K581-R615 HydrophobicContact CG-CB 4.38Å; K581-R615 WeakPolarHBondContact O-CD 3.41Å; K581-R615 PolarHBondContact O-NH1 2.95Å; R615-A617 PolarHBondContact O-N 3.01Å; R615-P641 HydrophobicContact CG-CG 4.32Å
616	D	80.4	Confident	92.9	Very high	29 Å²	29	47 Å²	47	16%	0.155	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-2.5	171.6	71.9	1.1	0	0	0	113.7	E614 K618 T619	E614-D616 PolarHBondContact O-N 3.18Å; D616-K618 WeakPolarHBondContact O-CG 3.43Å; D616-K618 PolarHBondContact O-N 3.35Å; D616-K618 PolarHBondContact OD1-N 2.72Å; D616-T619 PolarHBondContact OD1-N 3.03Å; D616-T619 WeakPolarHBondContact OD2-CB 3.32Å; D616-T619 PolarHBondContact OD2-OG1 3Å
617	A	85.1	Confident	93	Very high	27 Å²	27	45.3 Å²	45.3	22%	0.223	23%	0.228	C	C	.	.	S	Bend	trans	56.1	14.1	-176.8	0	0	0	0	0	115.2	V569 L576 P578 E614 R615	V569-A617 HydrophobicContact CB-CB 4.15Å; V569-A617 HydrophobicContact CG1-CB 3.78Å; L576-A617 HydrophobicContact CD2-CB 4.29Å; P578-A617 HydrophobicContact CB-CB 4.11Å; P578-A617 HydrophobicContact CG-CB 3.87Å; E614-A617 PolarHBondContact O-N 2.88Å; E614-A617 VanDerWaalsContact O-N 3.09Å; R615-A617 PolarHBondContact O-N 3.01Å
618	K	84.7	Confident	93.2	Very high	164 Å²	164	44.8 Å²	44.8	71%	0.713	22%	0.22	S	C	*	.			trans	-123.6	-43.2	-172.9	-71.3	169.2	-174.4	171	0	111.8	D616 V620	D616-K618 WeakPolarHBondContact O-CG 3.43Å; D616-K618 PolarHBondContact O-N 3.35Å; D616-K618 PolarHBondContact OD1-N 2.72Å; K618-V620 PolarHBondContact O-N 3.37Å
619	T	88.7	Confident	93.4	Very high	61 Å²	61	44.8 Å²	44.8	37%	0.374	22%	0.22	S	C	.	.	S	Bend	trans	-81	103	-174.5	-59.9	0	0	0	0	109.8	T613 E614 D616 T621	T613-T619 CarbonylContact C-O 3.56Å; T613-T619 WeakPolarHBondContact CA-O 3.42Å; T613-T619 WeakPolarHBondContact CB-O 3.43Å; E614-T619 HydrophobicContact CG-CG2 4Å; E614-T619 PolarHBondContact N-O 3.48Å; D616-T619 PolarHBondContact OD1-N 3.03Å; D616-T619 WeakPolarHBondContact OD2-CB 3.32Å; D616-T619 PolarHBondContact OD2-OG1 3Å; T619-T621 PolarHBondContact O-N 2.91Å
620	V	94.5	Very high	93.5	Very high	62 Å²	62	44.2 Å²	44.2	38%	0.376	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.6	-179.2	177.7	0	0	0	0	110.7	F611 F612 T613 K618 R623	F611-V620 HydrophobicContact CB-CG1 4.21Å; F611-V620 HydrophobicContact CD2-CG1 4.4Å; F611-V620 HydrophobicContact CD2-CG2 3.98Å; F611-V620 HydrophobicContact CE2-CG2 4.39Å; F612-V620 CarbonylContact O-C 3.57Å; F612-V620 WeakPolarHBondContact O-CA 3.41Å; T613-V620 HydrophobicContact CG2-CG2 4.34Å; K618-V620 PolarHBondContact O-N 3.37Å; V620-R623 HydrophobicContact CG1-CG 4.17Å
621	T	93.8	Very high	93.5	Very high	32 Å²	32	44.1 Å²	44.1	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-35.3	-177.6	54.3	0	0	0	0	113.2	N450 R454 F612 E614 T619	N450-T621 PolarHBondContact ND2-O 3.26Å; R454-T621 PolarHBondContact NH2-OG1 3.44Å; F612-T621 WeakPolarHBondContact CB-OG1 3.45Å; F612-T621 PolarHBondContact O-N 2.92Å; F612-T621 PolarHBondContact O-OG1 3.38Å; E614-T621 HydrophobicContact CG-CG2 3.77Å; T619-T621 PolarHBondContact O-N 2.91Å
622	A	96.8	Very high	93.5	Very high	14 Å²	14	43.6 Å²	43.6	12%	0.116	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	161.9	176.5	0	0	0	0	0	113	L449 F611 F612	L449-A622 HydrophobicContact CB-CB 4.28Å; L449-A622 HydrophobicContact CD2-CB 4.11Å; L449-A622 WeakPolarHBondContact O-CB 3.42Å; F611-A622 CarbonylContact C-O 3.58Å; F611-A622 WeakPolarHBondContact CA-O 3.47Å; F611-A622 WeakPolarHBondContact CB-O 3.46Å; F612-A622 HydrophobicContact CD2-CB 4.28Å; F612-A622 PolarHBondContact N-O 3.25Å
623	R	97.3	Very high	93.6	Very high	131 Å²	131	43.6 Å²	43.6	49%	0.494	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.7	177.3	-67	179.9	174	-120.5	-1.3	110.6	E609 L610 F611 V620	E609-R623 IonicContact OE2-NH1 3.76Å; E609-R623 PolarHBondContact OE2-NH1 3.27Å; L610-R623 CarbonylContact O-C 3.52Å; L610-R623 WeakPolarHBondContact O-CA 3.39Å; F611-R623 HydrophobicContact CB-CG 3.97Å; V620-R623 HydrophobicContact CG1-CG 4.17Å
624	V	97.6	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.8	176.7	-173.2	0	0	0	0	109.7	L449 V456 L610 F612 V632	L449-V624 HydrophobicContact CD2-CG2 3.96Å; V456-V624 HydrophobicContact CG1-CG1 4.35Å; V456-V624 HydrophobicContact CG2-CB 4.49Å; V456-V624 HydrophobicContact CG2-CG1 3.84Å; V456-V624 HydrophobicContact CG2-CG2 3.76Å; L610-V624 HydrophobicContact CD2-CG2 4.37Å; L610-V624 PolarHBondContact N-O 3.49Å; L610-V624 PolarHBondContact O-N 3.41Å; F612-V624 HydrophobicContact CE2-CG2 4.49Å; V624-V632 HydrophobicContact CB-CG2 4.22Å; V624-V632 HydrophobicContact CG1-CG2 3.68Å; V624-V632 HydrophobicContact CG2-CG2 4.44Å
625	K	97.1	Very high	93.9	Very high	137 Å²	137	39 Å²	39	60%	0.596	19%	0.19	S	C	*	.			trans	-81.8	128.3	175.5	-170.9	173.4	179.9	178.2	0	110.3	R630	K625-R630 VanDerWaalsContact O-CD 3.31Å; K625-R630 WeakPolarHBondContact O-CD 3.25Å; K625-R630 PolarHBondContact O-NH1 3.14Å
626	P	97.3	Very high	94.4	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.032	18%	0.178	C	C	.	.			trans	-63.4	146	177.1	-27	38.5	0	0	0	113.8	Y600 F605 G608	Y600-P626 HydrophobicContact CD1-CB 3.63Å; Y600-P626 HydrophobicContact CD1-CG 4.03Å; Y600-P626 HydrophobicContact CD2-CB 3.99Å; Y600-P626 HydrophobicContact CD2-CG 4.5Å; Y600-P626 HydrophobicContact CE1-CB 3.92Å; Y600-P626 HydrophobicContact CE1-CG 3.78Å; Y600-P626 HydrophobicContact CE2-CB 4.2Å; Y600-P626 HydrophobicContact CE2-CG 4.21Å; Y600-P626 HydrophobicContact CG-CB 3.68Å; Y600-P626 HydrophobicContact CG-CG 4.4Å; F605-P626 HydrophobicContact CE1-CB 4.3Å; F605-P626 HydrophobicContact CE2-CB 4.3Å; F605-P626 HydrophobicContact CE2-CG 4.02Å; F605-P626 HydrophobicContact CZ-CB 3.49Å; F605-P626 VanDerWaalsContact CZ-CB 3.49Å; F605-P626 HydrophobicContact CZ-CG 3.64Å; G608-P626 WeakPolarHBondContact O-CG 3.38Å
627	S	97.1	Very high	94.8	Very high	22 Å²	22	34.3 Å²	34.3	15%	0.154	17%	0.172	C	C	.	.			trans	-156.1	154.4	168.6	56.5	0	0	0	0	111.2	Y600 G629 R630	Y600-S627 WeakPolarHBondContact CB-O 3.22Å; S627-G629 PolarHBondContact O-N 2.93Å; S627-R630 VanDerWaalsContact O-CB 3.32Å; S627-R630 WeakPolarHBondContact O-CB 3.35Å; S627-R630 PolarHBondContact O-N 3.09Å; S627-R630 WeakPolarHBondContact OG-CB 3.19Å; S627-R630 PolarHBondContact OG-NE 2.92Å
628	C	97.7	Very high	94.9	Very high	20 Å²	20	33.4 Å²	33.4	14%	0.135	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	129.9	177.6	161.9	0	0	0	0	110.7	C466 R630	C466-C628 HydrophobicContact CB-CB 3.98Å; C466-C628 WeakPolarHBondContact CB-SG 3.29Å; C466-C628 WeakPolarHBondContact SG-CB 3.23Å; C466-C628 CovalentContact SG-SG 2.04Å; C466-C628 PolarHBondContact SG-SG 3.09Å; C628-R630 PolarHBondContact O-N 3.49Å
629	G	97.4	Very high	95.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	7.3	177.2	0	0	0	0	0	115.3	G459 V460 Y600 S627	G459-G629 PolarHBondContact N-O 2.58Å; V460-G629 WeakPolarHBondContact CB-O 3.19Å; V460-G629 PolarHBondContact N-O 3.37Å; Y600-G629 PolarHBondContact O-N 2.68Å; S627-G629 PolarHBondContact O-N 2.93Å
630	R	98.6	Very high	95.3	Very high	41 Å²	41	24 Å²	24	16%	0.155	12%	0.119	C	C	.	.			trans	-81.6	124.1	170.3	177.4	167	-73.9	161.9	2	110.4	V456 L457 D458 Y600 K625 S627 C628	V456-R630 HydrophobicContact CG1-CG 3.67Å; L457-R630 CarbonylContact O-C 3.09Å; L457-R630 WeakPolarHBondContact O-CA 3.48Å; D458-R630 VanDerWaalsContact OD1-CB 3.25Å; D458-R630 WeakPolarHBondContact OD1-CB 3.44Å; D458-R630 VanDerWaalsContact OD1-CG 3.29Å; D458-R630 WeakPolarHBondContact OD1-CG 3.48Å; D458-R630 IonicContact OD1-CZ 3.31Å; D458-R630 IonicContact OD1-NE 2.72Å; D458-R630 PolarHBondContact OD1-NE 2.86Å; D458-R630 IonicContact OD1-NH2 3.95Å; D458-R630 PolarHBondContact OD1-NH2 2.83Å; D458-R630 IonicContact OD2-CZ 2.74Å; D458-R630 IonicContact OD2-NE 3.66Å; D458-R630 IonicContact OD2-NH2 3Å; D458-R630 PolarHBondContact OD2-NH2 2.81Å; Y600-R630 HydrophobicContact CD2-CB 4.17Å; Y600-R630 HydrophobicContact CD2-CG 4.12Å; Y600-R630 WeakPolarHBondContact CD2-O 3.13Å; Y600-R630 PolarHBondContact N-O 3.21Å; K625-R630 VanDerWaalsContact O-CD 3.31Å; K625-R630 WeakPolarHBondContact O-CD 3.25Å; K625-R630 PolarHBondContact O-NH1 3.14Å; S627-R630 VanDerWaalsContact O-CB 3.32Å; S627-R630 WeakPolarHBondContact O-CB 3.35Å; S627-R630 PolarHBondContact O-N 3.09Å; S627-R630 WeakPolarHBondContact OG-CB 3.19Å; S627-R630 PolarHBondContact OG-NE 2.92Å; C628-R630 PolarHBondContact O-N 3.49Å
631	L	98.6	Very high	95.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.5	175.6	176.6	67.8	0	0	0	109.6	V456 L457 V460 V528 L531 L532 A597 I598 L599	V456-L631 CarbonylContact C-O 3.6Å; V456-L631 VanDerWaalsContact CA-O 3.29Å; V456-L631 WeakPolarHBondContact CA-O 3.3Å; L457-L631 HydrophobicContact CB-CB 4.31Å; L457-L631 HydrophobicContact CD1-CD2 4.2Å; L457-L631 PolarHBondContact N-O 3.3Å; L457-L631 PolarHBondContact O-N 3.3Å; V460-L631 HydrophobicContact CB-CB 4.48Å; V460-L631 HydrophobicContact CG2-CB 3.78Å; V460-L631 HydrophobicContact CG2-CD2 4.2Å; V528-L631 HydrophobicContact CB-CD1 4.49Å; V528-L631 HydrophobicContact CB-CD2 4.49Å; V528-L631 HydrophobicContact CG1-CD1 3.73Å; V528-L631 HydrophobicContact CG1-CD2 3.93Å; V528-L631 HydrophobicContact CG1-CG 4.49Å; V528-L631 HydrophobicContact CG2-CD1 3.88Å; V528-L631 HydrophobicContact CG2-CD2 4.19Å; L531-L631 HydrophobicContact CD1-CD2 4.46Å; L532-L631 HydrophobicContact CD2-CD2 4.05Å; L532-L631 HydrophobicContact CG-CD2 4.36Å; A597-L631 HydrophobicContact CB-CD1 3.97Å; I598-L631 WeakPolarHBondContact O-CA 3.31Å; L599-L631 HydrophobicContact CB-CD1 3.94Å; L599-L631 HydrophobicContact CD1-CB 4.02Å; L599-L631 HydrophobicContact CD1-CD1 4.41Å
632	V	98.5	Very high	95.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.3	163.9	-166.9	0	0	0	0	107.4	V455 V456 A597 I598 Y600 L610 F612 V624 F634	V455-V632 WeakPolarHBondContact O-CA 3.32Å; V456-V632 HydrophobicContact CG2-CG1 4.48Å; V456-V632 HydrophobicContact CG2-CG2 4.39Å; A597-V632 CarbonylContact C-O 3.46Å; A597-V632 WeakPolarHBondContact CA-O 3.48Å; I598-V632 PolarHBondContact N-O 3.04Å; I598-V632 PolarHBondContact O-N 3.11Å; Y600-V632 HydrophobicContact CE2-CG2 3.73Å; L610-V632 HydrophobicContact CD2-CG1 4.36Å; F612-V632 HydrophobicContact CE2-CG1 4.4Å; F612-V632 HydrophobicContact CZ-CG1 4.15Å; V624-V632 HydrophobicContact CB-CG2 4.22Å; V624-V632 HydrophobicContact CG1-CG2 3.68Å; V624-V632 HydrophobicContact CG2-CG2 4.44Å; V632-F634 HydrophobicContact CG1-CD1 4.06Å; V632-F634 HydrophobicContact CG1-CE1 4.41Å
633	G	97.8	Very high	95.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.8	174.6	0	0	0	0	0	110.2	R454 V455 S596	R454-G633 CarbonylContact C-O 3.49Å; R454-G633 VanDerWaalsContact CA-O 3.29Å; R454-G633 WeakPolarHBondContact CA-O 3.46Å; V455-G633 PolarHBondContact N-O 3.25Å; V455-G633 PolarHBondContact O-N 2.04Å; S596-G633 WeakPolarHBondContact O-CA 3.05Å
634	F	96.9	Very high	95.4	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	159.2	-179.7	53.4	-85.9	0	0	0	111.1	N453 R454 S596 L610 F612 V632 N640 H642	N453-F634 VanDerWaalsContact O-CA 3.28Å; N453-F634 WeakPolarHBondContact O-CA 3.07Å; R454-F634 HydrophobicContact CB-CB 3.77Å; S596-F634 PolarHBondContact N-O 3.46Å; S596-F634 PolarHBondContact O-N 3.44Å; S596-F634 VanDerWaalsContact O-O 3.13Å; L610-F634 HydrophobicContact CD1-CE1 4.36Å; F612-F634 HydrophobicContact CE1-CB 4.23Å; F612-F634 AromaticContact CE1-CD1 3.99Å; F612-F634 HydrophobicContact CE1-CD1 3.99Å; F612-F634 HydrophobicContact CE1-CD2 4.17Å; F612-F634 HydrophobicContact CE1-CE1 4.42Å; F612-F634 AromaticContact CE1-CG 3.87Å; F612-F634 HydrophobicContact CE1-CG 3.87Å; F612-F634 HydrophobicContact CZ-CB 4.28Å; F612-F634 AromaticContact CZ-CD1 3.81Å; F612-F634 HydrophobicContact CZ-CD1 3.81Å; F612-F634 HydrophobicContact CZ-CE1 4.35Å; F612-F634 HydrophobicContact CZ-CG 4.05Å; V632-F634 HydrophobicContact CG1-CD1 4.06Å; V632-F634 HydrophobicContact CG1-CE1 4.41Å; F634-N640 HydrophobicContact CB-CB 4.34Å; F634-N640 HydrophobicContact CD2-CB 3.87Å; F634-N640 HydrophobicContact CG-CB 4.44Å; F634-H642 AromaticContact CE2-CE1 3.36Å; F634-H642 WeakPolarHBondContact CE2-CE1 3.15Å; F634-H642 AromaticContact CE2-ND1 3.49Å; F634-H642 WeakPolarHBondContact CE2-ND1 3.47Å; F634-H642 AromaticContact CE2-NE2 3.92Å; F634-H642 AromaticContact CZ-CD2 3.93Å; F634-H642 AromaticContact CZ-CE1 3.55Å; F634-H642 AromaticContact CZ-ND1 3.83Å; F634-H642 AromaticContact CZ-NE2 3.6Å
635	S	93.9	Very high	95.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	139.4	170.4	55.7	0	0	0	0	111.7	D425 N453 G637 V639 N640	D425-S635 PolarHBondContact OD1-OG 3.31Å; D425-S635 WeakPolarHBondContact OD2-CB 3.32Å; D425-S635 PolarHBondContact OD2-OG 3.08Å; N453-S635 PolarHBondContact O-N 3.06Å; S635-G637 PolarHBondContact O-N 3.41Å; S635-G637 VanDerWaalsContact O-N 3.09Å; S635-V639 WeakPolarHBondContact OG-CG2 2.99Å; S635-N640 WeakPolarHBondContact O-CB 3.3Å; S635-N640 PolarHBondContact O-ND2 3.32Å; S635-N640 PolarHBondContact OG-ND2 2.95Å
636	S	93.7	Very high	95	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.014	5%	0.054	C	C	.	.	S	Bend	trans	-73.2	-0.7	-174.6	-58	0	0	0	0	114.2	V571 D572 N573 R593 D594 L595 S596	V571-S636 WeakPolarHBondContact CG1-O 3.2Å; D572-S636 PolarHBondContact N-O 3.12Å; N573-S636 VanDerWaalsContact CG-O 3.25Å; N573-S636 PolarHBondContact N-O 3.05Å; N573-S636 PolarHBondContact OD1-O 3.02Å; R593-S636 WeakPolarHBondContact O-CB 3.46Å; D594-S636 PolarHBondContact O-N 3.43Å; L595-S636 WeakPolarHBondContact CA-OG 3.34Å; L595-S636 PolarHBondContact N-OG 3.24Å; L595-S636 PolarHBondContact O-OG 3.07Å; S596-S636 PolarHBondContact N-OG 3.04Å; S596-S636 PolarHBondContact OG-OG 3.3Å
637	G	88	Confident	94.8	Very high	2 Å²	2	8.9 Å²	8.9	2%	0.021	5%	0.052	C	C	.	.	S	Bend	trans	-83.9	-178.7	-169.6	0	0	0	0	0	115.7	V571 N573 S635 V639 N640	V571-G637 VanDerWaalsContact CG1-C 3.4Å; V571-G637 VanDerWaalsContact CG1-O 3.29Å; V571-G637 WeakPolarHBondContact CG1-O 3.32Å; N573-G637 WeakPolarHBondContact OD1-CA 3.31Å; S635-G637 PolarHBondContact O-N 3.41Å; S635-G637 VanDerWaalsContact O-N 3.09Å; G637-V639 PolarHBondContact O-N 2.97Å; G637-N640 PolarHBondContact O-N 3.37Å; G637-N640 VanDerWaalsContact O-N 3.11Å
638	P	86.3	Confident	94.5	Very high	8 Å²	8	10.2 Å²	10.2	5%	0.052	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.5	-175.7	22.5	-35.3	0	0	0	116	E423 C583 N640 P641	E423-P638 HydrophobicContact CB-CB 3.97Å; E423-P638 HydrophobicContact CB-CG 3.74Å; E423-P638 VanDerWaalsContact CD-CG 3.41Å; E423-P638 HydrophobicContact CG-CB 4.11Å; E423-P638 HydrophobicContact CG-CG 3.84Å; E423-P638 WeakPolarHBondContact OE1-CB 3.24Å; E423-P638 WeakPolarHBondContact OE1-CG 2.94Å; E423-P638 WeakPolarHBondContact OE2-CB 3.42Å; C583-P638 HydrophobicContact CB-CB 3.69Å; P638-N640 VanDerWaalsContact C-N 3.34Å; P638-P641 VanDerWaalsContact O-CD 3.29Å; P638-P641 WeakPolarHBondContact O-CD 3.5Å
639	V	89.2	Confident	94.3	Very high	25 Å²	25	16.7 Å²	16.7	15%	0.152	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.1	176.3	-72.6	0	0	0	0	114.1	E423 D425 T452 S635 G637 P641	E423-V639 WeakPolarHBondContact O-CG1 3.39Å; D425-V639 HydrophobicContact CB-CG1 4.08Å; D425-V639 HydrophobicContact CB-CG2 3.75Å; T452-V639 WeakPolarHBondContact OG1-CB 3.49Å; T452-V639 WeakPolarHBondContact OG1-CG1 3.22Å; S635-V639 WeakPolarHBondContact OG-CG2 2.99Å; G637-V639 PolarHBondContact O-N 2.97Å; V639-P641 WeakPolarHBondContact O-CD 3.42Å
640	N	93.6	Very high	94.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.099	C	C	.	.			trans	-122.8	54.1	-176.3	-71.7	-59.2	0	0	0	113.2	T452 R454 F612 F634 S635 G637 P638 H642	T452-N640 PolarHBondContact O-ND2 3.13Å; R454-N640 PolarHBondContact NH1-OD1 2.89Å; F612-N640 HydrophobicContact CD1-CB 4.2Å; F612-N640 HydrophobicContact CE1-CB 4.09Å; F634-N640 HydrophobicContact CB-CB 4.34Å; F634-N640 HydrophobicContact CD2-CB 3.87Å; F634-N640 HydrophobicContact CG-CB 4.44Å; S635-N640 WeakPolarHBondContact O-CB 3.3Å; S635-N640 PolarHBondContact O-ND2 3.32Å; S635-N640 PolarHBondContact OG-ND2 2.95Å; G637-N640 PolarHBondContact O-N 3.37Å; G637-N640 VanDerWaalsContact O-N 3.11Å; P638-N640 VanDerWaalsContact C-N 3.34Å; N640-H642 PolarHBondContact O-N 3.33Å; N640-H642 PolarHBondContact O-ND1 2.98Å
641	P	94.4	Very high	94	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.013	10%	0.103	C	C	.	.			trans	-56.8	131.1	165.2	-19.4	33.2	0	0	0	109.7	V569 H570 V571 L576 F612 T613 R615 P638 V639	V569-P641 HydrophobicContact CG1-CB 4.18Å; H570-P641 WeakPolarHBondContact O-CA 3.35Å; V571-P641 HydrophobicContact CG2-CB 4.05Å; V571-P641 HydrophobicContact CG2-CG 3.95Å; L576-P641 HydrophobicContact CD2-CB 3.96Å; L576-P641 HydrophobicContact CD2-CG 4.19Å; F612-P641 CarbonylContact C-O 3.48Å; F612-P641 WeakPolarHBondContact CA-O 3.41Å; T613-P641 PolarHBondContact N-O 3.16Å; R615-P641 HydrophobicContact CG-CG 4.32Å; P638-P641 VanDerWaalsContact O-CD 3.29Å; P638-P641 WeakPolarHBondContact O-CD 3.5Å; V639-P641 WeakPolarHBondContact O-CD 3.42Å
642	H	96.9	Very high	93.9	Very high	10 Å²	10	20.3 Å²	20.3	5%	0.046	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.4	-173.5	65.7	-80.8	0	0	0	112.8	V569 H570 D572 F611 F612 F634 N640	V569-H642 VanDerWaalsContact CA-O 3.29Å; V569-H642 WeakPolarHBondContact CA-O 3.45Å; H570-H642 AromaticContact CE1-CD2 3.73Å; H570-H642 AromaticContact CE1-CE1 3.74Å; H570-H642 AromaticContact CE1-NE2 3.2Å; H570-H642 PolarHBondContact CE1-NE2 3.17Å; H570-H642 PolarHBondContact N-O 3.39Å; H570-H642 PolarHBondContact ND1-O 3.41Å; H570-H642 VanDerWaalsContact ND1-O 3.1Å; H570-H642 AromaticContact NE2-CE1 3.91Å; H570-H642 AromaticContact NE2-NE2 3.6Å; H570-H642 PolarHBondContact O-N 3.27Å; D572-H642 IonicContact OD2-CE1 3.67Å; D572-H642 PolarHBondContact OD2-CE1 2.97Å; D572-H642 IonicContact OD2-NE2 3.81Å; F611-H642 CarbonylContact O-C 3.47Å; F611-H642 WeakPolarHBondContact O-CA 3.37Å; F611-H642 WeakPolarHBondContact O-CB 3.22Å; F612-H642 HydrophobicContact CD1-CB 3.76Å; F612-H642 HydrophobicContact CE1-CB 4.04Å; F634-H642 AromaticContact CE2-CE1 3.36Å; F634-H642 WeakPolarHBondContact CE2-CE1 3.15Å; F634-H642 AromaticContact CE2-ND1 3.49Å; F634-H642 WeakPolarHBondContact CE2-ND1 3.47Å; F634-H642 AromaticContact CE2-NE2 3.92Å; F634-H642 AromaticContact CZ-CD2 3.93Å; F634-H642 AromaticContact CZ-CE1 3.55Å; F634-H642 AromaticContact CZ-ND1 3.83Å; F634-H642 AromaticContact CZ-NE2 3.6Å; N640-H642 PolarHBondContact O-N 3.33Å; N640-H642 PolarHBondContact O-ND1 2.98Å
643	G	95.6	Very high	93.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	177.2	177.6	0	0	0	0	0	112	L610 F611	L610-G643 WeakPolarHBondContact CA-O 3.38Å; F611-G643 VanDerWaalsContact CD1-O 3.3Å; F611-G643 WeakPolarHBondContact CD1-O 3.34Å; F611-G643 PolarHBondContact N-O 3.38Å; F611-G643 PolarHBondContact O-N 3.4Å
644	V	96.3	Very high	93.9	Very high	16 Å²	16	20.3 Å²	20.3	10%	0.097	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.6	177.4	-174.7	0	0	0	0	109.5	L565 S566 H567 E609	L565-V644 CarbonylContact C-O 3.43Å; L565-V644 WeakPolarHBondContact CB-O 3.41Å; S566-V644 PolarHBondContact N-O 3.31Å; H567-V644 HydrophobicContact CB-CB 3.9Å; H567-V644 HydrophobicContact CB-CG2 3.96Å; H567-V644 PolarHBondContact N-O 3.46Å; H567-V644 PolarHBondContact O-N 2.98Å; E609-V644 WeakPolarHBondContact O-CA 3.36Å
645	T	94.4	Very high	94	Very high	25 Å²	25	20.3 Å²	20.3	15%	0.153	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	154.7	175.6	56.2	0	0	0	0	111.4	S566 G608 E609 F611 V647	S566-T645 VanDerWaalsContact CB-O 3.22Å; S566-T645 WeakPolarHBondContact CB-O 3.37Å; G608-T645 WeakPolarHBondContact CA-O 3.41Å; G608-T645 PolarHBondContact N-O 3.27Å; G608-T645 PolarHBondContact N-OG1 3.47Å; E609-T645 HydrophobicContact CB-CG2 4.49Å; E609-T645 WeakPolarHBondContact CB-OG1 3.4Å; E609-T645 PolarHBondContact N-OG1 3.31Å; E609-T645 PolarHBondContact O-N 3.33Å; E609-T645 PolarHBondContact O-OG1 2.93Å; F611-T645 HydrophobicContact CD1-CG2 3.88Å; F611-T645 HydrophobicContact CE1-CG2 4.12Å; T645-V647 PolarHBondContact O-N 3.01Å
646	A	92.3	Very high	94.2	Very high	12 Å²	12	20.6 Å²	20.6	10%	0.099	11%	0.108	C	C	.	.			trans	-50.1	137.2	177.6	0	0	0	0	0	112.8	E494 G607 G608 T648	E494-A646 WeakPolarHBondContact OE1-CA 3.36Å; G607-A646 VanDerWaalsContact CA-O 3.31Å; G607-A646 WeakPolarHBondContact CA-O 3.28Å; G608-A646 PolarHBondContact N-O 3.31Å; A646-T648 HydrophobicContact CB-CG2 4.29Å
647	V	93.5	Very high	94.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	113.6	164	-177.2	0	0	0	0	107.2	E494 R552 A554 Q559 R562 T645 R652	E494-V647 HydrophobicContact CG-CB 4.48Å; E494-V647 PolarHBondContact OE1-N 3.44Å; R552-V647 HydrophobicContact CB-CG2 4.17Å; A554-V647 HydrophobicContact CB-CG1 4.37Å; Q559-V647 PolarHBondContact OE1-O 2.98Å; R562-V647 PolarHBondContact NH1-O 3.25Å; T645-V647 PolarHBondContact O-N 3.01Å; V647-R652 HydrophobicContact CG2-CB 4.05Å
648	T	91.5	Very high	94.8	Very high	49 Å²	49	22.1 Å²	22.1	30%	0.301	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-22.4	-172.8	53.3	0	0	0	0	113	Q559 D606 A646	Q559-T648 VanDerWaalsContact CG-O 3.3Å; Q559-T648 WeakPolarHBondContact CG-O 3.36Å; D606-T648 WeakPolarHBondContact CB-OG1 3.49Å; D606-T648 PolarHBondContact O-N 3.49Å; D606-T648 PolarHBondContact O-OG1 2.96Å; A646-T648 HydrophobicContact CB-CG2 4.29Å
649	R	93.1	Very high	95.3	Very high	157 Å²	157	21.8 Å²	21.8	59%	0.592	11%	0.111	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.7	174.2	-171.7	173.9	70	-132.4	1.3	110.7	F605 D606	F605-R649 CarbonylContact C-O 3.51Å; F605-R649 VanDerWaalsContact CA-O 3.26Å; F605-R649 WeakPolarHBondContact CA-O 3.49Å; F605-R649 WeakPolarHBondContact CB-O 3.15Å; D606-R649 HydrophobicContact CB-CB 3.97Å; D606-R649 PolarHBondContact N-O 3.45Å; D606-R649 IonicContact OD1-CZ 3.04Å; D606-R649 IonicContact OD1-NE 3.45Å; D606-R649 IonicContact OD1-NH2 3.1Å; D606-R649 PolarHBondContact OD1-NH2 3.25Å; D606-R649 IonicContact OD2-CZ 2.93Å; D606-R649 IonicContact OD2-NE 3.39Å; D606-R649 IonicContact OD2-NH1 2.79Å; D606-R649 PolarHBondContact OD2-NH1 3.21Å; D606-R649 IonicContact OD2-NH2 3.16Å; D606-R649 PolarHBondContact OD2-NH2 3.15Å
650	G	94	Very high	95.4	Very high	36 Å²	36	20.6 Å²	20.6	37%	0.371	10%	0.104	S	C	.	.	S	Bend	trans	85	-163.2	174.1	0	0	0	0	0	113.4	A554	A554-G650 PolarHBondContact N-O 3.05Å
651	R	95.8	Very high	95.2	Very high	64 Å²	64	24.1 Å²	24.1	24%	0.242	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.2	-179.4	-177.4	173.8	91.3	-173.8	3.4	109.5	T474 C551 R552 S553 N602 C653	T474-R651 PolarHBondContact OG1-NH1 3.32Å; T474-R651 PolarHBondContact OG1-NH2 2.91Å; C551-R651 HydrophobicContact CB-CG 4.26Å; R552-R651 CarbonylContact O-C 3.57Å; R552-R651 VanDerWaalsContact O-CA 3.3Å; R552-R651 WeakPolarHBondContact O-CA 3.46Å; S553-R651 WeakPolarHBondContact OG-CD 3.49Å; S553-R651 WeakPolarHBondContact OG-CG 3.4Å; N602-R651 PolarHBondContact ND2-O 3.32Å; R651-C653 PolarHBondContact NE-SG 3.09Å; R651-C653 VanDerWaalsContact NE-SG 3.42Å
652	R	97.1	Very high	94.9	Very high	16 Å²	16	28.7 Å²	28.7	6%	0.06	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.4	174.1	171	179.3	-173.1	-81.3	24	109.7	C551 R552 Y600 F605 G608 V647	C551-R652 CarbonylContact C-O 3.55Å; C551-R652 VanDerWaalsContact CA-O 3.24Å; C551-R652 WeakPolarHBondContact CA-O 3.3Å; R552-R652 PolarHBondContact N-O 3.18Å; R552-R652 PolarHBondContact O-N 2.96Å; Y600-R652 VanDerWaalsContact CE1-NH2 3.26Å; Y600-R652 PolarHBondContact OH-NH2 3.35Å; F605-R652 HydrophobicContact CD1-CB 3.9Å; F605-R652 HydrophobicContact CD1-CG 4.48Å; F605-R652 HydrophobicContact CD2-CB 3.99Å; F605-R652 HydrophobicContact CE1-CB 3.67Å; F605-R652 HydrophobicContact CE1-CG 3.76Å; F605-R652 HydrophobicContact CE2-CB 3.79Å; F605-R652 HydrophobicContact CE2-CG 3.82Å; F605-R652 HydrophobicContact CG-CB 4.03Å; F605-R652 HydrophobicContact CZ-CB 3.6Å; F605-R652 HydrophobicContact CZ-CG 3.37Å; G608-R652 PolarHBondContact O-NE 3.42Å; G608-R652 PolarHBondContact O-NH2 3.48Å; V647-R652 HydrophobicContact CG2-CB 4.05Å
653	C	98	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.8	174.5	-63.7	0	0	0	0	111.3	L470 V550 C551 L601 N602 R651	L470-C653 HydrophobicContact CD2-CB 3.65Å; V550-C653 CarbonylContact O-C 3.51Å; V550-C653 VanDerWaalsContact O-CA 3.31Å; V550-C653 WeakPolarHBondContact O-CA 3.48Å; C551-C653 HydrophobicContact CB-CB 4.21Å; C551-C653 WeakPolarHBondContact CB-SG 3.32Å; C551-C653 WeakPolarHBondContact SG-CB 3.42Å; C551-C653 CovalentContact SG-SG 2.05Å; C551-C653 PolarHBondContact SG-SG 3.4Å; L601-C653 HydrophobicContact CB-CB 4.23Å; L601-C653 WeakPolarHBondContact CB-O 3.43Å; L601-C653 HydrophobicContact CD1-CB 3.93Å; L601-C653 PolarHBondContact N-O 3.49Å; L601-C653 VanDerWaalsContact N-O 3.08Å; N602-C653 PolarHBondContact OD1-N 2.97Å; N602-C653 PolarHBondContact OD1-O 2.9Å; R651-C653 PolarHBondContact NE-SG 3.09Å; R651-C653 VanDerWaalsContact NE-SG 3.42Å
654	A	98.1	Very high	94.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.3	178.6	0	0	0	0	0	110.7	V550 I598 L599 Y600	V550-A654 WeakPolarHBondContact CG2-O 3.48Å; V550-A654 PolarHBondContact N-O 3.07Å; V550-A654 PolarHBondContact O-N 3.37Å; I598-A654 HydrophobicContact CG2-CB 3.8Å; L599-A654 CarbonylContact O-C 3.17Å; L599-A654 VanDerWaalsContact O-CA 3.23Å; L599-A654 WeakPolarHBondContact O-CA 3.14Å; Y600-A654 HydrophobicContact CD1-CB 3.85Å; Y600-A654 HydrophobicContact CE1-CB 4.16Å
655	L	98.1	Very high	94.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.9	167.3	-171	66.5	0	0	0	108.4	L521 L524 T547 L549 I598 L599 L657	L521-L655 HydrophobicContact CD1-CD1 3.72Å; L521-L655 HydrophobicContact CD1-CD2 4.43Å; L524-L655 HydrophobicContact CB-CD2 4.07Å; T547-L655 HydrophobicContact CG2-CD1 3.55Å; T547-L655 HydrophobicContact CG2-CD2 4.34Å; T547-L655 HydrophobicContact CG2-CG 4.07Å; L549-L655 HydrophobicContact CB-CD1 3.95Å; I598-L655 WeakPolarHBondContact CA-O 3.28Å; L599-L655 HydrophobicContact CB-CB 4.2Å; L599-L655 PolarHBondContact N-O 3.46Å; L599-L655 PolarHBondContact O-N 2.84Å; L655-L657 HydrophobicContact CD2-CD1 4.03Å; L655-L657 HydrophobicContact CD2-CG 4.38Å; L655-L657 HydrophobicContact CG-CD1 4.17Å; L655-L657 HydrophobicContact CG-CG 4.17Å
656	A	97.6	Very high	94	Very high	5 Å²	5	45.9 Å²	45.9	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.1	173.8	0	0	0	0	0	109.9	H548 V550 I598 W658	H548-A656 PolarHBondContact N-O 2.94Å; H548-A656 PolarHBondContact O-N 2.88Å; V550-A656 HydrophobicContact CG2-CB 4.44Å; I598-A656 HydrophobicContact CD1-CB 3.81Å; A656-W658 HydrophobicContact CB-CH2 3.56Å; A656-W658 HydrophobicContact CB-CZ2 4.2Å; A656-W658 HydrophobicContact CB-CZ3 3.8Å
657	L	98.1	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.1	-172.7	-70.7	151	0	0	0	109.2	V528 T547 S596 A597 L655 F659	V528-L657 HydrophobicContact CB-CD1 3.73Å; V528-L657 HydrophobicContact CG1-CD1 3.68Å; V528-L657 HydrophobicContact CG2-CD1 3.79Å; T547-L657 HydrophobicContact CG2-CD2 3.62Å; T547-L657 HydrophobicContact CG2-CG 4.43Å; T547-L657 VanDerWaalsContact OG1-CD2 3.3Å; T547-L657 WeakPolarHBondContact OG1-CD2 2.93Å; S596-L657 CarbonylContact C-O 3.48Å; S596-L657 WeakPolarHBondContact CA-O 3.34Å; A597-L657 HydrophobicContact CB-CB 4.22Å; A597-L657 PolarHBondContact N-O 2.97Å; A597-L657 PolarHBondContact O-N 3.4Å; L655-L657 HydrophobicContact CD2-CD1 4.03Å; L655-L657 HydrophobicContact CD2-CG 4.38Å; L655-L657 HydrophobicContact CG-CD1 4.17Å; L655-L657 HydrophobicContact CG-CG 4.17Å; L657-F659 HydrophobicContact CB-CE2 3.82Å; L657-F659 HydrophobicContact CB-CZ 3.83Å
658	W	97.6	Very high	93.9	Very high	37 Å²	37	51.3 Å²	51.3	14%	0.14	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.6	173.3	-62.7	-86.6	0	0	0	109.9	S545 F546 H548 D572 R593 A656	S545-W658 PolarHBondContact N-O 3.25Å; F546-W658 HydrophobicContact CB-CE3 4.04Å; F546-W658 AromaticContact CD1-CE3 3.69Å; F546-W658 HydrophobicContact CD1-CE3 3.69Å; F546-W658 AromaticContact CD1-CZ3 3.5Å; F546-W658 HydrophobicContact CD1-CZ3 3.5Å; F546-W658 VanDerWaalsContact CD1-CZ3 3.5Å; F546-W658 HydrophobicContact CE1-CZ3 4.11Å; F546-W658 HydrophobicContact CG-CE3 4.33Å; F546-W658 PolarHBondContact N-O 3.49Å; F546-W658 PolarHBondContact O-N 2.85Å; H548-W658 HydrophobicContact CB-CZ3 4.24Å; D572-W658 VanDerWaalsContact CG-NE1 3.3Å; D572-W658 PolarHBondContact OD1-NE1 3.39Å; D572-W658 PolarHBondContact OD2-NE1 3.23Å; R593-W658 VanDerWaalsContact CD-CD1 3.49Å; R593-W658 HydrophobicContact CG-CB 4.24Å; A656-W658 HydrophobicContact CB-CH2 3.56Å; A656-W658 HydrophobicContact CB-CZ2 4.2Å; A656-W658 HydrophobicContact CB-CZ3 3.8Å
659	F	95.8	Very high	93.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.7	-176.4	-50.8	-92.1	0	0	0	111.6	V528 R529 L532 L542 F543 I544 D594 L595 A597 L657	V528-F659 HydrophobicContact CG1-CE2 4.39Å; V528-F659 HydrophobicContact CG1-CZ 3.94Å; R529-F659 HydrophobicContact CB-CD1 4.42Å; R529-F659 HydrophobicContact CB-CE1 3.67Å; R529-F659 HydrophobicContact CB-CZ 4.44Å; R529-F659 HydrophobicContact CG-CD1 3.99Å; R529-F659 HydrophobicContact CG-CE1 3.74Å; L532-F659 HydrophobicContact CD1-CE2 4.05Å; L542-F659 HydrophobicContact CD1-CB 3.62Å; L542-F659 HydrophobicContact CD1-CG 4.37Å; L542-F659 HydrophobicContact CD2-CD1 4.37Å; L542-F659 HydrophobicContact CG-CB 4.04Å; L542-F659 HydrophobicContact CG-CD1 4.26Å; L542-F659 HydrophobicContact CG-CG 4.37Å; F543-F659 CarbonylContact O-C 3.48Å; F543-F659 WeakPolarHBondContact O-CA 3.42Å; F543-F659 WeakPolarHBondContact O-CB 3.49Å; I544-F659 HydrophobicContact CB-CD1 4.5Å; I544-F659 HydrophobicContact CD1-CE1 4.49Å; I544-F659 HydrophobicContact CG1-CD1 3.83Å; I544-F659 HydrophobicContact CG1-CE1 3.52Å; D594-F659 PolarHBondContact N-O 3.06Å; L595-F659 HydrophobicContact CB-CB 4.13Å; L595-F659 HydrophobicContact CB-CD2 3.91Å; L595-F659 HydrophobicContact CB-CG 4.4Å; L595-F659 PolarHBondContact N-O 2.93Å; L595-F659 PolarHBondContact O-N 2.71Å; A597-F659 HydrophobicContact CB-CE2 3.96Å; L657-F659 HydrophobicContact CB-CE2 3.82Å; L657-F659 HydrophobicContact CB-CZ 3.83Å
660	T	92.2	Very high	93.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.1	178.9	-175.4	0	0	0	0	110.8	F543 H592 D594 E662	F543-T660 HydrophobicContact CB-CG2 4.1Å; F543-T660 PolarHBondContact N-O 2.85Å; F543-T660 PolarHBondContact O-N 3.46Å; H592-T660 WeakPolarHBondContact O-CB 3.1Å; H592-T660 PolarHBondContact O-OG1 3.32Å; D594-T660 WeakPolarHBondContact OD2-CA 3.39Å; T660-E662 VanDerWaalsContact C-N 3.29Å; T660-E662 VanDerWaalsContact CG2-O 3.27Å; T660-E662 WeakPolarHBondContact CG2-O 3.28Å; T660-E662 PolarHBondContact OG1-N 3.06Å; T660-E662 VanDerWaalsContact OG1-N 3.11Å
661	K	89.1	Confident	93.5	Very high	76 Å²	76	48.2 Å²	48.2	33%	0.33	22%	0.217	S	C	.	.	S	Bend	trans	-77.9	-20.2	168.8	-66.3	177	-60.3	-158.2	0	111.7	S427 F429 P539 G541 D594	S427-K661 PolarHBondContact O-NZ 3.36Å; F429-K661 HydrophobicContact CZ-CD 4.39Å; F429-K661 HydrophobicContact CZ-CG 4.28Å; P539-K661 HydrophobicContact CG-CD 4.17Å; G541-K661 WeakPolarHBondContact O-CA 3.41Å; D594-K661 HydrophobicContact CB-CG 4.39Å; D594-K661 WeakPolarHBondContact OD1-CE 3.33Å; D594-K661 IonicContact OD1-NZ 3.41Å; D594-K661 PolarHBondContact OD1-NZ 3.45Å; D594-K661 WeakPolarHBondContact OD2-CG 3.37Å; D594-K661 PolarHBondContact OD2-N 3.38Å
662	E	88.3	Confident	93.3	Very high	98 Å²	98	49.4 Å²	49.4	46%	0.458	23%	0.225	S	C	.	.			trans	-95.7	111.4	-172.7	-69.8	-174.5	-122.9	0	0	111.3	T660 L664 Y665	T660-E662 VanDerWaalsContact C-N 3.29Å; T660-E662 VanDerWaalsContact CG2-O 3.27Å; T660-E662 WeakPolarHBondContact CG2-O 3.28Å; T660-E662 PolarHBondContact OG1-N 3.06Å; T660-E662 VanDerWaalsContact OG1-N 3.11Å; E662-L664 PolarHBondContact O-N 2.83Å; E662-Y665 HydrophobicContact CB-CD2 3.77Å; E662-Y665 HydrophobicContact CB-CE2 4.4Å; E662-Y665 PolarHBondContact O-N 3.28Å; E662-Y665 WeakPolarHBondContact OE2-CE2 3.35Å
663	K	89.7	Confident	93	Very high	127 Å²	127	48.6 Å²	48.6	55%	0.552	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-54.2	-26.6	179.5	-171.4	179.2	176.8	-179.3	0	113.3	F543 Y665 R666	F543-K663 HydrophobicContact CD2-CB 4.27Å; F543-K663 HydrophobicContact CE1-CB 4.35Å; F543-K663 HydrophobicContact CE1-CG 4.08Å; F543-K663 HydrophobicContact CE2-CB 3.78Å; F543-K663 HydrophobicContact CE2-CG 4.41Å; F543-K663 HydrophobicContact CZ-CB 3.82Å; F543-K663 HydrophobicContact CZ-CD 4.39Å; F543-K663 HydrophobicContact CZ-CG 4.01Å; K663-Y665 PolarHBondContact O-N 3.39Å; K663-R666 VanDerWaalsContact O-CD 3.22Å; K663-R666 WeakPolarHBondContact O-CD 3.48Å; K663-R666 WeakPolarHBondContact O-CG 3.33Å; K663-R666 PolarHBondContact O-N 3Å; K663-R666 PolarHBondContact O-NH1 3.45Å
664	L	91.4	Very high	92.8	Very high	131 Å²	131	52.1 Å²	52.1	69%	0.686	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-61.7	-32.6	179	-177	63	0	0	0	112.4	E662	E662-L664 PolarHBondContact O-N 2.83Å
665	Y	89.8	Confident	92.4	Very high	94 Å²	94	54.8 Å²	54.8	37%	0.369	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-99.8	19.2	-175.7	-61.4	-74.8	0	0	0	113.7	S545 H592 E662 K663	S545-Y665 WeakPolarHBondContact CA-O 3.42Å; S545-Y665 WeakPolarHBondContact CB-O 3.26Å; S545-Y665 PolarHBondContact OG-O 2.85Å; H592-Y665 HydrophobicContact CB-CD1 4.12Å; H592-Y665 HydrophobicContact CB-CD2 3.45Å; H592-Y665 VanDerWaalsContact CB-CD2 3.45Å; H592-Y665 HydrophobicContact CB-CE1 4.39Å; H592-Y665 HydrophobicContact CB-CE2 3.77Å; H592-Y665 HydrophobicContact CB-CG 3.65Å; H592-Y665 AromaticContact CD2-CG 3.82Å; H592-Y665 AromaticContact CG-CD1 3.72Å; H592-Y665 AromaticContact CG-CD2 3.94Å; H592-Y665 AromaticContact CG-CG 3.56Å; H592-Y665 AromaticContact ND1-CD1 3.71Å; H592-Y665 AromaticContact ND1-CE1 3.97Å; E662-Y665 HydrophobicContact CB-CD2 3.77Å; E662-Y665 HydrophobicContact CB-CE2 4.4Å; E662-Y665 PolarHBondContact O-N 3.28Å; E662-Y665 WeakPolarHBondContact OE2-CE2 3.35Å; K663-Y665 PolarHBondContact O-N 3.39Å
666	R	93	Very high	92	Very high	59 Å²	59	56.4 Å²	56.4	22%	0.223	27%	0.269	C	S	.	.	S	Bend	trans	-70	153	174.8	74.5	-167.1	-175.8	-65.2	-18.1	111.5	F543 I544 K663 M668 E671	F543-R666 HydrophobicContact CB-CB 3.92Å; F543-R666 HydrophobicContact CG-CB 4.43Å; I544-R666 WeakPolarHBondContact O-CA 3.46Å; K663-R666 VanDerWaalsContact O-CD 3.22Å; K663-R666 WeakPolarHBondContact O-CD 3.48Å; K663-R666 WeakPolarHBondContact O-CG 3.33Å; K663-R666 PolarHBondContact O-N 3Å; K663-R666 PolarHBondContact O-NH1 3.45Å; R666-M668 PolarHBondContact O-N 2.94Å; R666-E671 IonicContact CZ-OE1 3.64Å; R666-E671 IonicContact CZ-OE2 3.18Å; R666-E671 IonicContact NE-OE1 3.57Å; R666-E671 PolarHBondContact NE-OE1 3.48Å; R666-E671 IonicContact NE-OE2 2.73Å; R666-E671 PolarHBondContact NE-OE2 2.77Å; R666-E671 IonicContact NH2-OE1 2.76Å; R666-E671 PolarHBondContact NH2-OE1 2.73Å; R666-E671 IonicContact NH2-OE2 3.48Å; R666-E671 PolarHBondContact NH2-OE2 2.66Å
667	D	93.6	Very high	91.5	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.08	27%	0.273	C	S	.	.			trans	-65.3	101	-179.2	-169.3	-24.7	0	0	0	111.3	I544 S545 T547 E669 R670 E671	I544-D667 HydrophobicContact CG2-CB 4.33Å; I544-D667 WeakPolarHBondContact O-CB 3.22Å; I544-D667 PolarHBondContact O-N 3.07Å; S545-D667 WeakPolarHBondContact O-CA 3.46Å; S545-D667 WeakPolarHBondContact O-CB 3.4Å; T547-D667 PolarHBondContact N-OD2 2.87Å; D667-E669 VanDerWaalsContact C-N 3.35Å; D667-E669 WeakPolarHBondContact OD1-CB 3.38Å; D667-E669 PolarHBondContact OD1-N 3Å; D667-R670 HydrophobicContact CB-CB 3.82Å; D667-R670 WeakPolarHBondContact O-CB 3.26Å; D667-R670 PolarHBondContact O-N 3.18Å; D667-R670 PolarHBondContact OD1-N 3.3Å; D667-E671 PolarHBondContact O-N 3.38Å
668	M	90.7	Very high	90.9	Very high	111 Å²	111	60.4 Å²	60.4	55%	0.547	29%	0.294	S	S	.	.	H	α-helix	trans	-71.2	-29.1	179.1	-67.1	-62.4	-53.1	0	0	112.5	R666 R670 E671 E672	R666-M668 PolarHBondContact O-N 2.94Å; M668-R670 VanDerWaalsContact C-N 3.25Å; M668-R670 PolarHBondContact O-N 2.95Å; M668-E671 PolarHBondContact O-N 3.47Å; M668-E672 PolarHBondContact O-N 3.42Å; M668-E672 VanDerWaalsContact O-N 3.07Å
669	E	88.7	Confident	90	Very high	83 Å²	83	61.2 Å²	61.2	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-34.8	175.8	-68.4	-163.4	167.4	0	0	110.8	T500 L502 D667 E672 A673	T500-E669 PolarHBondContact OG1-OE2 3.38Å; L502-E669 HydrophobicContact CB-CB 3.91Å; L502-E669 HydrophobicContact CD2-CB 3.85Å; L502-E669 HydrophobicContact CD2-CG 3.93Å; D667-E669 VanDerWaalsContact C-N 3.35Å; D667-E669 WeakPolarHBondContact OD1-CB 3.38Å; D667-E669 PolarHBondContact OD1-N 3Å; E669-E672 PolarHBondContact O-N 2.98Å; E669-A673 PolarHBondContact O-N 3.34Å
670	R	91.3	Very high	88.7	Confident	19 Å²	19	63.9 Å²	63.9	7%	0.072	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-42.4	173.6	-169.8	176.7	-165.4	-98.7	10.7	112.9	I501 H522 E526 D667 M668 E672 A673 E674	I501-R670 HydrophobicContact CD1-CG 4.14Å; H522-R670 VanDerWaalsContact CD2-CZ 3.49Å; H522-R670 PolarHBondContact CD2-NE 3.09Å; H522-R670 PolarHBondContact CE1-NH2 2.91Å; H522-R670 PolarHBondContact NE2-NE 3Å; H522-R670 PolarHBondContact NE2-NH1 3.47Å; H522-R670 PolarHBondContact NE2-NH2 2.98Å; H522-R670 VanDerWaalsContact NE2-NH2 3.18Å; H522-R670 PolarHBondContact O-NH2 3.28Å; E526-R670 VanDerWaalsContact CG-NH2 3.28Å; E526-R670 IonicContact OE1-CZ 2.9Å; E526-R670 IonicContact OE1-NH1 2.71Å; E526-R670 PolarHBondContact OE1-NH1 3.33Å; E526-R670 IonicContact OE1-NH2 3.27Å; E526-R670 PolarHBondContact OE1-NH2 3.5Å; D667-R670 HydrophobicContact CB-CB 3.82Å; D667-R670 WeakPolarHBondContact O-CB 3.26Å; D667-R670 PolarHBondContact O-N 3.18Å; D667-R670 PolarHBondContact OD1-N 3.3Å; M668-R670 VanDerWaalsContact C-N 3.25Å; M668-R670 PolarHBondContact O-N 2.95Å; R670-E672 VanDerWaalsContact C-N 3.3Å; R670-E672 PolarHBondContact O-N 3.2Å; R670-A673 WeakPolarHBondContact O-CB 3.37Å; R670-A673 PolarHBondContact O-N 3.03Å; R670-E674 IonicContact CZ-OE1 3.71Å; R670-E674 IonicContact NE-OE1 3.51Å; R670-E674 IonicContact NH1-OE1 3.29Å; R670-E674 PolarHBondContact NH1-OE1 3.16Å; R670-E674 WeakPolarHBondContact O-CG 3.39Å; R670-E674 PolarHBondContact O-N 3.3Å
671	E	89.6	Confident	87.5	Confident	76 Å²	76	65.5 Å²	65.5	36%	0.355	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-38	174.5	-68.4	-167.1	154.2	0	0	111.4	R666 D667 M668 E674 A675	R666-E671 IonicContact CZ-OE1 3.64Å; R666-E671 IonicContact CZ-OE2 3.18Å; R666-E671 IonicContact NE-OE1 3.57Å; R666-E671 PolarHBondContact NE-OE1 3.48Å; R666-E671 IonicContact NE-OE2 2.73Å; R666-E671 PolarHBondContact NE-OE2 2.77Å; R666-E671 IonicContact NH2-OE1 2.76Å; R666-E671 PolarHBondContact NH2-OE1 2.73Å; R666-E671 IonicContact NH2-OE2 3.48Å; R666-E671 PolarHBondContact NH2-OE2 2.66Å; D667-E671 PolarHBondContact O-N 3.38Å; M668-E671 PolarHBondContact O-N 3.47Å; E671-E674 PolarHBondContact O-N 3.17Å; E671-A675 WeakPolarHBondContact O-CB 3.4Å; E671-A675 PolarHBondContact O-N 3.35Å
672	E	91.5	Very high	86.1	Confident	88 Å²	88	67.9 Å²	67.9	41%	0.411	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-47	173.1	-174	-179.3	145.6	0	0	110.9	L502 K506 M668 E669 R670 E674 A675 M676	L502-E672 HydrophobicContact CD1-CB 4.02Å; L502-E672 HydrophobicContact CD1-CG 3.77Å; L502-E672 HydrophobicContact CD2-CB 4.39Å; L502-E672 HydrophobicContact CD2-CG 4.36Å; K506-E672 IonicContact NZ-OE1 2.78Å; K506-E672 PolarHBondContact NZ-OE1 2.93Å; M668-E672 PolarHBondContact O-N 3.42Å; M668-E672 VanDerWaalsContact O-N 3.07Å; E669-E672 PolarHBondContact O-N 2.98Å; R670-E672 VanDerWaalsContact C-N 3.3Å; R670-E672 PolarHBondContact O-N 3.2Å; E672-E674 VanDerWaalsContact C-N 3.33Å; E672-E674 PolarHBondContact O-N 3.29Å; E672-A675 WeakPolarHBondContact O-CB 3.44Å; E672-A675 PolarHBondContact O-N 3.2Å; E672-A675 VanDerWaalsContact O-N 3.17Å; E672-M676 VanDerWaalsContact O-CG 3.3Å; E672-M676 WeakPolarHBondContact O-CG 3.29Å; E672-M676 PolarHBondContact O-N 2.97Å
673	A	91.7	Very high	84.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.1	-42.1	177.7	0	0	0	0	0	112.5	I501 L502 V505 E669 R670 M676 W677	I501-A673 HydrophobicContact CG2-CB 3.93Å; L502-A673 HydrophobicContact CD1-CB 4.23Å; V505-A673 HydrophobicContact CB-CB 4.37Å; V505-A673 HydrophobicContact CG2-CB 3.97Å; E669-A673 PolarHBondContact O-N 3.34Å; R670-A673 WeakPolarHBondContact O-CB 3.37Å; R670-A673 PolarHBondContact O-N 3.03Å; A673-M676 WeakPolarHBondContact O-CB 3.39Å; A673-M676 PolarHBondContact O-N 3.07Å; A673-W677 PolarHBondContact O-N 2.96Å
674	E	92.5	Very high	82.8	Confident	73 Å²	73	62.2 Å²	62.2	34%	0.341	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-41.2	175.2	-71.6	169.8	-166.9	0	0	112.3	H522 R670 E671 E672 M676 W677 A678	H522-E674 IonicContact CD2-OE1 2.91Å; H522-E674 IonicContact CE1-OE1 2.81Å; H522-E674 WeakPolarHBondContact NE2-CG 3.31Å; H522-E674 IonicContact NE2-OE1 3.96Å; H522-E674 PolarHBondContact NE2-OE1 3.47Å; R670-E674 IonicContact CZ-OE1 3.71Å; R670-E674 IonicContact NE-OE1 3.51Å; R670-E674 IonicContact NH1-OE1 3.29Å; R670-E674 PolarHBondContact NH1-OE1 3.16Å; R670-E674 WeakPolarHBondContact O-CG 3.39Å; R670-E674 PolarHBondContact O-N 3.3Å; E671-E674 PolarHBondContact O-N 3.17Å; E672-E674 VanDerWaalsContact C-N 3.33Å; E672-E674 PolarHBondContact O-N 3.29Å; E674-M676 VanDerWaalsContact C-N 3.31Å; E674-M676 PolarHBondContact O-N 3.07Å; E674-W677 PolarHBondContact O-N 3.06Å; E674-A678 PolarHBondContact O-N 3.35Å
675	A	90.9	Very high	81	Confident	58 Å²	58	61.1 Å²	61.1	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-35.8	176.2	0	0	0	0	0	112.2	E671 E672 A678 A679	E671-A675 WeakPolarHBondContact O-CB 3.4Å; E671-A675 PolarHBondContact O-N 3.35Å; E672-A675 WeakPolarHBondContact O-CB 3.44Å; E672-A675 PolarHBondContact O-N 3.2Å; E672-A675 VanDerWaalsContact O-N 3.17Å; A675-A678 PolarHBondContact O-N 2.9Å; A675-A679 WeakPolarHBondContact O-CB 3.12Å; A675-A679 PolarHBondContact O-N 2.95Å
676	M	89.1	Confident	79.2	Confident	34 Å²	34	63 Å²	63	17%	0.167	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-45.4	174.9	-66.4	176.4	94	0	0	111.3	L502 V505 K506 E672 A673 E674 A678 A679 D680	L502-M676 HydrophobicContact CD1-SD 3.78Å; V505-M676 HydrophobicContact CG1-CB 4.19Å; V505-M676 HydrophobicContact CG1-SD 4.05Å; K506-M676 HydrophobicContact CG-CE 3.97Å; K506-M676 HydrophobicContact CG-SD 4.34Å; E672-M676 VanDerWaalsContact O-CG 3.3Å; E672-M676 WeakPolarHBondContact O-CG 3.29Å; E672-M676 PolarHBondContact O-N 2.97Å; A673-M676 WeakPolarHBondContact O-CB 3.39Å; A673-M676 PolarHBondContact O-N 3.07Å; E674-M676 VanDerWaalsContact C-N 3.31Å; E674-M676 PolarHBondContact O-N 3.07Å; M676-A678 PolarHBondContact O-N 3.15Å; M676-A679 PolarHBondContact O-N 3.46Å; M676-D680 PolarHBondContact O-N 3.26Å
677	W	87.9	Confident	77	Confident	36 Å²	36	67 Å²	67	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-65.1	-37.6	175.2	-68.3	-33.1	0	0	0	113.2	V505 R519 H522 A673 E674 D680 G681	V505-W677 HydrophobicContact CG2-CH2 3.93Å; V505-W677 HydrophobicContact CG2-CZ2 3.27Å; R519-W677 HydrophobicContact CG-CH2 4.22Å; R519-W677 HydrophobicContact CG-CZ2 3.78Å; H522-W677 HydrophobicContact CB-CH2 3.55Å; H522-W677 HydrophobicContact CB-CZ3 3.96Å; H522-W677 AromaticContact CD2-CZ3 3.68Å; H522-W677 AromaticContact CG-CH2 3.82Å; H522-W677 AromaticContact CG-CZ3 3.67Å; A673-W677 PolarHBondContact O-N 2.96Å; E674-W677 PolarHBondContact O-N 3.06Å; W677-D680 PolarHBondContact O-N 3.01Å; W677-G681 PolarHBondContact O-N 3.18Å
678	A	84.9	Confident	75	Confident	53 Å²	53	70.5 Å²	70.5	44%	0.438	39%	0.385	S	S	.	.	H	α-helix	trans	-65.2	-40	176.3	0	0	0	0	0	112	E674 A675 M676 G681 Q682	E674-A678 PolarHBondContact O-N 3.35Å; A675-A678 PolarHBondContact O-N 2.9Å; M676-A678 PolarHBondContact O-N 3.15Å; A678-G681 PolarHBondContact O-N 3.39Å; A678-Q682 WeakPolarHBondContact O-CG 3.44Å; A678-Q682 PolarHBondContact O-N 2.98Å
679	A	78.2	Confident	73.1	Confident	55 Å²	55	71.1 Å²	71.1	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-42.6	175.7	0	0	0	0	0	112	A675 M676 G681 Q682 S683	A675-A679 WeakPolarHBondContact O-CB 3.12Å; A675-A679 PolarHBondContact O-N 2.95Å; M676-A679 PolarHBondContact O-N 3.46Å; A679-G681 VanDerWaalsContact C-N 3.33Å; A679-G681 PolarHBondContact O-N 2.95Å; A679-Q682 PolarHBondContact O-N 3.45Å; A679-S683 PolarHBondContact O-N 3.4Å
680	D	69.6	Low	71.3	Confident	55 Å²	55	72.9 Å²	72.9	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-61.2	-42.7	175.7	-73.2	-15	0	0	0	111	Q509 M676 W677 S683 A684	Q509-D680 PolarHBondContact NE2-OD1 2.87Å; Q509-D680 PolarHBondContact NE2-OD2 2.97Å; M676-D680 PolarHBondContact O-N 3.26Å; W677-D680 PolarHBondContact O-N 3.01Å; D680-S683 PolarHBondContact O-N 3.26Å; D680-S683 PolarHBondContact O-OG 2.82Å; D680-A684 PolarHBondContact O-N 2.94Å
681	G	65.4	Low	69.3	Low	35 Å²	35	78 Å²	78	36%	0.361	42%	0.419	S	S	.	.	H	α-helix	trans	-62.6	-40.6	175.3	0	0	0	0	0	113.7	W677 A678 A679 S683 A684 L685	W677-G681 PolarHBondContact O-N 3.18Å; A678-G681 PolarHBondContact O-N 3.39Å; A679-G681 VanDerWaalsContact C-N 3.33Å; A679-G681 PolarHBondContact O-N 2.95Å; G681-S683 VanDerWaalsContact C-N 3.33Å; G681-A684 PolarHBondContact O-N 3.47Å; G681-L685 VanDerWaalsContact O-CG 3.31Å; G681-L685 WeakPolarHBondContact O-CG 3.49Å; G681-L685 PolarHBondContact O-N 3.36Å; G681-L685 VanDerWaalsContact O-N 3.07Å
682	Q	59.7	Low	67.3	Low	125 Å²	125	81.5 Å²	81.5	58%	0.584	44%	0.435	S	S	*	.	H	α-helix	trans	-69.4	-29.5	174.4	-71.9	178	13.6	0	0	112.8	A678 A679 K686	A678-Q682 WeakPolarHBondContact O-CG 3.44Å; A678-Q682 PolarHBondContact O-N 2.98Å; A679-Q682 PolarHBondContact O-N 3.45Å; Q682-K686 WeakPolarHBondContact O-CG 3.41Å; Q682-K686 PolarHBondContact O-N 3.39Å; Q682-K686 VanDerWaalsContact O-N 3.17Å
683	S	56	Low	65.3	Low	61 Å²	61	85.2 Å²	85.2	43%	0.427	45%	0.453	S	S	.	.	H	α-helix	trans	-75.2	-33.2	176	78.8	0	0	0	0	113	A679 D680 G681 K687	A679-S683 PolarHBondContact O-N 3.4Å; D680-S683 PolarHBondContact O-N 3.26Å; D680-S683 PolarHBondContact O-OG 2.82Å; G681-S683 VanDerWaalsContact C-N 3.33Å; S683-K687 PolarHBondContact O-N 3.41Å
684	A	54	Low	63.2	Low	46 Å²	46	93.1 Å²	93.1	38%	0.38	49%	0.487	S	S	.	.	H	α-helix	trans	-68.8	-46	172.7	0	0	0	0	0	111.1	D680 G681 K686 K687 D688	D680-A684 PolarHBondContact O-N 2.94Å; G681-A684 PolarHBondContact O-N 3.47Å; A684-K686 VanDerWaalsContact C-N 3.29Å; A684-K686 PolarHBondContact O-N 2.96Å; A684-K687 WeakPolarHBondContact O-CB 3.38Å; A684-K687 PolarHBondContact O-N 3.02Å; A684-D688 VanDerWaalsContact O-CG 3.31Å; A684-D688 PolarHBondContact O-N 3.18Å
685	L	53	Low	61	Low	108 Å²	108	98.3 Å²	98.3	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-59.8	-37.5	175.4	-71.5	167.1	0	0	0	112.7	G681 D688 E689	G681-L685 VanDerWaalsContact O-CG 3.31Å; G681-L685 WeakPolarHBondContact O-CG 3.49Å; G681-L685 PolarHBondContact O-N 3.36Å; G681-L685 VanDerWaalsContact O-N 3.07Å; L685-D688 PolarHBondContact O-N 3.32Å; L685-E689 WeakPolarHBondContact O-CB 3.38Å; L685-E689 VanDerWaalsContact O-CG 3.29Å; L685-E689 WeakPolarHBondContact O-CG 3.41Å; L685-E689 PolarHBondContact O-N 2.87Å
686	K	51.1	Low	58.5	Low	132 Å²	132	98.7 Å²	98.7	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-68.6	-31.6	173.8	-78.8	177.7	179.5	174.7	0	113.6	Q682 A684 E690	Q682-K686 WeakPolarHBondContact O-CG 3.41Å; Q682-K686 PolarHBondContact O-N 3.39Å; Q682-K686 VanDerWaalsContact O-N 3.17Å; A684-K686 VanDerWaalsContact C-N 3.29Å; A684-K686 PolarHBondContact O-N 2.96Å; K686-E690 WeakPolarHBondContact O-CB 3.45Å; K686-E690 WeakPolarHBondContact O-CG 3.29Å; K686-E690 PolarHBondContact O-N 2.89Å
687	K	47.9	Very low	56.1	Low	144 Å²	144	100.5 Å²	100.5	63%	0.626	55%	0.548	S	S	*	.	H	α-helix	trans	-72	-39.1	173.2	-84.5	-178.9	175.2	176.6	0	111.5	S683 A684 E690 E691	S683-K687 PolarHBondContact O-N 3.41Å; A684-K687 WeakPolarHBondContact O-CB 3.38Å; A684-K687 PolarHBondContact O-N 3.02Å; K687-E690 PolarHBondContact O-N 2.99Å; K687-E691 WeakPolarHBondContact O-CG 3.44Å; K687-E691 PolarHBondContact O-N 3.24Å
688	D	50.2	Low	53.5	Low	89 Å²	89	102.6 Å²	102.6	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-67.9	-38.9	176.1	-62.6	-21.4	0	0	0	110.9	A684 L685 E691 E692	A684-D688 VanDerWaalsContact O-CG 3.31Å; A684-D688 PolarHBondContact O-N 3.18Å; L685-D688 PolarHBondContact O-N 3.32Å; D688-E691 PolarHBondContact O-N 2.86Å; D688-E692 PolarHBondContact O-N 3.3Å
689	E	51.5	Low	51	Low	124 Å²	124	106.5 Å²	106.5	58%	0.579	59%	0.592	S	S	*	*	H	α-helix	trans	-65.2	-38	171.8	-75.8	175.9	174.2	0	0	112.5	L685 E693	L685-E689 WeakPolarHBondContact O-CB 3.38Å; L685-E689 VanDerWaalsContact O-CG 3.29Å; L685-E689 WeakPolarHBondContact O-CG 3.41Å; L685-E689 PolarHBondContact O-N 2.87Å; E689-E693 PolarHBondContact O-N 3.04Å
690	E	50.8	Low	48.8	Very low	120 Å²	120	110.7 Å²	110.7	56%	0.561	61%	0.611	S	S	*	*	H	α-helix	trans	-72.6	-23.5	174.3	-80.8	-176.1	-177.1	0	0	113.5	K686 K687 K694	K686-E690 WeakPolarHBondContact O-CB 3.45Å; K686-E690 WeakPolarHBondContact O-CG 3.29Å; K686-E690 PolarHBondContact O-N 2.89Å; K687-E690 PolarHBondContact O-N 2.99Å; E690-K694 WeakPolarHBondContact O-CG 3.46Å
691	E	49.5	Very low	46.9	Very low	127 Å²	127	111.2 Å²	111.2	59%	0.593	63%	0.63	S	S	*	*	H	α-helix	trans	-82.4	-38.1	172.3	-76.5	-173.3	174.9	0	0	111.7	K687 D688 K694 E695	K687-E691 WeakPolarHBondContact O-CG 3.44Å; K687-E691 PolarHBondContact O-N 3.24Å; D688-E691 PolarHBondContact O-N 2.86Å; E691-K694 PolarHBondContact O-N 3.15Å; E691-K694 VanDerWaalsContact O-N 3.15Å; E691-E695 PolarHBondContact O-N 2.94Å
692	E	47.8	Very low	45.3	Very low	149 Å²	149	121.1 Å²	121.1	70%	0.696	66%	0.657	S	S	*	*	H	α-helix	trans	-65.8	-36	171.4	-79.3	-168.8	158.2	0	0	112.5	D688 K694 E695 G696	D688-E692 PolarHBondContact O-N 3.3Å; E692-K694 PolarHBondContact O-N 3.34Å; E692-E695 PolarHBondContact O-N 3.1Å; E692-G696 PolarHBondContact O-N 3.29Å; E692-G696 VanDerWaalsContact O-N 3.1Å
693	E	49.5	Very low	43.8	Very low	165 Å²	165	122.6 Å²	122.6	77%	0.771	67%	0.669	S	S	*	*	H	α-helix	trans	-66.9	-22	172.6	-85.9	-163.3	157.9	0	0	113.3	E689	E689-E693 PolarHBondContact O-N 3.04Å
694	K	48.1	Very low	42.6	Very low	166 Å²	166	124.3 Å²	124.3	72%	0.722	69%	0.686	S	S	*	*	H	α-helix	trans	-84.3	-23.7	175	-77.5	174.8	-174.7	159.6	0	113.4	E690 E691 E692	E690-K694 WeakPolarHBondContact O-CG 3.46Å; E691-K694 PolarHBondContact O-N 3.15Å; E691-K694 VanDerWaalsContact O-N 3.15Å; E692-K694 PolarHBondContact O-N 3.34Å
695	E	45.2	Very low	41.5	Very low	182 Å²	182	133.1 Å²	133.1	85%	0.85	71%	0.71	S	S	*	*	H	α-helix	trans	-92.2	-18.8	176.7	-69.6	-163	154.4	0	0	113.9	E691 E692	E691-E695 PolarHBondContact O-N 2.94Å; E692-E695 PolarHBondContact O-N 3.1Å
696	G	39.9	Very low	40.4	Very low	66 Å²	66	134 Å²	134	68%	0.68	73%	0.725	S	S	*	*	S	Bend	trans	-85	-1	178.9	0	0	0	0	0	116.9	E692 A698	E692-G696 PolarHBondContact O-N 3.29Å; E692-G696 VanDerWaalsContact O-N 3.1Å; G696-A698 PolarHBondContact O-N 3.33Å
697	G	37.1	Very low	39.5	Very low	72 Å²	72	136 Å²	136	74%	0.742	74%	0.736	S	S	*	*			trans	-81.4	65.8	-169.4	0	0	0	0	0	116.3
698	A	33.9	Very low	38.6	Very low	81 Å²	81	133.2 Å²	133.2	67%	0.669	74%	0.74	S	S	*	*			trans	-140.8	102.6	164.9	0	0	0	0	0	114	G696	G696-A698 PolarHBondContact O-N 3.33Å
699	T	32.3	Very low	38.1	Very low	135 Å²	135	135 Å²	135	83%	0.828	76%	0.756	S	S	*	*			trans	101.8	126.1	147.5	71.8	0	0	0	0	121.2
700	V	31.5	Very low	37.1	Very low	142 Å²	142	138.7 Å²	138.7	86%	0.861	77%	0.771	S	S	*	*			trans	88.9	100.9	149.4	-158.8	0	0	0	0	120.6
701	G	30.1	Very low	35.9	Very low	67 Å²	67	142.5 Å²	142.5	69%	0.691	79%	0.788	S	S	*	*				105.4	104.9	109	0	0	0	0	0	120.8
702	R	31.6	Very low	34.9	Very low	243 Å²	243	146.8 Å²	146.8	92%	0.917	80%	0.799	S	S	*	*			trans	25.1	125.1	142.3	-71.4	176.5	166.6	170.1	-4.2	118.3
703	N	29.3	Very low	33.9	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	81%	0.807	S	S	*	*				167.1	156.4	82.9	-118.7	-6.7	0	0	0	113.4
704	A	30	Very low	33.1	Very low	97 Å²	97	147.5 Å²	147.5	80%	0.802	81%	0.807	S	S	*	*			trans	89.3	125.7	147.9	0	0	0	0	0	121.2
705	R	31	Very low	32	Very low	232 Å²	232	143.4 Å²	143.4	88%	0.875	81%	0.812	S	S	*	*			trans	-73.7	151.7	177.5	-65.5	164.8	166.9	170.1	-5.9	112.5
706	S	30.5	Very low	31.2	Very low	125 Å²	125	145.4 Å²	145.4	87%	0.874	81%	0.812	S	S	*	*			trans	-153.7	149.8	136.8	57.3	0	0	0	0	111.6
707	H	30.7	Very low	30.6	Very low	174 Å²	174	150 Å²	150	81%	0.806	82%	0.821	S	S	*	*			trans	-94.7	142.7	-160.6	-94.9	-85.8	0	0	0	113.8
708	A	30.8	Very low	30	Very low	87 Å²	87	151.2 Å²	151.2	72%	0.719	82%	0.824	S	S	*	*			trans	71.2	168.9	134.3	0	0	0	0	0	119.9
709	P	38	Very low	29.7	Very low	126 Å²	126	154 Å²	154	82%	0.818	83%	0.832	S	S	*	*				-133.5	175.6	-69.4	39.3	-23.5	0	0	0	114.4
710	K	30.8	Very low	29.4	Very low	202 Å²	202	153.6 Å²	153.6	88%	0.878	83%	0.83	S	S	*	*			trans	-43	140.9	172.6	-67.2	169.6	173	173.3	0	116.2
711	E	26.2	Very low	29.1	Very low	200 Å²	200	150.8 Å²	150.8	94%	0.935	83%	0.829	S	S	*	*			trans	-120.2	138.3	143	-93.5	-169.6	159.1	0	0	111.4
712	R	29.4	Very low	28.8	Very low	217 Å²	217	158.3 Å²	158.3	82%	0.819	84%	0.837	S	S	*	*			trans	-85.7	142.7	178.1	-80.4	167.6	153.4	168.6	-5.3	109.2
713	S	26.8	Very low	28.6	Very low	124 Å²	124	155.5 Å²	155.5	87%	0.867	83%	0.832	S	S	*	*			trans	-131.4	126.7	137	87.3	0	0	0	0	109.7
714	R	31.1	Very low	28.3	Very low	205 Å²	205	155 Å²	155	77%	0.774	83%	0.829	S	S	*	*			trans	-92.1	129.9	171.9	-94	176.2	161.2	175.7	-6.1	106.7
715	G	25.6	Very low	28.1	Very low	80 Å²	80	159.3 Å²	159.3	83%	0.825	83%	0.832	S	S	*	*			trans	-142.9	89.5	159.8	0	0	0	0	0	108.5
716	R	29.4	Very low	27.8	Very low	223 Å²	223	158.9 Å²	158.9	84%	0.842	85%	0.846	S	S	*	*			trans	-80.4	128.1	164.9	-83.1	177.6	171.2	174.1	-5.9	107
717	N	25.4	Very low	27.7	Very low	163 Å²	163	160.6 Å²	160.6	87%	0.872	85%	0.845	S	S	*	*			trans	-139.9	109.9	144.4	-93.2	-17.8	0	0	0	107.5
718	A	26.3	Very low	27.5	Very low	98 Å²	98	159.8 Å²	159.8	81%	0.81	85%	0.847	S	S	*	*			trans	-81	128.9	165.6	0	0	0	0	0	107.3
719	V	26	Very low	27.3	Very low	138 Å²	138	163.9 Å²	163.9	84%	0.836	85%	0.854	S	S	*	*			trans	-116.8	118.3	162	177.7	0	0	0	0	106.5
720	T	26.4	Very low	26.7	Very low	128 Å²	128	166.1 Å²	166.1	79%	0.785	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-63.8	120.8	177	43.7	0	0	0	0	110.2	R722	T720-R722 PolarHBondContact O-N 3Å
721	G	25	Very low	26.4	Very low	82 Å²	82	163.9 Å²	163.9	85%	0.845	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-64.2	122.1	171.9	0	0	0	0	0	111
722	R	23.8	Very low	26.5	Very low	226 Å²	226	161.5 Å²	161.5	85%	0.853	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-87.5	127.3	170.1	-165.6	174	-180	168.2	-1.8	107.1	T720	T720-R722 PolarHBondContact O-N 3Å
723	K	28.9	Very low	26.2	Very low	184 Å²	184	157.5 Å²	157.5	80%	0.8	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-68.6	127.9	168.1	-71.6	178.3	169.5	-169.6	0	108.6
724	D	23.1	Very low	26.2	Very low	145 Å²	145	160.1 Å²	160.1	78%	0.775	85%	0.85	S	S	*	*			trans	-131.2	116.9	156	-76	-36.6	0	0	0	105.8
725	E	25.1	Very low	25.8	Very low	186 Å²	186	156.3 Å²	156.3	87%	0.869	86%	0.857	S	S	*	*			trans	-117.2	126.5	171.7	-77.8	178.1	179.1	0	0	107.3
726	L	24.5	Very low	25.8	Very low	223 Å²	223	163.3 Å²	163.3	100%	1.168	86%	0.86	S	S	*	*			trans	-88.9	0	168.4	-80.1	159.4	0	0	0	110.1	R484	R484-L726 PolarHBondContact NH2-OXT 2.87Å

Retrieved 726 of 726 residues in 286.4 ms (Link to these results)

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