A0A087XKN8_POEFO Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A0A3B5R008), UniProt , Accession A0A087XKN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 514 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	58.7	Low	248 Å²	248	148.3 Å²	148.3	100%	1.222	78%	0.779	S	S	*	*				0	116.5	0	-79.5	170.3	165	0	0	107.4
2	S	41.5	Very low	60.9	Low	87 Å²	87	146.9 Å²	146.9	61%	0.608	78%	0.78	S	S	*	*			trans	-73.4	134.8	-169.9	-179.1	0	0	0	0	111.1	K4	S2-K4 PolarHBondContact O-N 2.96Å
3	T	48.2	Very low	63.1	Low	131 Å²	131	143.9 Å²	143.9	80%	0.804	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	16.8	175.6	37.5	0	0	0	0	114.4
4	K	51.8	Low	65	Low	182 Å²	182	140.6 Å²	140.6	79%	0.791	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-10.9	-176.6	-87.3	-172.1	173.3	-177.8	0	115.6	S2	S2-K4 PolarHBondContact O-N 2.96Å
5	D	49.7	Very low	66.6	Low	129 Å²	129	137.4 Å²	137.4	69%	0.69	72%	0.722	S	S	*	*	S	Bend	trans	-92.2	1.2	-174.1	-76.7	-39	0	0	0	115.2	N7	D5-N7 VanDerWaalsContact C-N 3.34Å; D5-N7 PolarHBondContact O-N 3.06Å
6	Q	54.3	Low	68	Low	175 Å²	175	135.6 Å²	135.6	82%	0.818	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-1.7	-174.4	-76.2	-173.2	-10.1	0	0	115.9
7	N	60.1	Low	69.4	Low	158 Å²	158	136.2 Å²	136.2	85%	0.845	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	28.7	-175.5	-90.4	-5.3	0	0	0	114.9	D5 L9	D5-N7 VanDerWaalsContact C-N 3.34Å; D5-N7 PolarHBondContact O-N 3.06Å; N7-L9 PolarHBondContact O-N 3.25Å; N7-L9 VanDerWaalsContact O-N 3.14Å
8	K	67	Low	70.8	Confident	186 Å²	186	134.1 Å²	134.1	81%	0.809	71%	0.713	S	S	*	*			trans	-77	98.8	164.5	-90.4	-177	178.3	173.9	0	109.1	S10	K8-S10 PolarHBondContact O-N 3.39Å
9	L	71.9	Confident	72	Confident	137 Å²	137	131.1 Å²	131.1	72%	0.717	70%	0.7	S	S	*	*			trans	-58.2	128	166.6	-71.3	168.5	0	0	0	108.4	N7 T11 P15	N7-L9 PolarHBondContact O-N 3.25Å; N7-L9 VanDerWaalsContact O-N 3.14Å; L9-T11 PolarHBondContact O-N 2.95Å; L9-P15 HydrophobicContact CD2-CB 4.46Å
10	S	80.5	Confident	73.1	Confident	54 Å²	54	130.1 Å²	130.1	38%	0.378	70%	0.701	S	S	.	*			trans	-62.3	134.5	173.5	176	0	0	0	0	109.5	K8 V12 E13	K8-S10 PolarHBondContact O-N 3.39Å; S10-V12 VanDerWaalsContact C-N 3.31Å; S10-V12 WeakPolarHBondContact OG-CG2 3.49Å; S10-V12 PolarHBondContact OG-N 2.78Å; S10-E13 PolarHBondContact OG-N 2.95Å; S10-E13 VanDerWaalsContact OG-N 3.08Å
11	T	81	Confident	74.1	Confident	144 Å²	144	132.7 Å²	132.7	88%	0.883	70%	0.702	S	S	*	*	S	Bend	trans	-84.8	-7.4	176.4	53.2	0	0	0	0	113	L9	L9-T11 PolarHBondContact O-N 2.95Å
12	V	84.9	Confident	76.8	Confident	132 Å²	132	123.1 Å²	123.1	80%	0.8	66%	0.659	S	S	*	*	S	Bend	trans	-112.9	-24.1	-179.7	-63.7	0	0	0	0	112.9	S10	S10-V12 VanDerWaalsContact C-N 3.31Å; S10-V12 WeakPolarHBondContact OG-CG2 3.49Å; S10-V12 PolarHBondContact OG-N 2.78Å
13	E	88.9	Confident	79.4	Confident	108 Å²	108	120.9 Å²	120.9	51%	0.505	64%	0.642	S	S	.	*	S	Bend	trans	-91.4	152	176	-62.1	-173.9	-168.2	0	0	111.5	S10 P15 K17	S10-E13 PolarHBondContact OG-N 2.95Å; S10-E13 VanDerWaalsContact OG-N 3.08Å; E13-P15 WeakPolarHBondContact O-CD 3.47Å; E13-K17 IonicContact OE2-NZ 3.8Å; E13-K17 PolarHBondContact OE2-NZ 2.85Å
14	R	89.4	Confident	81.5	Confident	98 Å²	98	118.3 Å²	118.3	37%	0.37	64%	0.642	S	S	.	*			trans	-62.6	119.5	173.9	-174.8	167	179.8	-111.3	8.8	110.3	I16 K17 V19 P20	R14-I16 VanDerWaalsContact CZ-O 3.28Å; R14-I16 PolarHBondContact NH1-O 3.34Å; R14-K17 WeakPolarHBondContact O-CG 3.4Å; R14-V19 PolarHBondContact NH1-O 3.19Å; R14-V19 PolarHBondContact NH2-O 2.87Å; R14-P20 PolarHBondContact NH2-O 3.05Å
15	P	88.9	Confident	83.5	Confident	92 Å²	92	114.7 Å²	114.7	60%	0.597	64%	0.635	S	S	*	*	S	Bend	trans	-71.1	-38.4	-173	24.8	-33.1	0	0	0	112.8	L9 E13	L9-P15 HydrophobicContact CD2-CB 4.46Å; E13-P15 WeakPolarHBondContact O-CD 3.47Å
16	I	90.2	Very high	85.8	Confident	109 Å²	109	114.2 Å²	114.2	56%	0.559	62%	0.624	S	S	*	*			trans	-103.7	81.4	-178.4	-48.9	179.2	0	0	0	109.5	R14 A18 V19	R14-I16 VanDerWaalsContact CZ-O 3.28Å; R14-I16 PolarHBondContact NH1-O 3.34Å; I16-A18 VanDerWaalsContact C-N 3.27Å; I16-A18 PolarHBondContact O-N 3.18Å; I16-V19 HydrophobicContact CB-CG2 4.48Å; I16-V19 HydrophobicContact CG2-CB 4.29Å; I16-V19 HydrophobicContact CG2-CG2 3.58Å
17	K	91	Very high	87.9	Confident	146 Å²	146	106.9 Å²	106.9	64%	0.635	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-24.8	-176.6	-63.4	-176.5	-179.7	179.5	0	113.7	E13 R14	E13-K17 IonicContact OE2-NZ 3.8Å; E13-K17 PolarHBondContact OE2-NZ 2.85Å; R14-K17 WeakPolarHBondContact O-CG 3.4Å
18	A	94.4	Very high	89.7	Confident	97 Å²	97	100.1 Å²	100.1	80%	0.802	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-25.2	-176.7	0	0	0	0	0	114.6	I16	I16-A18 VanDerWaalsContact C-N 3.27Å; I16-A18 PolarHBondContact O-N 3.18Å
19	V	93.8	Very high	91.1	Very high	78 Å²	78	92.1 Å²	92.1	47%	0.473	52%	0.522	S	S	.	.	S	Bend	trans	-71.2	127.3	177.1	172.6	0	0	0	0	108.1	R14 I16	R14-V19 PolarHBondContact NH1-O 3.19Å; R14-V19 PolarHBondContact NH2-O 2.87Å; I16-V19 HydrophobicContact CB-CG2 4.48Å; I16-V19 HydrophobicContact CG2-CB 4.29Å; I16-V19 HydrophobicContact CG2-CG2 3.58Å
20	P	94.5	Very high	92.3	Very high	111 Å²	111	94.6 Å²	94.6	72%	0.721	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-55.7	148.9	176.7	-26.2	35.8	0	0	0	112.2	R14	R14-P20 PolarHBondContact NH2-O 3.05Å
21	Y	94.2	Very high	93.1	Very high	184 Å²	184	96.9 Å²	96.9	72%	0.722	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-102.2	131.4	176.1	-168.6	-93.2	0	0	0	109.3
22	P	96.5	Very high	93.9	Very high	47 Å²	47	90 Å²	90	31%	0.305	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-57.3	138.2	176	-28.6	37	0	0	0	112.4	G24 K49 E50	P22-G24 PolarHBondContact O-N 3.35Å; P22-K49 WeakPolarHBondContact CA-O 3.18Å; P22-E50 HydrophobicContact CB-CB 4.07Å; P22-E50 HydrophobicContact CG-CB 4.15Å
23	P	95.7	Very high	94.5	Very high	40 Å²	40	85 Å²	85	26%	0.26	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-58.7	128.3	176.9	-22.8	31.8	0	0	0	111.9	T25 K49	P23-T25 VanDerWaalsContact C-N 3.31Å; P23-K49 WeakPolarHBondContact CD-O 3.48Å; P23-K49 HydrophobicContact CG-CB 3.97Å
24	G	92.3	Very high	94.7	Very high	78 Å²	78	82.7 Å²	82.7	80%	0.804	46%	0.459	S	S	*	.	S	Bend	trans	-75.8	-19.7	172.8	0	0	0	0	0	113.6	P22	P22-G24 PolarHBondContact O-N 3.35Å
25	T	94.9	Very high	94.8	Very high	105 Å²	105	86.4 Å²	86.4	64%	0.644	49%	0.486	S	S	*	.	S	Bend	trans	-80.8	132.7	178.4	50.6	0	0	0	0	110.9	P23 H46	P23-T25 VanDerWaalsContact C-N 3.31Å; T25-H46 PolarHBondContact O-CE1 3.46Å; T25-H46 VanDerWaalsContact O-CE1 3.28Å
26	R	97.9	Very high	95	Very high	119 Å²	119	84.3 Å²	84.3	45%	0.449	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-91.4	139.1	172	-64.8	-174	-177.9	-161.9	2.7	110.3	R52 E54	R26-R52 VanDerWaalsContact CA-O 3.23Å; R26-R52 WeakPolarHBondContact CA-O 3.42Å; R26-R52 HydrophobicContact CG-CB 4.47Å; R26-E54 HydrophobicContact CB-CG 3.81Å
27	L	97.4	Very high	95.3	Very high	22 Å²	22	83.7 Å²	83.7	12%	0.115	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-77	123.5	175.7	-74.4	-178.2	0	0	0	110.2	D31 L42 H46 R52 L53 E54	L27-D31 HydrophobicContact CD2-CB 4.3Å; L27-L42 HydrophobicContact CD1-CD2 4.39Å; L27-L42 HydrophobicContact CD1-CG 4Å; L27-L42 HydrophobicContact CD2-CD2 4.4Å; L27-H46 HydrophobicContact CD1-CB 3.57Å; L27-H46 HydrophobicContact CG-CB 4.36Å; L27-R52 PolarHBondContact N-O 2.97Å; L27-L53 HydrophobicContact CB-CD2 3.75Å; L27-L53 HydrophobicContact CD1-CD2 4.1Å; L27-L53 HydrophobicContact CG-CD2 4.42Å; L27-E54 PolarHBondContact O-N 2.85Å
28	S	98.1	Very high	95.6	Very high	15 Å²	15	76.8 Å²	76.8	11%	0.105	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-80.3	168.1	176.2	76.3	0	0	0	0	111.9	K30 D31 L32 E54	S28-K30 PolarHBondContact O-N 2.97Å; S28-K30 PolarHBondContact OG-N 2.93Å; S28-D31 WeakPolarHBondContact CB-OD2 3.14Å; S28-D31 PolarHBondContact N-OD2 3.03Å; S28-D31 PolarHBondContact O-N 2.96Å; S28-D31 PolarHBondContact OG-N 2.82Å; S28-D31 PolarHBondContact OG-OD2 2.86Å; S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 2.81Å; S28-E54 VanDerWaalsContact CA-OE2 3.29Å; S28-E54 WeakPolarHBondContact CA-OE2 3.38Å; S28-E54 WeakPolarHBondContact CB-OE2 3.4Å
29	V	97.6	Very high	95.8	Very high	19 Å²	19	74.2 Å²	74.2	12%	0.115	42%	0.421	C	S	.	.	H	α-helix	trans	-56.8	-39.9	171.1	176.8	0	0	0	0	110.9	L32 Y33 E56 A57	V29-L32 PolarHBondContact O-N 3.16Å; V29-Y33 HydrophobicContact CG1-CD2 4.07Å; V29-Y33 HydrophobicContact CG1-CG 4.45Å; V29-Y33 WeakPolarHBondContact O-CB 3.41Å; V29-Y33 PolarHBondContact O-N 3.06Å; V29-E56 HydrophobicContact CG2-CB 4.32Å; V29-E56 HydrophobicContact CG2-CG 4.02Å; V29-A57 HydrophobicContact CG2-CB 3.78Å
30	K	97	Very high	96	Very high	189 Å²	189	71.6 Å²	71.6	82%	0.822	40%	0.404	S	S	*	.	H	α-helix	trans	-67.9	-36.4	-177	-67.1	179.7	-178.6	173.9	0	112.4	S28	S28-K30 PolarHBondContact O-N 2.97Å; S28-K30 PolarHBondContact OG-N 2.93Å
31	D	96.1	Very high	96.1	Very high	101 Å²	101	74.2 Å²	74.2	54%	0.54	41%	0.407	S	S	.	.	H	α-helix	trans	-76.8	-35.1	179.6	-55	-47.6	0	0	0	111.3	L27 S28 L42	L27-D31 HydrophobicContact CD2-CB 4.3Å; S28-D31 WeakPolarHBondContact CB-OD2 3.14Å; S28-D31 PolarHBondContact N-OD2 3.03Å; S28-D31 PolarHBondContact O-N 2.96Å; S28-D31 PolarHBondContact OG-N 2.82Å; S28-D31 PolarHBondContact OG-OD2 2.86Å; D31-L42 WeakPolarHBondContact O-CD2 3.28Å
32	L	97.3	Very high	96.3	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-85.2	-36	-173.5	-179.5	58.5	0	0	0	113.7	S28 V29 P38 S39 L43 L53 I61	S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 2.81Å; V29-L32 PolarHBondContact O-N 3.16Å; L32-P38 HydrophobicContact CD2-CB 4.47Å; L32-P38 HydrophobicContact CG-CB 4.2Å; L32-S39 WeakPolarHBondContact O-CB 3.37Å; L32-S39 PolarHBondContact O-N 3.08Å; L32-L43 HydrophobicContact CD1-CB 3.89Å; L32-L43 HydrophobicContact CD1-CD1 4.45Å; L32-L43 HydrophobicContact CD2-CD1 4.28Å; L32-L53 HydrophobicContact CD2-CD1 4.1Å; L32-L53 HydrophobicContact CD2-CD2 4.29Å; L32-I61 HydrophobicContact CD2-CD1 3.75Å
33	Y	97.4	Very high	96.4	Very high	27 Å²	27	66.2 Å²	66.2	11%	0.106	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.3	-173.8	-82	-107.9	0	0	0	112.5	V29 K37 P38 R60 I61 E64	V29-Y33 HydrophobicContact CG1-CD2 4.07Å; V29-Y33 HydrophobicContact CG1-CG 4.45Å; V29-Y33 WeakPolarHBondContact O-CB 3.41Å; V29-Y33 PolarHBondContact O-N 3.06Å; Y33-K37 WeakPolarHBondContact CA-O 3.47Å; Y33-P38 HydrophobicContact CD2-CB 4.48Å; Y33-P38 HydrophobicContact CE1-CB 4.38Å; Y33-P38 HydrophobicContact CE1-CG 4.5Å; Y33-P38 HydrophobicContact CE2-CB 4.12Å; Y33-R60 HydrophobicContact CE2-CG 4.38Å; Y33-R60 WeakPolarHBondContact OH-CG 3.23Å; Y33-I61 HydrophobicContact CE2-CG1 4.23Å; Y33-I61 WeakPolarHBondContact OH-CG1 3.33Å; Y33-E64 VanDerWaalsContact CE1-OE2 3.28Å; Y33-E64 WeakPolarHBondContact CE1-OE2 3.46Å; Y33-E64 PolarHBondContact OH-OE2 2.93Å
34	A	93.3	Very high	96.5	Very high	60 Å²	60	68.3 Å²	68.3	50%	0.496	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.6	169.2	0	0	0	0	0	109	G36 K37	A34-G36 PolarHBondContact O-N 3.21Å; A34-K37 PolarHBondContact N-O 3.29Å; A34-K37 PolarHBondContact O-N 3.45Å
35	D	91.4	Very high	96.8	Very high	175 Å²	175	66.8 Å²	66.8	94%	0.936	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	35.5	178.9	-56.3	-41.5	0	0	0	114.5	K37	D35-K37 VanDerWaalsContact C-N 3.29Å; D35-K37 PolarHBondContact O-N 2.87Å
36	G	93.1	Very high	96.9	Very high	49 Å²	49	62.5 Å²	62.5	51%	0.505	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	3.7	179	0	0	0	0	0	115.3	A34	A34-G36 PolarHBondContact O-N 3.21Å
37	K	96.8	Very high	97	Very high	95 Å²	95	56.9 Å²	56.9	41%	0.413	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.5	175.7	-67.9	-174.8	173.4	-171.7	0	111.7	Y33 A34 D35 N136	Y33-K37 WeakPolarHBondContact CA-O 3.47Å; A34-K37 PolarHBondContact N-O 3.29Å; A34-K37 PolarHBondContact O-N 3.45Å; D35-K37 VanDerWaalsContact C-N 3.29Å; D35-K37 PolarHBondContact O-N 2.87Å; K37-N136 PolarHBondContact NZ-O 3.2Å
38	P	97.8	Very high	97	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.8	174.6	28.8	-32.1	0	0	0	110.9	L32 Y33 L40 A132 I135 N136	L32-P38 HydrophobicContact CD2-CB 4.47Å; L32-P38 HydrophobicContact CG-CB 4.2Å; Y33-P38 HydrophobicContact CD2-CB 4.48Å; Y33-P38 HydrophobicContact CE1-CB 4.38Å; Y33-P38 HydrophobicContact CE1-CG 4.5Å; Y33-P38 HydrophobicContact CE2-CB 4.12Å; P38-L40 PolarHBondContact O-N 3.06Å; P38-A132 HydrophobicContact CB-CB 4.35Å; P38-A132 HydrophobicContact CG-CB 3.82Å; P38-I135 HydrophobicContact CG-CD1 4.41Å; P38-I135 HydrophobicContact CG-CG2 4.4Å; P38-N136 PolarHBondContact O-ND2 2.8Å
39	S	98.1	Very high	97	Very high	43 Å²	43	64.3 Å²	64.3	30%	0.301	34%	0.344	S	S	.	.			trans	-69.3	107.6	173.6	176.6	0	0	0	0	110.8	L32 E41 L42 L43	L32-S39 WeakPolarHBondContact O-CB 3.37Å; L32-S39 PolarHBondContact O-N 3.08Å; S39-E41 VanDerWaalsContact C-N 3.34Å; S39-E41 PolarHBondContact O-N 2.84Å; S39-L42 PolarHBondContact O-N 3.2Å; S39-L42 WeakPolarHBondContact OG-CB 3.28Å; S39-L42 PolarHBondContact OG-N 2.76Å; S39-L43 VanDerWaalsContact O-CB 3.32Å; S39-L43 WeakPolarHBondContact O-CB 3.33Å; S39-L43 PolarHBondContact O-N 3.11Å
40	L	97.9	Very high	97.1	Very high	24 Å²	24	65.5 Å²	65.5	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-64.6	-37.2	-178.1	-63	173.2	0	0	0	112.8	P38 K44 A132 L133 N136 Y137	P38-L40 PolarHBondContact O-N 3.06Å; L40-K44 WeakPolarHBondContact O-CB 3.34Å; L40-K44 PolarHBondContact O-N 2.82Å; L40-A132 HydrophobicContact CD2-CB 3.87Å; L40-L133 HydrophobicContact CD1-CD2 3.69Å; L40-L133 HydrophobicContact CD2-CD2 3.86Å; L40-L133 HydrophobicContact CD2-CG 4.13Å; L40-L133 HydrophobicContact CG-CD2 4.37Å; L40-N136 HydrophobicContact CD1-CB 3.87Å; L40-N136 HydrophobicContact CD2-CB 4.5Å; L40-N136 HydrophobicContact CG-CB 4.37Å; L40-Y137 HydrophobicContact CD1-CD2 4.31Å; L40-Y137 HydrophobicContact CD1-CE2 3.38Å
41	E	97.3	Very high	97.1	Very high	165 Å²	165	56.5 Å²	56.5	77%	0.771	31%	0.309	S	S	*	.	H	α-helix	trans	-66.6	-47.5	179.4	-175.8	179.6	177.1	0	0	111	S39 K44 A45	S39-E41 VanDerWaalsContact C-N 3.34Å; S39-E41 PolarHBondContact O-N 2.84Å; E41-K44 PolarHBondContact O-N 2.65Å; E41-A45 VanDerWaalsContact O-CB 3.28Å; E41-A45 WeakPolarHBondContact O-CB 3.31Å; E41-A45 PolarHBondContact O-N 3.03Å
42	L	97.9	Very high	97.2	Very high	64 Å²	64	54.7 Å²	54.7	34%	0.335	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-45	178.6	-178	62.3	0	0	0	111.1	L27 D31 S39 A45 H46	L27-L42 HydrophobicContact CD1-CD2 4.39Å; L27-L42 HydrophobicContact CD1-CG 4Å; L27-L42 HydrophobicContact CD2-CD2 4.4Å; D31-L42 WeakPolarHBondContact O-CD2 3.28Å; S39-L42 PolarHBondContact O-N 3.2Å; S39-L42 WeakPolarHBondContact OG-CB 3.28Å; S39-L42 PolarHBondContact OG-N 2.76Å; L42-A45 PolarHBondContact O-N 3Å; L42-H46 WeakPolarHBondContact O-CB 3.48Å; L42-H46 PolarHBondContact O-N 3.25Å
43	L	98.5	Very high	97.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-52.6	176.6	-175.4	58.4	0	0	0	110.9	L32 S39 A45 H46 L47 L53 I61 Y129 A132	L32-L43 HydrophobicContact CD1-CB 3.89Å; L32-L43 HydrophobicContact CD1-CD1 4.45Å; L32-L43 HydrophobicContact CD2-CD1 4.28Å; S39-L43 VanDerWaalsContact O-CB 3.32Å; S39-L43 WeakPolarHBondContact O-CB 3.33Å; S39-L43 PolarHBondContact O-N 3.11Å; L43-A45 PolarHBondContact O-N 3.05Å; L43-H46 PolarHBondContact O-N 2.8Å; L43-L47 HydrophobicContact CD1-CD1 3.81Å; L43-L47 HydrophobicContact CD1-CD2 4.3Å; L43-L47 HydrophobicContact CD1-CG 3.91Å; L43-L47 HydrophobicContact CG-CD1 3.89Å; L43-L47 HydrophobicContact CG-CG 4.28Å; L43-L47 VanDerWaalsContact O-CG 3.32Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 3.22Å; L43-L53 HydrophobicContact CD1-CD1 3.94Å; L43-L53 HydrophobicContact CD1-CD2 3.77Å; L43-L53 HydrophobicContact CD1-CG 4.33Å; L43-I61 HydrophobicContact CD2-CD1 4.37Å; L43-Y129 HydrophobicContact CD2-CD2 4.13Å; L43-Y129 HydrophobicContact CG-CD2 4.29Å; L43-A132 HydrophobicContact CD2-CB 3.43Å; L43-A132 VanDerWaalsContact CD2-CB 3.43Å
44	K	98.4	Very high	97.4	Very high	84 Å²	84	57.2 Å²	57.2	37%	0.365	31%	0.308	S	S	.	.	H	α-helix	trans	-55.6	-50.7	177.8	177.6	177.2	175.3	177.6	0	111.5	L40 E41 H46 L47 V48 M96 Y129	L40-K44 WeakPolarHBondContact O-CB 3.34Å; L40-K44 PolarHBondContact O-N 2.82Å; E41-K44 PolarHBondContact O-N 2.65Å; K44-H46 PolarHBondContact O-N 3.07Å; K44-L47 PolarHBondContact O-N 3.39Å; K44-V48 HydrophobicContact CG-CG2 4.28Å; K44-V48 WeakPolarHBondContact O-CB 3.46Å; K44-V48 VanDerWaalsContact O-CG2 3.27Å; K44-V48 WeakPolarHBondContact O-CG2 3.42Å; K44-V48 PolarHBondContact O-N 3.21Å; K44-M96 HydrophobicContact CD-SD 3.85Å; K44-M96 VanDerWaalsContact CE-SD 3.54Å; K44-M96 HydrophobicContact CG-SD 3.76Å; K44-Y129 HydrophobicContact CB-CE2 3.75Å; K44-Y129 HydrophobicContact CG-CE2 4.49Å
45	A	98.1	Very high	97.6	Very high	45 Å²	45	57.2 Å²	57.2	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-30.8	-177	0	0	0	0	0	112.8	E41 L42 L43 K49	E41-A45 VanDerWaalsContact O-CB 3.28Å; E41-A45 WeakPolarHBondContact O-CB 3.31Å; E41-A45 PolarHBondContact O-N 3.03Å; L42-A45 PolarHBondContact O-N 3Å; L43-A45 PolarHBondContact O-N 3.05Å; A45-K49 WeakPolarHBondContact O-CG 3.5Å
46	H	98.4	Very high	97.9	Very high	16 Å²	16	55.3 Å²	55.3	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-78.2	-48.9	177.1	-166.5	65.4	0	0	0	112.3	T25 L27 L42 L43 K44 V48 K49 G51 R52	T25-H46 PolarHBondContact O-CE1 3.46Å; T25-H46 VanDerWaalsContact O-CE1 3.28Å; L27-H46 HydrophobicContact CD1-CB 3.57Å; L27-H46 HydrophobicContact CG-CB 4.36Å; L42-H46 WeakPolarHBondContact O-CB 3.48Å; L42-H46 PolarHBondContact O-N 3.25Å; L43-H46 PolarHBondContact O-N 2.8Å; K44-H46 PolarHBondContact O-N 3.07Å; H46-V48 PolarHBondContact O-N 2.66Å; H46-K49 PolarHBondContact O-N 3.41Å; H46-K49 VanDerWaalsContact O-N 3.08Å; H46-G51 VanDerWaalsContact NE2-C 3.29Å; H46-G51 WeakPolarHBondContact NE2-CA 3.16Å; H46-G51 WeakPolarHBondContact O-CA 3.47Å; H46-G51 PolarHBondContact O-N 2.8Å; H46-R52 PolarHBondContact NE2-N 3.1Å; H46-R52 PolarHBondContact NE2-O 2.83Å
47	L	98.6	Very high	98.2	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-36.5	-178.8	-63.5	-176.1	0	0	0	112.4	L43 K44 K49 E50 G51 F92 E125	L43-L47 HydrophobicContact CD1-CD1 3.81Å; L43-L47 HydrophobicContact CD1-CD2 4.3Å; L43-L47 HydrophobicContact CD1-CG 3.91Å; L43-L47 HydrophobicContact CG-CD1 3.89Å; L43-L47 HydrophobicContact CG-CG 4.28Å; L43-L47 VanDerWaalsContact O-CG 3.32Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 3.22Å; K44-L47 PolarHBondContact O-N 3.39Å; L47-K49 PolarHBondContact O-N 3.03Å; L47-K49 VanDerWaalsContact O-N 3.16Å; L47-E50 WeakPolarHBondContact O-CA 3.42Å; L47-E50 PolarHBondContact O-N 3.07Å; L47-G51 WeakPolarHBondContact CD2-O 3.47Å; L47-F92 HydrophobicContact CB-CE1 3.66Å; L47-F92 HydrophobicContact CB-CE2 4.36Å; L47-F92 HydrophobicContact CB-CZ 3.5Å; L47-F92 HydrophobicContact CD1-CE2 4.13Å; L47-F92 HydrophobicContact CD1-CZ 4.03Å; L47-F92 HydrophobicContact CG-CZ 4.43Å; L47-E125 HydrophobicContact CB-CG 4.36Å; L47-E125 HydrophobicContact CD1-CB 4.19Å; L47-E125 HydrophobicContact CD1-CG 4.47Å; L47-E125 HydrophobicContact CD2-CG 4.02Å; L47-E125 HydrophobicContact CG-CG 4.49Å
48	V	98.3	Very high	98.3	Very high	58 Å²	58	48.4 Å²	48.4	35%	0.352	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.5	174.6	167.1	0	0	0	0	112.1	K44 H46 E50 F92 F93 M96	K44-V48 HydrophobicContact CG-CG2 4.28Å; K44-V48 WeakPolarHBondContact O-CB 3.46Å; K44-V48 VanDerWaalsContact O-CG2 3.27Å; K44-V48 WeakPolarHBondContact O-CG2 3.42Å; K44-V48 PolarHBondContact O-N 3.21Å; H46-V48 PolarHBondContact O-N 2.66Å; V48-E50 VanDerWaalsContact C-N 3.33Å; V48-F92 HydrophobicContact CG2-CE1 3.89Å; V48-F92 HydrophobicContact CG2-CZ 4.45Å; V48-F93 HydrophobicContact CG1-CE1 4.38Å; V48-F93 WeakPolarHBondContact O-CE1 3.41Å; V48-M96 HydrophobicContact CG2-CG 4.1Å; V48-M96 HydrophobicContact CG2-SD 4.46Å
49	K	98.2	Very high	98.3	Very high	134 Å²	134	49.4 Å²	49.4	58%	0.583	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	13.1	175.4	-62.8	175.5	-175.8	172.3	0	112.7	P22 P23 A45 H46 L47 G51	P22-K49 WeakPolarHBondContact CA-O 3.18Å; P23-K49 WeakPolarHBondContact CD-O 3.48Å; P23-K49 HydrophobicContact CG-CB 3.97Å; A45-K49 WeakPolarHBondContact O-CG 3.5Å; H46-K49 PolarHBondContact O-N 3.41Å; H46-K49 VanDerWaalsContact O-N 3.08Å; L47-K49 PolarHBondContact O-N 3.03Å; L47-K49 VanDerWaalsContact O-N 3.16Å; K49-G51 PolarHBondContact O-N 3.11Å
50	E	98.4	Very high	98.4	Very high	45 Å²	45	51.4 Å²	51.4	21%	0.21	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	21.4	-174.1	-49.9	177.1	87.3	0	0	113.5	P22 L47 V48 P337	P22-E50 HydrophobicContact CB-CB 4.07Å; P22-E50 HydrophobicContact CG-CB 4.15Å; L47-E50 WeakPolarHBondContact O-CA 3.42Å; L47-E50 PolarHBondContact O-N 3.07Å; V48-E50 VanDerWaalsContact C-N 3.33Å; E50-P337 HydrophobicContact CG-CB 4.16Å; E50-P337 HydrophobicContact CG-CG 3.61Å; E50-P337 WeakPolarHBondContact OE1-CB 3.44Å; E50-P337 WeakPolarHBondContact OE2-CB 3.45Å; E50-P337 WeakPolarHBondContact OE2-CG 3.49Å
51	G	98.3	Very high	98.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.239	C	C	.	.			trans	-69	146.4	174.6	0	0	0	0	0	111.2	H46 L47 K49	H46-G51 VanDerWaalsContact NE2-C 3.29Å; H46-G51 WeakPolarHBondContact NE2-CA 3.16Å; H46-G51 WeakPolarHBondContact O-CA 3.47Å; H46-G51 PolarHBondContact O-N 2.8Å; L47-G51 WeakPolarHBondContact CD2-O 3.47Å; K49-G51 PolarHBondContact O-N 3.11Å
52	R	98.6	Very high	98.5	Very high	62 Å²	62	42.4 Å²	42.4	23%	0.234	20%	0.202	C	C	.	.			trans	-109.3	155.9	178.7	-60.7	179.2	-172.6	179.6	1.3	111.5	R26 L27 H46 I165 K166	R26-R52 VanDerWaalsContact CA-O 3.23Å; R26-R52 WeakPolarHBondContact CA-O 3.42Å; R26-R52 HydrophobicContact CG-CB 4.47Å; L27-R52 PolarHBondContact N-O 2.97Å; H46-R52 PolarHBondContact NE2-N 3.1Å; H46-R52 PolarHBondContact NE2-O 2.83Å; R52-I165 PolarHBondContact NH1-O 3.11Å; R52-K166 WeakPolarHBondContact CD-O 3.4Å; R52-K166 PolarHBondContact NH1-O 3.43Å
53	L	98.7	Very high	98.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-86.9	162	171.9	-50.8	-173.5	0	0	0	110.4	L27 L32 L43 A57 A58 I61 L128 Y167	L27-L53 HydrophobicContact CB-CD2 3.75Å; L27-L53 HydrophobicContact CD1-CD2 4.1Å; L27-L53 HydrophobicContact CG-CD2 4.42Å; L32-L53 HydrophobicContact CD2-CD1 4.1Å; L32-L53 HydrophobicContact CD2-CD2 4.29Å; L43-L53 HydrophobicContact CD1-CD1 3.94Å; L43-L53 HydrophobicContact CD1-CD2 3.77Å; L43-L53 HydrophobicContact CD1-CG 4.33Å; L53-A57 HydrophobicContact CB-CB 4.21Å; L53-A58 HydrophobicContact CB-CB 4.44Å; L53-I61 HydrophobicContact CD1-CD1 3.74Å; L53-L128 HydrophobicContact CD1-CD1 3.99Å; L53-L128 HydrophobicContact CD1-CD2 4.31Å; L53-L128 HydrophobicContact CG-CD1 4.36Å; L53-Y167 HydrophobicContact CB-CE1 4.2Å; L53-Y167 PolarHBondContact N-OH 2.95Å; L53-Y167 WeakPolarHBondContact O-CE1 3.49Å
54	E	98.6	Very high	98.6	Very high	81 Å²	81	45.5 Å²	45.5	38%	0.379	22%	0.217	S	C	.	.			trans	-64.1	149.2	158.1	-68.4	-174.2	159.9	0	0	109.4	R26 L27 S28 E56 A57 A58	R26-E54 HydrophobicContact CB-CG 3.81Å; L27-E54 PolarHBondContact O-N 2.85Å; S28-E54 VanDerWaalsContact CA-OE2 3.29Å; S28-E54 WeakPolarHBondContact CA-OE2 3.38Å; S28-E54 WeakPolarHBondContact CB-OE2 3.4Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 2.82Å; E54-A57 WeakPolarHBondContact O-CB 3.2Å; E54-A57 PolarHBondContact O-N 2.97Å; E54-A58 PolarHBondContact O-N 3.46Å
55	E	98.3	Very high	98.6	Very high	59 Å²	59	41.5 Å²	41.5	28%	0.276	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-39.7	-174.6	-172.8	165.7	158.2	0	0	111.9	A57 A58 L59 S168 V171	E55-A57 VanDerWaalsContact C-N 3.3Å; E55-A57 PolarHBondContact O-N 3.47Å; E55-A58 PolarHBondContact O-N 3.47Å; E55-L59 HydrophobicContact CG-CD1 4.02Å; E55-L59 HydrophobicContact CG-CG 4.37Å; E55-L59 WeakPolarHBondContact O-CB 3.46Å; E55-L59 VanDerWaalsContact O-CG 3.3Å; E55-L59 WeakPolarHBondContact O-CG 3.2Å; E55-L59 PolarHBondContact O-N 2.93Å; E55-S168 WeakPolarHBondContact OE1-CB 3.5Å; E55-S168 PolarHBondContact OE1-OG 2.89Å; E55-V171 HydrophobicContact CG-CG2 3.85Å
56	E	98.4	Very high	98.6	Very high	135 Å²	135	39.4 Å²	39.4	63%	0.631	18%	0.183	S	C	*	.	H	α-helix	trans	-58.8	-40.3	174.1	-169.8	-175.8	165.5	0	0	112.1	V29 E54 R60	V29-E56 HydrophobicContact CG2-CB 4.32Å; V29-E56 HydrophobicContact CG2-CG 4.02Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 2.82Å; E56-R60 VanDerWaalsContact O-CB 3.25Å; E56-R60 WeakPolarHBondContact O-CB 3.35Å; E56-R60 PolarHBondContact O-N 3.36Å
57	A	98.6	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-40.8	178.1	0	0	0	0	0	112.3	V29 L53 E54 E55 R60 I61	V29-A57 HydrophobicContact CG2-CB 3.78Å; L53-A57 HydrophobicContact CB-CB 4.21Å; E54-A57 WeakPolarHBondContact O-CB 3.2Å; E54-A57 PolarHBondContact O-N 2.97Å; E55-A57 VanDerWaalsContact C-N 3.3Å; E55-A57 PolarHBondContact O-N 3.47Å; A57-R60 PolarHBondContact O-N 3.45Å; A57-I61 WeakPolarHBondContact O-CG1 3.44Å; A57-I61 PolarHBondContact O-N 2.93Å
58	A	98.9	Very high	98.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-50.7	174.3	0	0	0	0	0	111.4	L53 E54 E55 R60 I61 I62 L128 Y167 V171	L53-A58 HydrophobicContact CB-CB 4.44Å; E54-A58 PolarHBondContact O-N 3.46Å; E55-A58 PolarHBondContact O-N 3.47Å; A58-R60 VanDerWaalsContact C-N 3.29Å; A58-R60 PolarHBondContact O-N 2.62Å; A58-I61 PolarHBondContact O-N 3.07Å; A58-I62 WeakPolarHBondContact O-CD1 3.36Å; A58-I62 VanDerWaalsContact O-CG1 3.3Å; A58-I62 WeakPolarHBondContact O-CG1 3.32Å; A58-I62 PolarHBondContact O-N 3.19Å; A58-L128 HydrophobicContact CB-CD2 3.92Å; A58-Y167 HydrophobicContact CB-CD1 4.2Å; A58-Y167 HydrophobicContact CB-CE1 3.93Å; A58-V171 HydrophobicContact CB-CG2 4.5Å
59	L	98.9	Very high	98.7	Very high	22 Å²	22	40.1 Å²	40.1	12%	0.115	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-40.1	177.8	-71.5	171.7	0	0	0	111.9	E55 I62 N63 Q170 V171 A174	E55-L59 HydrophobicContact CG-CD1 4.02Å; E55-L59 HydrophobicContact CG-CG 4.37Å; E55-L59 WeakPolarHBondContact O-CB 3.46Å; E55-L59 VanDerWaalsContact O-CG 3.3Å; E55-L59 WeakPolarHBondContact O-CG 3.2Å; E55-L59 PolarHBondContact O-N 2.93Å; L59-I62 PolarHBondContact O-N 2.81Å; L59-N63 VanDerWaalsContact O-CB 3.27Å; L59-N63 WeakPolarHBondContact O-CB 3.41Å; L59-N63 PolarHBondContact O-N 3.13Å; L59-N63 PolarHBondContact O-ND2 2.83Å; L59-N63 VanDerWaalsContact O-ND2 3.1Å; L59-Q170 HydrophobicContact CD1-CG 4.27Å; L59-Q170 HydrophobicContact CD2-CG 4.25Å; L59-V171 HydrophobicContact CD2-CG2 4Å; L59-V171 HydrophobicContact CG-CG2 4.13Å; L59-A174 HydrophobicContact CD2-CB 3.61Å
60	R	98.8	Very high	98.7	Very high	85 Å²	85	39.1 Å²	39.1	32%	0.321	18%	0.181	S	C	.	.	H	α-helix	trans	-60.9	-47.7	177.7	-172.8	179.1	173.6	179.4	-4.1	112	Y33 E56 A57 A58 I62 N63 E64	Y33-R60 HydrophobicContact CE2-CG 4.38Å; Y33-R60 WeakPolarHBondContact OH-CG 3.23Å; E56-R60 VanDerWaalsContact O-CB 3.25Å; E56-R60 WeakPolarHBondContact O-CB 3.35Å; E56-R60 PolarHBondContact O-N 3.36Å; A57-R60 PolarHBondContact O-N 3.45Å; A58-R60 VanDerWaalsContact C-N 3.29Å; A58-R60 PolarHBondContact O-N 2.62Å; R60-I62 PolarHBondContact O-N 3.19Å; R60-N63 PolarHBondContact O-N 3.33Å; R60-E64 HydrophobicContact CG-CG 4.32Å; R60-E64 WeakPolarHBondContact CG-OE1 3.49Å; R60-E64 IonicContact CZ-OE1 3.77Å; R60-E64 IonicContact NE-OE1 2.76Å; R60-E64 PolarHBondContact NE-OE1 3.41Å; R60-E64 IonicContact NH2-OE1 3.96Å; R60-E64 PolarHBondContact NH2-OE1 3.35Å; R60-E64 VanDerWaalsContact O-CB 3.28Å; R60-E64 WeakPolarHBondContact O-CB 3.23Å; R60-E64 VanDerWaalsContact O-CG 3.31Å; R60-E64 WeakPolarHBondContact O-CG 3.36Å; R60-E64 PolarHBondContact O-N 3.45Å
61	I	98.9	Very high	98.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-47.2	177.2	-68	169.2	0	0	0	110.8	L32 Y33 L43 L53 A57 A58 G65 L128 W131 A132 I135	L32-I61 HydrophobicContact CD2-CD1 3.75Å; Y33-I61 HydrophobicContact CE2-CG1 4.23Å; Y33-I61 WeakPolarHBondContact OH-CG1 3.33Å; L43-I61 HydrophobicContact CD2-CD1 4.37Å; L53-I61 HydrophobicContact CD1-CD1 3.74Å; A57-I61 WeakPolarHBondContact O-CG1 3.44Å; A57-I61 PolarHBondContact O-N 2.93Å; A58-I61 PolarHBondContact O-N 3.07Å; I61-G65 PolarHBondContact O-N 2.9Å; I61-L128 HydrophobicContact CB-CD2 4.36Å; I61-L128 HydrophobicContact CD1-CD2 4.44Å; I61-L128 HydrophobicContact CG2-CD2 4.36Å; I61-L128 WeakPolarHBondContact CG2-O 3.27Å; I61-W131 HydrophobicContact CG2-CB 3.69Å; I61-A132 HydrophobicContact CG2-CB 4.28Å; I61-I135 HydrophobicContact CG2-CD1 4.24Å
62	I	98.9	Very high	98.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-49.1	-177.9	-66.1	160.7	0	0	0	110.3	A58 L59 R60 G65 A66 L128 V171 A174 A178	A58-I62 WeakPolarHBondContact O-CD1 3.36Å; A58-I62 VanDerWaalsContact O-CG1 3.3Å; A58-I62 WeakPolarHBondContact O-CG1 3.32Å; A58-I62 PolarHBondContact O-N 3.19Å; L59-I62 PolarHBondContact O-N 2.81Å; R60-I62 PolarHBondContact O-N 3.19Å; I62-G65 PolarHBondContact O-N 2.82Å; I62-A66 VanDerWaalsContact O-CB 3.3Å; I62-A66 WeakPolarHBondContact O-CB 3.46Å; I62-A66 PolarHBondContact O-N 3.44Å; I62-L128 HydrophobicContact CD1-CD2 4.24Å; I62-L128 HydrophobicContact CG1-CD2 4.15Å; I62-V171 HydrophobicContact CD1-CG1 3.84Å; I62-A174 HydrophobicContact CG2-CB 3.95Å; I62-A174 WeakPolarHBondContact CG2-O 3.31Å; I62-A178 HydrophobicContact CG2-CB 3.84Å
63	N	98.9	Very high	98.7	Very high	77 Å²	77	49.7 Å²	49.7	41%	0.412	23%	0.229	S	C	.	.	H	α-helix	trans	-69.4	-39.2	-177.5	-70.2	-30.5	0	0	0	113.1	L59 R60 A66 S67	L59-N63 VanDerWaalsContact O-CB 3.27Å; L59-N63 WeakPolarHBondContact O-CB 3.41Å; L59-N63 PolarHBondContact O-N 3.13Å; L59-N63 PolarHBondContact O-ND2 2.83Å; L59-N63 VanDerWaalsContact O-ND2 3.1Å; R60-N63 PolarHBondContact O-N 3.33Å; N63-A66 PolarHBondContact O-N 2.76Å; N63-S67 WeakPolarHBondContact O-CB 3.43Å; N63-S67 PolarHBondContact O-N 2.84Å
64	E	98.8	Very high	98.7	Very high	51 Å²	51	50.1 Å²	50.1	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-45	175.2	-76.5	177.2	177.8	0	0	111	Y33 R60 S67 I68 I135	Y33-E64 VanDerWaalsContact CE1-OE2 3.28Å; Y33-E64 WeakPolarHBondContact CE1-OE2 3.46Å; Y33-E64 PolarHBondContact OH-OE2 2.93Å; R60-E64 HydrophobicContact CG-CG 4.32Å; R60-E64 WeakPolarHBondContact CG-OE1 3.49Å; R60-E64 IonicContact CZ-OE1 3.77Å; R60-E64 IonicContact NE-OE1 2.76Å; R60-E64 PolarHBondContact NE-OE1 3.41Å; R60-E64 IonicContact NH2-OE1 3.96Å; R60-E64 PolarHBondContact NH2-OE1 3.35Å; R60-E64 VanDerWaalsContact O-CB 3.28Å; R60-E64 WeakPolarHBondContact O-CB 3.23Å; R60-E64 VanDerWaalsContact O-CG 3.31Å; R60-E64 WeakPolarHBondContact O-CG 3.36Å; R60-E64 PolarHBondContact O-N 3.45Å; E64-S67 WeakPolarHBondContact O-CB 3.47Å; E64-S67 PolarHBondContact O-N 3.42Å; E64-I68 PolarHBondContact O-N 3.33Å; E64-I135 HydrophobicContact CB-CD1 3.63Å; E64-I135 HydrophobicContact CB-CG1 4.04Å
65	G	98.9	Very high	98.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-43.3	174.9	0	0	0	0	0	112.4	I61 I62 S67 I68 L69	I61-G65 PolarHBondContact O-N 2.9Å; I62-G65 PolarHBondContact O-N 2.82Å; G65-S67 VanDerWaalsContact C-N 3.3Å; G65-S67 PolarHBondContact O-N 2.96Å; G65-I68 WeakPolarHBondContact O-CB 3.5Å; G65-I68 PolarHBondContact O-N 2.81Å; G65-I68 VanDerWaalsContact O-N 3.11Å; G65-L69 WeakPolarHBondContact O-CG 3.1Å; G65-L69 PolarHBondContact O-N 2.94Å
66	A	98.9	Very high	98.8	Very high	2 Å²	2	44 Å²	44	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-40	174.1	0	0	0	0	0	112.4	I62 N63 I68 L69 R70 A178	I62-A66 VanDerWaalsContact O-CB 3.3Å; I62-A66 WeakPolarHBondContact O-CB 3.46Å; I62-A66 PolarHBondContact O-N 3.44Å; N63-A66 PolarHBondContact O-N 2.76Å; A66-I68 VanDerWaalsContact C-N 3.28Å; A66-I68 PolarHBondContact O-N 2.99Å; A66-L69 PolarHBondContact O-N 2.76Å; A66-R70 VanDerWaalsContact O-CB 3.23Å; A66-R70 WeakPolarHBondContact O-CB 3.29Å; A66-R70 PolarHBondContact O-N 3.29Å; A66-A178 HydrophobicContact CB-CB 3.71Å
67	S	98.8	Very high	98.8	Very high	48 Å²	48	41.7 Å²	41.7	34%	0.336	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-35.1	176.4	-173.7	0	0	0	0	112.8	N63 E64 G65 K71	N63-S67 WeakPolarHBondContact O-CB 3.43Å; N63-S67 PolarHBondContact O-N 2.84Å; E64-S67 WeakPolarHBondContact O-CB 3.47Å; E64-S67 PolarHBondContact O-N 3.42Å; G65-S67 VanDerWaalsContact C-N 3.3Å; G65-S67 PolarHBondContact O-N 2.96Å; S67-K71 WeakPolarHBondContact O-CG 3.42Å
68	I	98.9	Very high	98.8	Very high	41 Å²	41	41.9 Å²	41.9	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-70.7	-54.7	174	-62.6	166.7	0	0	0	109.8	E64 G65 A66 R70 K71 K134 I135 P138	E64-I68 PolarHBondContact O-N 3.33Å; G65-I68 WeakPolarHBondContact O-CB 3.5Å; G65-I68 PolarHBondContact O-N 2.81Å; G65-I68 VanDerWaalsContact O-N 3.11Å; A66-I68 VanDerWaalsContact C-N 3.28Å; A66-I68 PolarHBondContact O-N 2.99Å; I68-R70 PolarHBondContact O-N 2.91Å; I68-K71 WeakPolarHBondContact O-CB 3.3Å; I68-K71 PolarHBondContact O-N 2.84Å; I68-K134 HydrophobicContact CG2-CD 4.46Å; I68-K134 HydrophobicContact CG2-CG 4.36Å; I68-I135 HydrophobicContact CD1-CB 4.36Å; I68-I135 HydrophobicContact CD1-CG1 4.05Å; I68-P138 HydrophobicContact CG2-CB 4.08Å
69	L	98.8	Very high	98.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.1	-37.9	-178.7	-66.6	169.1	0	0	0	112.2	G65 A66 K71 E72 W131 K134 L143 C181 L182 R214	G65-L69 WeakPolarHBondContact O-CG 3.1Å; G65-L69 PolarHBondContact O-N 2.94Å; A66-L69 PolarHBondContact O-N 2.76Å; L69-K71 PolarHBondContact O-N 2.78Å; L69-E72 WeakPolarHBondContact CD2-OE2 3.49Å; L69-E72 WeakPolarHBondContact O-CB 3.49Å; L69-E72 PolarHBondContact O-N 3.42Å; L69-W131 HydrophobicContact CD1-CZ2 3.96Å; L69-K134 HydrophobicContact CD2-CG 4.43Å; L69-L143 HydrophobicContact CD2-CB 4.4Å; L69-C181 HydrophobicContact CB-CB 3.86Å; L69-L182 HydrophobicContact CD1-CD2 3.71Å; L69-L182 HydrophobicContact CD1-CG 4.27Å; L69-L182 HydrophobicContact CD2-CD2 4.09Å; L69-R214 PolarHBondContact O-NH2 2.86Å
70	R	98.8	Very high	98.6	Very high	113 Å²	113	48.9 Å²	48.9	43%	0.426	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-30	178.7	-171.4	175.8	-63.7	110.1	-1.9	113.3	A66 I68 E72 C181 F215	A66-R70 VanDerWaalsContact O-CB 3.23Å; A66-R70 WeakPolarHBondContact O-CB 3.29Å; A66-R70 PolarHBondContact O-N 3.29Å; I68-R70 PolarHBondContact O-N 2.91Å; R70-E72 VanDerWaalsContact C-N 3.34Å; R70-C181 HydrophobicContact CB-CB 4.22Å; R70-C181 VanDerWaalsContact CZ-SG 3.58Å; R70-C181 PolarHBondContact NH2-SG 3.06Å; R70-F215 HydrophobicContact CB-CE1 4.48Å; R70-F215 HydrophobicContact CG-CE1 3.97Å; R70-F215 HydrophobicContact CG-CZ 4.3Å
71	K	98.7	Very high	98.6	Very high	172 Å²	172	48.6 Å²	48.6	75%	0.748	24%	0.24	S	C	*	.	H	α-helix	trans	-81.6	-16.9	178.1	-64.9	170.3	-174.3	173.1	0	112.4	S67 I68 L69	S67-K71 WeakPolarHBondContact O-CG 3.42Å; I68-K71 WeakPolarHBondContact O-CB 3.3Å; I68-K71 PolarHBondContact O-N 2.84Å; L69-K71 PolarHBondContact O-N 2.78Å
72	E	98.7	Very high	98.6	Very high	33 Å²	33	48.8 Å²	48.8	15%	0.154	24%	0.241	C	C	.	.	S	Bend	trans	-74.2	153.5	179.2	-60.7	-172.9	132.9	0	0	111.6	L69 R70 L76 K134 P183 R214	L69-E72 WeakPolarHBondContact CD2-OE2 3.49Å; L69-E72 WeakPolarHBondContact O-CB 3.49Å; L69-E72 PolarHBondContact O-N 3.42Å; R70-E72 VanDerWaalsContact C-N 3.34Å; E72-L76 HydrophobicContact CB-CD2 3.83Å; E72-L76 HydrophobicContact CG-CD2 4.39Å; E72-K134 WeakPolarHBondContact OE1-CE 3.46Å; E72-K134 IonicContact OE1-NZ 3.63Å; E72-K134 PolarHBondContact OE1-NZ 3.37Å; E72-K134 IonicContact OE2-NZ 2.95Å; E72-P183 HydrophobicContact CB-CG 4.07Å; E72-R214 PolarHBondContact O-NH1 2.9Å; E72-R214 PolarHBondContact O-NH2 3Å
73	K	98.6	Very high	98.6	Very high	124 Å²	124	48.9 Å²	48.9	54%	0.539	24%	0.242	S	C	.	.			trans	-66.4	157.9	175.6	-64.1	178.6	-175.2	173.6	0	110.3	M75 E77	K73-M75 VanDerWaalsContact C-N 3.29Å; K73-M75 VanDerWaalsContact CB-O 3.28Å; K73-M75 WeakPolarHBondContact CB-O 3.13Å; K73-M75 PolarHBondContact O-N 3.28Å; K73-E77 IonicContact NZ-OE2 3.59Å; K73-E77 PolarHBondContact NZ-OE2 2.92Å
74	C	98.6	Very high	98.6	Very high	9 Å²	9	45.2 Å²	45.2	6%	0.061	22%	0.222	C	C	.	.	S	Bend	trans	-60.9	-40.6	173.2	-174.1	0	0	0	0	112	L184 A185 I209	C74-L184 PolarHBondContact O-N 3.28Å; C74-A185 PolarHBondContact O-N 3.27Å; C74-I209 PolarHBondContact SG-O 3.12Å; C74-I209 VanDerWaalsContact SG-O 3.38Å
75	M	98.8	Very high	98.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.2	168.8	-172.2	178.6	77.9	0	0	109.3	K73 A185 L187 L193 L206 I209 R210	K73-M75 VanDerWaalsContact C-N 3.29Å; K73-M75 VanDerWaalsContact CB-O 3.28Å; K73-M75 WeakPolarHBondContact CB-O 3.13Å; K73-M75 PolarHBondContact O-N 3.28Å; M75-A185 CarbonylContact C-O 3.27Å; M75-A185 WeakPolarHBondContact CA-O 3.47Å; M75-A185 HydrophobicContact CB-CB 4.37Å; M75-A185 HydrophobicContact CG-CB 3.9Å; M75-L187 HydrophobicContact CE-CB 4.09Å; M75-L187 HydrophobicContact CE-CD2 4.38Å; M75-L187 HydrophobicContact SD-CB 4.39Å; M75-L193 HydrophobicContact SD-CD1 4.5Å; M75-L206 HydrophobicContact CE-CB 4.05Å; M75-L206 HydrophobicContact CE-CD1 4.47Å; M75-L206 HydrophobicContact SD-CB 4.27Å; M75-L206 HydrophobicContact SD-CD2 3.94Å; M75-I209 HydrophobicContact CB-CG2 4.06Å; M75-I209 HydrophobicContact SD-CD1 4.38Å; M75-R210 HydrophobicContact CB-CG 4.23Å; M75-R210 HydrophobicContact CE-CG 4.06Å; M75-R210 VanDerWaalsContact CE-CZ 3.43Å; M75-R210 VanDerWaalsContact CE-NH2 3.31Å
76	L	98.8	Very high	98.6	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	155.9	176.5	-58.6	178.4	0	0	0	110.9	E72 V78 F142 L144 P183 A185 A186 L187	E72-L76 HydrophobicContact CB-CD2 3.83Å; E72-L76 HydrophobicContact CG-CD2 4.39Å; L76-V78 HydrophobicContact CB-CG1 4.14Å; L76-F142 HydrophobicContact CD1-CB 3.83Å; L76-F142 HydrophobicContact CD1-CD1 3.93Å; L76-F142 HydrophobicContact CD1-CG 4.19Å; L76-L144 HydrophobicContact CD1-CD2 3.85Å; L76-L144 HydrophobicContact CG-CD2 4.4Å; L76-P183 HydrophobicContact CD1-CB 4.12Å; L76-P183 HydrophobicContact CD1-CG 4.06Å; L76-P183 HydrophobicContact CD2-CB 4.09Å; L76-P183 HydrophobicContact CD2-CG 3.74Å; L76-P183 HydrophobicContact CG-CB 3.79Å; L76-P183 HydrophobicContact CG-CG 3.92Å; L76-A185 PolarHBondContact N-O 3.14Å; L76-A186 HydrophobicContact CB-CB 3.88Å; L76-A186 CarbonylContact O-C 3.1Å; L76-A186 WeakPolarHBondContact O-CA 3.32Å; L76-L187 PolarHBondContact O-N 3.5Å
77	E	98.6	Very high	98.6	Very high	88 Å²	88	42.8 Å²	42.8	41%	0.411	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.4	168.8	-72.5	165	169.8	0	0	106.3	K73 R210	K73-E77 IonicContact NZ-OE2 3.59Å; K73-E77 PolarHBondContact NZ-OE2 2.92Å; E77-R210 IonicContact OE1-NH2 3.44Å
78	V	98.3	Very high	98.6	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.6	-171.7	-62.1	0	0	0	0	110.8	L76 I82 F142 A186 L187 L188 N189	L76-V78 HydrophobicContact CB-CG1 4.14Å; V78-I82 HydrophobicContact CB-CD1 4.24Å; V78-I82 HydrophobicContact CG2-CD1 4.08Å; V78-F142 HydrophobicContact CB-CD2 4.43Å; V78-F142 HydrophobicContact CB-CE2 4.3Å; V78-F142 HydrophobicContact CG1-CD1 4Å; V78-F142 HydrophobicContact CG1-CD2 3.65Å; V78-F142 HydrophobicContact CG1-CE1 4.01Å; V78-F142 HydrophobicContact CG1-CE2 3.67Å; V78-F142 HydrophobicContact CG1-CG 3.82Å; V78-F142 HydrophobicContact CG1-CZ 3.84Å; V78-A186 HydrophobicContact CG2-CB 4.15Å; V78-L187 PolarHBondContact N-O 3.49Å; V78-L188 HydrophobicContact CG2-CB 3.92Å; V78-L188 HydrophobicContact CG2-CD1 3.88Å; V78-L188 CarbonylContact O-C 3.53Å; V78-L188 WeakPolarHBondContact O-CA 3.41Å; V78-N189 PolarHBondContact O-N 3.35Å
79	E	97.8	Very high	98.6	Very high	139 Å²	139	38.9 Å²	38.9	65%	0.65	19%	0.186	S	C	*	.			trans	-104.8	154.7	-177.1	-61.8	-175.1	163	0	0	112.3	R109	E79-R109 PolarHBondContact O-NE 2.81Å
80	A	96.9	Very high	98.5	Very high	31 Å²	31	38.9 Å²	38.9	26%	0.256	19%	0.186	S	C	.	.	S	Bend	trans	-73.4	155.9	167.9	0	0	0	0	0	111	Y321	A80-Y321 HydrophobicContact CB-CD1 3.53Å; A80-Y321 HydrophobicContact CB-CE1 3.67Å
81	P	98	Very high	98.5	Very high	79 Å²	79	34.5 Å²	34.5	51%	0.513	17%	0.171	S	C	.	.	S	Bend	cis	-74.8	143.7	-0.1	31.5	-35.6	0	0	0	112.5	R109 Y321 E322	P81-R109 WeakPolarHBondContact O-CB 3.46Å; P81-R109 WeakPolarHBondContact O-CD 3.35Å; P81-Y321 CarbonylContact C-O 3.57Å; P81-Y321 WeakPolarHBondContact CA-O 3.29Å; P81-E322 HydrophobicContact CB-CB 3.79Å
82	I	98.7	Very high	98.5	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.3	-178.3	-158.4	162	0	0	0	112.2	V78 V84 R109 L111 F142 L188 Y321	V78-I82 HydrophobicContact CB-CD1 4.24Å; V78-I82 HydrophobicContact CG2-CD1 4.08Å; I82-V84 HydrophobicContact CG2-CG2 4.02Å; I82-R109 HydrophobicContact CB-CB 4.34Å; I82-R109 HydrophobicContact CD1-CB 4.41Å; I82-R109 HydrophobicContact CG1-CB 3.91Å; I82-L111 HydrophobicContact CD1-CB 3.77Å; I82-L111 HydrophobicContact CG1-CB 4.35Å; I82-F142 HydrophobicContact CD1-CD2 4.49Å; I82-L188 HydrophobicContact CB-CD1 4.34Å; I82-L188 HydrophobicContact CD1-CD1 4.29Å; I82-L188 HydrophobicContact CG2-CD1 3.51Å; I82-L188 HydrophobicContact CG2-CD2 3.73Å; I82-L188 HydrophobicContact CG2-CG 4.29Å; I82-Y321 PolarHBondContact N-O 3.36Å; I82-Y321 PolarHBondContact O-N 3.03Å
83	T	98.9	Very high	98.5	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.2	167	-57.1	0	0	0	0	109.5	T108 R109 Y110 L111 V318 L319 K320	T83-T108 WeakPolarHBondContact OG1-CG2 3.37Å; T83-R109 PolarHBondContact N-O 3.2Å; T83-Y110 HydrophobicContact CG2-CD1 4.14Å; T83-Y110 HydrophobicContact CG2-CE1 3.64Å; T83-Y110 WeakPolarHBondContact O-CA 3.47Å; T83-L111 PolarHBondContact O-N 2.92Å; T83-V318 HydrophobicContact CG2-CB 3.8Å; T83-V318 HydrophobicContact CG2-CG1 4.35Å; T83-V318 HydrophobicContact CG2-CG2 3.9Å; T83-L319 CarbonylContact C-O 3.53Å; T83-L319 WeakPolarHBondContact CA-O 3.41Å; T83-K320 HydrophobicContact CG2-CG 4.22Å
84	V	98.9	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.9	176.9	-171.7	0	0	0	0	109.7	I82 L111 L113 L188 I275 V318 L319	I82-V84 HydrophobicContact CG2-CG2 4.02Å; V84-L111 CarbonylContact C-O 3.45Å; V84-L111 VanDerWaalsContact CA-O 3.3Å; V84-L111 WeakPolarHBondContact CA-O 3.49Å; V84-L111 HydrophobicContact CG1-CD2 4.37Å; V84-L111 HydrophobicContact CG2-CB 4.43Å; V84-L111 HydrophobicContact CG2-CD2 4.39Å; V84-L113 HydrophobicContact CG1-CD1 3.84Å; V84-L113 HydrophobicContact CG1-CD2 3.96Å; V84-L113 HydrophobicContact CG1-CG 3.89Å; V84-L188 HydrophobicContact CG2-CD2 3.97Å; V84-I275 HydrophobicContact CG1-CG2 4.17Å; V84-V318 WeakPolarHBondContact O-CA 3.15Å; V84-L319 HydrophobicContact CB-CB 4.28Å; V84-L319 HydrophobicContact CG2-CD2 4.26Å; V84-L319 PolarHBondContact N-O 3.45Å; V84-L319 PolarHBondContact O-N 2.98Å
85	C	98.9	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.2	-175.2	-50.2	0	0	0	0	109.8	L98 L111 F112 L113 V318	C85-L98 HydrophobicContact CB-CD1 4.14Å; C85-L111 PolarHBondContact N-O 2.91Å; C85-F112 HydrophobicContact CB-CD1 3.6Å; C85-F112 HydrophobicContact CB-CE1 3.71Å; C85-F112 HydrophobicContact CB-CG 4.1Å; C85-F112 HydrophobicContact CB-CZ 4.29Å; C85-L113 WeakPolarHBondContact O-CB 3.48Å; C85-L113 VanDerWaalsContact O-CG 3.32Å; C85-L113 WeakPolarHBondContact O-CG 3.28Å; C85-L113 PolarHBondContact O-N 3.02Å; C85-V318 HydrophobicContact CB-CG1 4.33Å
86	G	98.9	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.			trans	-88.4	-149.8	173.4	0	0	0	0	0	112.2	I302 S304	G86-I302 WeakPolarHBondContact CA-O 3.25Å; G86-S304 PolarHBondContact N-OG 3.34Å
87	D	98.9	Very high	98.5	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.011	12%	0.121	C	C	.	.			trans	-58.3	144.1	-175.1	-47.2	3.6	0	0	0	112.3	H89 D115 H196 A277 H278 F303 S304 A305	D87-H89 IonicContact OD2-NE2 3.9Å; D87-D115 HydrophobicContact CB-CB 3.98Å; D87-H196 IonicContact OD1-CE1 2.91Å; D87-H196 PolarHBondContact OD1-CE1 2.87Å; D87-H196 VanDerWaalsContact OD1-CE1 3.3Å; D87-H196 IonicContact OD1-ND1 3.84Å; D87-A277 WeakPolarHBondContact OD1-CB 3.42Å; D87-H278 PolarHBondContact OD1-N 3.49Å; D87-H278 VanDerWaalsContact OD2-CA 3.3Å; D87-H278 WeakPolarHBondContact OD2-CA 3.3Å; D87-H278 PolarHBondContact OD2-N 3.36Å; D87-F303 HydrophobicContact CB-CD2 3.85Å; D87-F303 HydrophobicContact CB-CE2 3.66Å; D87-F303 WeakPolarHBondContact OD2-CD2 3.35Å; D87-F303 VanDerWaalsContact OD2-CE2 3.23Å; D87-F303 WeakPolarHBondContact OD2-CE2 3.37Å; D87-S304 CarbonylContact O-C 3.6Å; D87-S304 VanDerWaalsContact O-CA 3.27Å; D87-S304 WeakPolarHBondContact O-CA 3.18Å; D87-S304 VanDerWaalsContact O-CB 3.3Å; D87-S304 WeakPolarHBondContact O-CB 3.47Å; D87-S304 PolarHBondContact O-N 2.98Å; D87-A305 PolarHBondContact O-N 2.79Å; D87-A305 VanDerWaalsContact O-N 3.12Å
88	V	98.8	Very high	98.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.024	10%	0.102	C	C	.	.			trans	-117.4	-35.8	-179.8	-178.4	0	0	0	0	111.9	G90 Q91 L95 F112 D115	V88-G90 PolarHBondContact O-N 3.37Å; V88-Q91 WeakPolarHBondContact O-CB 3.4Å; V88-Q91 PolarHBondContact O-N 2.85Å; V88-L95 HydrophobicContact CG1-CB 4.22Å; V88-L95 HydrophobicContact CG1-CD1 4.4Å; V88-L95 HydrophobicContact CG2-CD1 4.47Å; V88-F112 HydrophobicContact CG2-CD1 4.17Å; V88-F112 HydrophobicContact CG2-CE1 4.26Å; V88-D115 PolarHBondContact N-O 2.97Å
89	H	98.5	Very high	98.6	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.019	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	50	174.6	-75.2	-54.5	0	0	0	114.9	D87 Q91 D115 V117 D118 R119 G120 H148 Y308	D87-H89 IonicContact OD2-NE2 3.9Å; H89-Q91 PolarHBondContact O-N 3.4Å; H89-D115 IonicContact CE1-OD2 3.93Å; H89-D115 PolarHBondContact N-O 3.27Å; H89-D115 IonicContact NE2-OD2 2.91Å; H89-V117 PolarHBondContact ND1-O 2.91Å; H89-V117 VanDerWaalsContact ND1-O 3.13Å; H89-D118 CarbonylContact C-O 3.59Å; H89-D118 WeakPolarHBondContact CA-O 3.4Å; H89-R119 HydrophobicContact CB-CB 4.25Å; H89-R119 HydrophobicContact CB-CG 4.42Å; H89-G120 WeakPolarHBondContact O-CA 3.32Å; H89-G120 PolarHBondContact O-N 3.19Å; H89-H148 AromaticContact CE1-CD2 3.59Å; H89-H148 AromaticContact CE1-NE2 3.7Å; H89-Y308 HydrophobicContact CB-CE2 3.88Å; H89-Y308 AromaticContact CD2-CE2 3.45Å; H89-Y308 VanDerWaalsContact CD2-CE2 3.45Å; H89-Y308 WeakPolarHBondContact CD2-CE2 3.46Å; H89-Y308 AromaticContact CD2-CZ 3.88Å; H89-Y308 AromaticContact CG-CE2 3.8Å
90	G	98.4	Very high	98.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	18.2	176.4	0	0	0	0	0	115.3	V88 F92 Y116 F122	V88-G90 PolarHBondContact O-N 3.37Å; G90-F92 VanDerWaalsContact C-N 3.28Å; G90-F92 PolarHBondContact O-N 2.9Å; G90-F92 VanDerWaalsContact O-N 3.12Å; G90-Y116 PolarHBondContact N-O 3.45Å; G90-F122 CarbonylContact O-C 3.46Å; G90-F122 WeakPolarHBondContact O-CA 3.35Å; G90-F122 VanDerWaalsContact O-CB 3.3Å; G90-F122 WeakPolarHBondContact O-CB 3.38Å; G90-F122 PolarHBondContact O-N 3.37Å; G90-F122 VanDerWaalsContact O-N 3.08Å
91	Q	98.7	Very high	98.6	Very high	21 Å²	21	20.1 Å²	20.1	10%	0.098	10%	0.103	C	C	.	.			trans	-85.1	64.7	173.6	-68.4	-174.7	-154.8	0	0	111.2	V88 H89 F93 D94 L95 P306	V88-Q91 WeakPolarHBondContact O-CB 3.4Å; V88-Q91 PolarHBondContact O-N 2.85Å; H89-Q91 PolarHBondContact O-N 3.4Å; Q91-F93 VanDerWaalsContact C-N 3.26Å; Q91-F93 PolarHBondContact O-N 3Å; Q91-F93 VanDerWaalsContact O-N 3.15Å; Q91-D94 HydrophobicContact CB-CB 4.07Å; Q91-D94 PolarHBondContact NE2-OD2 2.86Å; Q91-D94 PolarHBondContact O-N 2.94Å; Q91-L95 PolarHBondContact O-N 2.99Å; Q91-P306 PolarHBondContact NE2-O 2.93Å
92	F	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-54.6	-36.8	-174.1	177.8	-106.2	0	0	0	114.3	L47 V48 G90 D94 L95 M96 F122 E125 C126 Y129	L47-F92 HydrophobicContact CB-CE1 3.66Å; L47-F92 HydrophobicContact CB-CE2 4.36Å; L47-F92 HydrophobicContact CB-CZ 3.5Å; L47-F92 HydrophobicContact CD1-CE2 4.13Å; L47-F92 HydrophobicContact CD1-CZ 4.03Å; L47-F92 HydrophobicContact CG-CZ 4.43Å; V48-F92 HydrophobicContact CG2-CE1 3.89Å; V48-F92 HydrophobicContact CG2-CZ 4.45Å; G90-F92 VanDerWaalsContact C-N 3.28Å; G90-F92 PolarHBondContact O-N 2.9Å; G90-F92 VanDerWaalsContact O-N 3.12Å; F92-D94 VanDerWaalsContact C-N 3.34Å; F92-L95 HydrophobicContact CD2-CD2 4.48Å; F92-L95 WeakPolarHBondContact O-CB 3.28Å; F92-L95 PolarHBondContact O-N 3.09Å; F92-M96 HydrophobicContact CD2-CE 4.01Å; F92-M96 HydrophobicContact CE1-CE 4.44Å; F92-M96 HydrophobicContact CE1-CG 4.44Å; F92-M96 HydrophobicContact CE2-CE 3.45Å; F92-M96 VanDerWaalsContact CE2-CE 3.45Å; F92-M96 HydrophobicContact CE2-SD 4.41Å; F92-M96 HydrophobicContact CZ-CE 3.7Å; F92-M96 HydrophobicContact CZ-CG 4.48Å; F92-M96 HydrophobicContact CZ-SD 4.05Å; F92-M96 PolarHBondContact O-N 2.89Å; F92-M96 VanDerWaalsContact O-N 3.14Å; F92-F122 HydrophobicContact CB-CB 3.49Å; F92-F122 VanDerWaalsContact CB-CB 3.49Å; F92-F122 HydrophobicContact CB-CG 4.35Å; F92-E125 HydrophobicContact CB-CB 4.11Å; F92-E125 HydrophobicContact CD1-CB 4.15Å; F92-E125 HydrophobicContact CD2-CB 3.71Å; F92-E125 HydrophobicContact CE2-CB 4.16Å; F92-E125 HydrophobicContact CG-CB 3.71Å; F92-C126 VanDerWaalsContact CA-SG 3.53Å; F92-Y129 HydrophobicContact CE2-CD1 4.34Å; F92-Y129 HydrophobicContact CE2-CG 4.08Å
93	F	98.7	Very high	98.6	Very high	25 Å²	25	17 Å²	17	11%	0.11	9%	0.087	C	C	.	.	H	α-helix	trans	-69.8	-34.5	179.6	-67.2	-95.4	0	0	0	111.7	V48 Q91 M96 K97 F122 H336 P337	V48-F93 HydrophobicContact CG1-CE1 4.38Å; V48-F93 WeakPolarHBondContact O-CE1 3.41Å; Q91-F93 VanDerWaalsContact C-N 3.26Å; Q91-F93 PolarHBondContact O-N 3Å; Q91-F93 VanDerWaalsContact O-N 3.15Å; F93-M96 WeakPolarHBondContact O-CB 3.42Å; F93-M96 PolarHBondContact O-N 3.08Å; F93-K97 PolarHBondContact O-N 3.33Å; F93-F122 HydrophobicContact CD2-CD2 4.15Å; F93-F122 HydrophobicContact CD2-CE2 4.2Å; F93-F122 HydrophobicContact CD2-CG 4.4Å; F93-F122 HydrophobicContact CD2-CZ 4.49Å; F93-F122 AromaticContact CE2-CD1 3.91Å; F93-F122 HydrophobicContact CE2-CD1 3.91Å; F93-F122 HydrophobicContact CE2-CD2 4.08Å; F93-F122 AromaticContact CE2-CE1 3.8Å; F93-F122 HydrophobicContact CE2-CE1 3.8Å; F93-F122 AromaticContact CE2-CE2 3.97Å; F93-F122 HydrophobicContact CE2-CE2 3.97Å; F93-F122 HydrophobicContact CE2-CG 4.05Å; F93-F122 AromaticContact CE2-CZ 3.83Å; F93-F122 HydrophobicContact CE2-CZ 3.83Å; F93-H336 HydrophobicContact CB-CB 4.08Å; F93-H336 HydrophobicContact CD2-CB 3.45Å; F93-H336 VanDerWaalsContact CD2-CB 3.45Å; F93-H336 HydrophobicContact CE2-CB 4.06Å; F93-H336 HydrophobicContact CG-CB 3.77Å; F93-P337 HydrophobicContact CE1-CG 4.38Å; F93-P337 HydrophobicContact CE2-CG 4.09Å; F93-P337 HydrophobicContact CZ-CG 3.69Å
94	D	98.8	Very high	98.5	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.027	11%	0.106	C	C	.	.	H	α-helix	trans	-74.9	-31.6	172.6	-63.4	-51	0	0	0	112.1	Q91 F92 M96 K97 L98 P306 C333 S334	Q91-D94 HydrophobicContact CB-CB 4.07Å; Q91-D94 PolarHBondContact NE2-OD2 2.86Å; Q91-D94 PolarHBondContact O-N 2.94Å; F92-D94 VanDerWaalsContact C-N 3.34Å; D94-M96 PolarHBondContact O-N 3.21Å; D94-K97 CarbonylContact O-C 3.55Å; D94-K97 WeakPolarHBondContact O-CA 3.23Å; D94-K97 WeakPolarHBondContact O-CB 3.32Å; D94-K97 PolarHBondContact O-N 3.38Å; D94-L98 PolarHBondContact O-N 3.32Å; D94-P306 HydrophobicContact CB-CG 3.84Å; D94-P306 VanDerWaalsContact CG-CG 3.49Å; D94-C333 VanDerWaalsContact OD1-CA 3.28Å; D94-C333 WeakPolarHBondContact OD1-CA 3.33Å; D94-S334 WeakPolarHBondContact OD1-CB 3.49Å; D94-S334 PolarHBondContact OD1-N 2.71Å; D94-S334 PolarHBondContact OD1-OG 2.65Å
95	L	98.8	Very high	98.5	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-59.3	-35.3	170.1	-178.8	63.4	0	0	0	111.5	V88 Q91 F92 K97 L98 F99 F112 C126 Y129 L130	V88-L95 HydrophobicContact CG1-CB 4.22Å; V88-L95 HydrophobicContact CG1-CD1 4.4Å; V88-L95 HydrophobicContact CG2-CD1 4.47Å; Q91-L95 PolarHBondContact O-N 2.99Å; F92-L95 HydrophobicContact CD2-CD2 4.48Å; F92-L95 WeakPolarHBondContact O-CB 3.28Å; F92-L95 PolarHBondContact O-N 3.09Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-L98 HydrophobicContact CD1-CD1 4.34Å; L95-L98 HydrophobicContact CD1-CD2 4.36Å; L95-L98 WeakPolarHBondContact O-CB 3.14Å; L95-L98 PolarHBondContact O-N 3.14Å; L95-F99 HydrophobicContact CD1-CD2 4.31Å; L95-F99 HydrophobicContact CD1-CE2 3.66Å; L95-F99 HydrophobicContact CD1-CZ 4.11Å; L95-F99 HydrophobicContact CD2-CE2 4.29Å; L95-F99 HydrophobicContact CG-CD2 4.23Å; L95-F99 HydrophobicContact CG-CE2 3.72Å; L95-F99 WeakPolarHBondContact O-CD2 3.48Å; L95-F99 PolarHBondContact O-N 3.19Å; L95-F112 HydrophobicContact CD1-CE1 3.83Å; L95-F112 HydrophobicContact CD1-CZ 4.1Å; L95-C126 HydrophobicContact CD2-CB 4.34Å; L95-Y129 HydrophobicContact CD2-CD1 4.44Å; L95-L130 HydrophobicContact CD1-CD2 4.39Å; L95-L130 HydrophobicContact CD2-CD1 4.3Å; L95-L130 HydrophobicContact CD2-CD2 4.24Å; L95-L130 HydrophobicContact CD2-CG 4.05Å
96	M	98.6	Very high	98.4	Very high	22 Å²	22	23.8 Å²	23.8	11%	0.108	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-39.8	172.3	-62.1	-54.9	98.1	0	0	111.9	K44 V48 F92 F93 D94 F99 E100 Y129	K44-M96 HydrophobicContact CD-SD 3.85Å; K44-M96 VanDerWaalsContact CE-SD 3.54Å; K44-M96 HydrophobicContact CG-SD 3.76Å; V48-M96 HydrophobicContact CG2-CG 4.1Å; V48-M96 HydrophobicContact CG2-SD 4.46Å; F92-M96 HydrophobicContact CD2-CE 4.01Å; F92-M96 HydrophobicContact CE1-CE 4.44Å; F92-M96 HydrophobicContact CE1-CG 4.44Å; F92-M96 HydrophobicContact CE2-CE 3.45Å; F92-M96 VanDerWaalsContact CE2-CE 3.45Å; F92-M96 HydrophobicContact CE2-SD 4.41Å; F92-M96 HydrophobicContact CZ-CE 3.7Å; F92-M96 HydrophobicContact CZ-CG 4.48Å; F92-M96 HydrophobicContact CZ-SD 4.05Å; F92-M96 PolarHBondContact O-N 2.89Å; F92-M96 VanDerWaalsContact O-N 3.14Å; F93-M96 WeakPolarHBondContact O-CB 3.42Å; F93-M96 PolarHBondContact O-N 3.08Å; D94-M96 PolarHBondContact O-N 3.21Å; M96-F99 HydrophobicContact CE-CD2 4.42Å; M96-F99 PolarHBondContact O-N 3.29Å; M96-E100 PolarHBondContact O-N 3.34Å; M96-Y129 HydrophobicContact CE-CD1 3.59Å; M96-Y129 HydrophobicContact CE-CE1 3.53Å; M96-Y129 HydrophobicContact CE-CG 4.35Å; M96-Y129 HydrophobicContact SD-CE1 4.27Å
97	K	98.4	Very high	98.3	Very high	59 Å²	59	29.9 Å²	29.9	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-67.4	-37.7	175.5	-174	56.6	173.3	-178.1	0	111.8	F93 D94 L95 F99 E100 V101 F331	F93-K97 PolarHBondContact O-N 3.33Å; D94-K97 CarbonylContact O-C 3.55Å; D94-K97 WeakPolarHBondContact O-CA 3.23Å; D94-K97 WeakPolarHBondContact O-CB 3.32Å; D94-K97 PolarHBondContact O-N 3.38Å; L95-K97 VanDerWaalsContact C-N 3.34Å; K97-F99 VanDerWaalsContact C-N 3.31Å; K97-F99 PolarHBondContact O-N 3.34Å; K97-E100 HydrophobicContact CD-CB 4.33Å; K97-E100 VanDerWaalsContact CD-OE2 3.23Å; K97-E100 WeakPolarHBondContact CD-OE2 3.26Å; K97-E100 IonicContact NZ-OE1 3.66Å; K97-E100 PolarHBondContact NZ-OE1 3.04Å; K97-E100 IonicContact NZ-OE2 3.67Å; K97-E100 PolarHBondContact NZ-OE2 3.21Å; K97-E100 WeakPolarHBondContact O-CB 3.43Å; K97-E100 PolarHBondContact O-N 3.4Å; K97-E100 VanDerWaalsContact O-N 3.08Å; K97-V101 HydrophobicContact CD-CG2 4.28Å; K97-V101 HydrophobicContact CG-CG2 4.38Å; K97-V101 WeakPolarHBondContact O-CG2 3.34Å; K97-V101 PolarHBondContact O-N 3.33Å; K97-F331 HydrophobicContact CB-CD2 4.35Å; K97-F331 HydrophobicContact CG-CB 4.39Å; K97-F331 HydrophobicContact CG-CD2 3.89Å; K97-F331 HydrophobicContact CG-CG 4.42Å
98	L	98.8	Very high	98.3	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-56.7	-44.1	175	-179.1	157.6	0	0	0	111.4	C85 D94 L95 V101 G102 Y110 F112 V318 F331	C85-L98 HydrophobicContact CB-CD1 4.14Å; D94-L98 PolarHBondContact O-N 3.32Å; L95-L98 HydrophobicContact CD1-CD1 4.34Å; L95-L98 HydrophobicContact CD1-CD2 4.36Å; L95-L98 WeakPolarHBondContact O-CB 3.14Å; L95-L98 PolarHBondContact O-N 3.14Å; L98-V101 PolarHBondContact O-N 3.27Å; L98-G102 PolarHBondContact O-N 3.33Å; L98-Y110 HydrophobicContact CD2-CE1 3.92Å; L98-F112 HydrophobicContact CD1-CE1 4.24Å; L98-F112 HydrophobicContact CD2-CE1 4.2Å; L98-F112 HydrophobicContact CD2-CZ 3.94Å; L98-V318 HydrophobicContact CD1-CG1 3.95Å; L98-V318 HydrophobicContact CD2-CG1 4.36Å; L98-V318 HydrophobicContact CG-CG1 3.76Å; L98-F331 HydrophobicContact CB-CE1 4.44Å; L98-F331 HydrophobicContact CB-CE2 4.45Å; L98-F331 HydrophobicContact CB-CZ 3.93Å; L98-F331 HydrophobicContact CD1-CZ 4.29Å; L98-F331 HydrophobicContact CG-CZ 4.33Å
99	F	98.6	Very high	98.3	Very high	14 Å²	14	33.8 Å²	33.8	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-70.3	-30	175.5	-70.3	-59.3	0	0	0	113.5	L95 M96 K97 V101 G103 P105 Y110 F112 Y129 L130 L133	L95-F99 HydrophobicContact CD1-CD2 4.31Å; L95-F99 HydrophobicContact CD1-CE2 3.66Å; L95-F99 HydrophobicContact CD1-CZ 4.11Å; L95-F99 HydrophobicContact CD2-CE2 4.29Å; L95-F99 HydrophobicContact CG-CD2 4.23Å; L95-F99 HydrophobicContact CG-CE2 3.72Å; L95-F99 WeakPolarHBondContact O-CD2 3.48Å; L95-F99 PolarHBondContact O-N 3.19Å; M96-F99 HydrophobicContact CE-CD2 4.42Å; M96-F99 PolarHBondContact O-N 3.29Å; K97-F99 VanDerWaalsContact C-N 3.31Å; K97-F99 PolarHBondContact O-N 3.34Å; F99-V101 VanDerWaalsContact C-N 3.33Å; F99-G103 CarbonylContact O-C 3.56Å; F99-G103 VanDerWaalsContact O-C 3.27Å; F99-G103 PolarHBondContact O-N 3.2Å; F99-G103 VanDerWaalsContact O-N 3.1Å; F99-P105 HydrophobicContact CD1-CG 3.49Å; F99-P105 VanDerWaalsContact CD1-CG 3.49Å; F99-P105 HydrophobicContact CE1-CG 3.56Å; F99-P105 HydrophobicContact CG-CG 4.27Å; F99-P105 HydrophobicContact CZ-CG 4.38Å; F99-Y110 HydrophobicContact CD1-CE1 4.11Å; F99-Y110 HydrophobicContact CD1-CE2 4.04Å; F99-Y110 AromaticContact CD1-CZ 3.71Å; F99-Y110 HydrophobicContact CE1-CD1 4.3Å; F99-Y110 HydrophobicContact CE1-CD2 4.4Å; F99-Y110 HydrophobicContact CE1-CE1 4.06Å; F99-Y110 HydrophobicContact CE1-CE2 4.17Å; F99-Y110 HydrophobicContact CE1-CG 4.46Å; F99-Y110 AromaticContact CE1-CZ 3.99Å; F99-F112 HydrophobicContact CE1-CE2 4.25Å; F99-F112 AromaticContact CE1-CZ 3.93Å; F99-F112 HydrophobicContact CE1-CZ 3.93Å; F99-F112 HydrophobicContact CZ-CE2 4.21Å; F99-F112 AromaticContact CZ-CZ 3.72Å; F99-F112 HydrophobicContact CZ-CZ 3.72Å; F99-Y129 AromaticContact CD2-CE1 3.94Å; F99-Y129 HydrophobicContact CD2-CE1 3.94Å; F99-Y129 HydrophobicContact CE2-CD1 4.06Å; F99-Y129 AromaticContact CE2-CE1 3.64Å; F99-Y129 HydrophobicContact CE2-CE1 3.64Å; F99-L130 HydrophobicContact CE2-CD2 4.48Å; F99-L130 HydrophobicContact CZ-CD2 3.98Å; F99-L133 HydrophobicContact CE1-CD1 4.08Å; F99-L133 HydrophobicContact CE2-CD1 3.75Å; F99-L133 HydrophobicContact CZ-CD1 3.37Å
100	E	97.8	Very high	98.3	Very high	139 Å²	139	33.6 Å²	33.6	65%	0.65	18%	0.182	S	C	*	.	H	α-helix	trans	-65	-39.5	171.8	-166.8	-160.6	134.8	0	0	111.4	M96 K97	M96-E100 PolarHBondContact O-N 3.34Å; K97-E100 HydrophobicContact CD-CB 4.33Å; K97-E100 VanDerWaalsContact CD-OE2 3.23Å; K97-E100 WeakPolarHBondContact CD-OE2 3.26Å; K97-E100 IonicContact NZ-OE1 3.66Å; K97-E100 PolarHBondContact NZ-OE1 3.04Å; K97-E100 IonicContact NZ-OE2 3.67Å; K97-E100 PolarHBondContact NZ-OE2 3.21Å; K97-E100 WeakPolarHBondContact O-CB 3.43Å; K97-E100 PolarHBondContact O-N 3.4Å; K97-E100 VanDerWaalsContact O-N 3.08Å
101	V	97.8	Very high	98.3	Very high	39 Å²	39	33.6 Å²	33.6	24%	0.236	18%	0.182	C	C	.	.	H	α-helix	trans	-82.4	-42.3	-176.6	173	0	0	0	0	112.3	K97 L98 F99 V318 R329 F331	K97-V101 HydrophobicContact CD-CG2 4.28Å; K97-V101 HydrophobicContact CG-CG2 4.38Å; K97-V101 WeakPolarHBondContact O-CG2 3.34Å; K97-V101 PolarHBondContact O-N 3.33Å; L98-V101 PolarHBondContact O-N 3.27Å; F99-V101 VanDerWaalsContact C-N 3.33Å; V101-V318 HydrophobicContact CG1-CG2 4.4Å; V101-R329 HydrophobicContact CG1-CB 3.67Å; V101-F331 HydrophobicContact CG1-CD1 4.48Å; V101-F331 HydrophobicContact CG2-CB 4.01Å; V101-F331 HydrophobicContact CG2-CG 4.44Å
102	G	97.7	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-76.4	-35.7	-178	0	0	0	0	0	113.2	L98 Y110 K320	L98-G102 PolarHBondContact O-N 3.33Å; G102-Y110 VanDerWaalsContact CA-OH 3.25Å; G102-Y110 WeakPolarHBondContact CA-OH 3.26Å; G102-K320 WeakPolarHBondContact O-CE 3.32Å; G102-K320 PolarHBondContact O-NZ 2.91Å
103	G	97.8	Very high	98.3	Very high	18 Å²	18	32.6 Å²	32.6	19%	0.186	18%	0.177	C	C	.	.			trans	126.2	163.2	-176.1	0	0	0	0	0	112.6	F99 P105 Y110	F99-G103 CarbonylContact O-C 3.56Å; F99-G103 VanDerWaalsContact O-C 3.27Å; F99-G103 PolarHBondContact O-N 3.2Å; F99-G103 VanDerWaalsContact O-N 3.1Å; G103-P105 WeakPolarHBondContact O-CD 3.28Å; G103-Y110 PolarHBondContact N-OH 3.39Å; G103-Y110 VanDerWaalsContact N-OH 3.11Å; G103-Y110 WeakPolarHBondContact O-CE2 3.25Å; G103-Y110 PolarHBondContact O-OH 2.96Å
104	S	97.8	Very high	98.3	Very high	58 Å²	58	31.4 Å²	31.4	41%	0.406	17%	0.172	S	C	.	.			trans	-68.1	132.5	178.1	-177.1	0	0	0	0	110.4	S106 N107 T108	S104-S106 WeakPolarHBondContact CB-OG 3.39Å; S104-S106 PolarHBondContact O-N 3.33Å; S104-S106 PolarHBondContact OG-N 3.35Å; S104-S106 PolarHBondContact OG-OG 3.38Å; S104-N107 PolarHBondContact O-N 3.23Å; S104-N107 PolarHBondContact O-OD1 2.78Å; S104-T108 WeakPolarHBondContact O-CB 3.32Å; S104-T108 PolarHBondContact O-N 3.39Å; S104-T108 PolarHBondContact O-OG1 3.44Å; S104-T108 VanDerWaalsContact O-OG1 3.07Å
105	P	97.9	Very high	98.3	Very high	11 Å²	11	31.2 Å²	31.2	7%	0.071	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.7	173.3	-27.7	37	0	0	0	114.2	F99 G103 N107 Y110 L133 Y137 L141	F99-P105 HydrophobicContact CD1-CG 3.49Å; F99-P105 VanDerWaalsContact CD1-CG 3.49Å; F99-P105 HydrophobicContact CE1-CG 3.56Å; F99-P105 HydrophobicContact CG-CG 4.27Å; F99-P105 HydrophobicContact CZ-CG 4.38Å; G103-P105 WeakPolarHBondContact O-CD 3.28Å; P105-N107 PolarHBondContact O-N 3.08Å; P105-Y110 HydrophobicContact CG-CD2 4.46Å; P105-Y110 HydrophobicContact CG-CE2 4.21Å; P105-L133 HydrophobicContact CB-CD2 3.87Å; P105-L133 HydrophobicContact CG-CD1 4.29Å; P105-L133 HydrophobicContact CG-CD2 3.93Å; P105-Y137 HydrophobicContact CB-CD2 3.95Å; P105-Y137 HydrophobicContact CB-CE2 3.88Å; P105-L141 HydrophobicContact CB-CD1 4.41Å
106	S	97	Very high	98.3	Very high	73 Å²	73	31.1 Å²	31.1	51%	0.51	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.2	175.5	64.5	0	0	0	0	114.1	S104 Y137	S104-S106 WeakPolarHBondContact CB-OG 3.39Å; S104-S106 PolarHBondContact O-N 3.33Å; S104-S106 PolarHBondContact OG-N 3.35Å; S104-S106 PolarHBondContact OG-OG 3.38Å; S106-Y137 WeakPolarHBondContact CB-OH 3.3Å
107	N	97.1	Very high	98.3	Very high	128 Å²	128	30 Å²	30	68%	0.684	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137	7.2	-177.5	67.4	-2.7	0	0	0	113.9	S104 P105	S104-N107 PolarHBondContact O-N 3.23Å; S104-N107 PolarHBondContact O-OD1 2.78Å; P105-N107 PolarHBondContact O-N 3.08Å
108	T	98.4	Very high	98.3	Very high	25 Å²	25	27.2 Å²	27.2	15%	0.153	15%	0.153	C	C	.	.	S	Bend	trans	-128.2	129.1	-176.9	-53.9	0	0	0	0	109.2	T83 S104 Y110	T83-T108 WeakPolarHBondContact OG1-CG2 3.37Å; S104-T108 WeakPolarHBondContact O-CB 3.32Å; S104-T108 PolarHBondContact O-N 3.39Å; S104-T108 PolarHBondContact O-OG1 3.44Å; S104-T108 VanDerWaalsContact O-OG1 3.07Å; T108-Y110 HydrophobicContact CG2-CD2 4.14Å; T108-Y110 HydrophobicContact CG2-CE2 3.67Å; T108-Y110 WeakPolarHBondContact O-CD2 3.15Å
109	R	98.8	Very high	97.9	Very high	64 Å²	64	27.4 Å²	27.4	24%	0.242	15%	0.154	C	C	.	.			trans	-76.4	140.7	172.4	-59.8	171.5	69	79.9	1.4	109.8	E79 P81 I82 T83 D139 T140 F142	E79-R109 PolarHBondContact O-NE 2.81Å; P81-R109 WeakPolarHBondContact O-CB 3.46Å; P81-R109 WeakPolarHBondContact O-CD 3.35Å; I82-R109 HydrophobicContact CB-CB 4.34Å; I82-R109 HydrophobicContact CD1-CB 4.41Å; I82-R109 HydrophobicContact CG1-CB 3.91Å; T83-R109 PolarHBondContact N-O 3.2Å; R109-D139 PolarHBondContact NH1-O 3.43Å; R109-D139 PolarHBondContact NH2-O 3.08Å; R109-T140 CarbonylContact C-O 3.6Å; R109-T140 WeakPolarHBondContact CA-O 3.3Å; R109-T140 HydrophobicContact CG-CG2 4.1Å; R109-F142 VanDerWaalsContact NH2-CE2 3.35Å
110	Y	98.9	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.9	-177.5	-87.6	-86.6	0	0	0	111.6	T83 L98 F99 G102 G103 P105 T108 F112 T140 F142	T83-Y110 HydrophobicContact CG2-CD1 4.14Å; T83-Y110 HydrophobicContact CG2-CE1 3.64Å; T83-Y110 WeakPolarHBondContact O-CA 3.47Å; L98-Y110 HydrophobicContact CD2-CE1 3.92Å; F99-Y110 HydrophobicContact CD1-CE1 4.11Å; F99-Y110 HydrophobicContact CD1-CE2 4.04Å; F99-Y110 AromaticContact CD1-CZ 3.71Å; F99-Y110 HydrophobicContact CE1-CD1 4.3Å; F99-Y110 HydrophobicContact CE1-CD2 4.4Å; F99-Y110 HydrophobicContact CE1-CE1 4.06Å; F99-Y110 HydrophobicContact CE1-CE2 4.17Å; F99-Y110 HydrophobicContact CE1-CG 4.46Å; F99-Y110 AromaticContact CE1-CZ 3.99Å; G102-Y110 VanDerWaalsContact CA-OH 3.25Å; G102-Y110 WeakPolarHBondContact CA-OH 3.26Å; G103-Y110 PolarHBondContact N-OH 3.39Å; G103-Y110 VanDerWaalsContact N-OH 3.11Å; G103-Y110 WeakPolarHBondContact O-CE2 3.25Å; G103-Y110 PolarHBondContact O-OH 2.96Å; P105-Y110 HydrophobicContact CG-CD2 4.46Å; P105-Y110 HydrophobicContact CG-CE2 4.21Å; T108-Y110 HydrophobicContact CG2-CD2 4.14Å; T108-Y110 HydrophobicContact CG2-CE2 3.67Å; T108-Y110 WeakPolarHBondContact O-CD2 3.15Å; Y110-F112 AromaticContact CD1-CE2 3.76Å; Y110-F112 HydrophobicContact CD1-CE2 3.76Å; Y110-F112 HydrophobicContact CD1-CZ 4.13Å; Y110-F112 HydrophobicContact CG-CE2 4.13Å; Y110-T140 PolarHBondContact N-O 3.27Å; Y110-F142 VanDerWaalsContact O-CD2 3.31Å; Y110-F142 WeakPolarHBondContact O-CD2 3.36Å; Y110-F142 PolarHBondContact O-N 3.48Å
111	L	98.9	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.1	166.6	175.7	65.3	0	0	0	108.4	I82 T83 V84 C85 L113 F142 L144 A186 C194	I82-L111 HydrophobicContact CD1-CB 3.77Å; I82-L111 HydrophobicContact CG1-CB 4.35Å; T83-L111 PolarHBondContact O-N 2.92Å; V84-L111 CarbonylContact C-O 3.45Å; V84-L111 VanDerWaalsContact CA-O 3.3Å; V84-L111 WeakPolarHBondContact CA-O 3.49Å; V84-L111 HydrophobicContact CG1-CD2 4.37Å; V84-L111 HydrophobicContact CG2-CB 4.43Å; V84-L111 HydrophobicContact CG2-CD2 4.39Å; C85-L111 PolarHBondContact N-O 2.91Å; L111-L113 HydrophobicContact CD2-CD2 4.14Å; L111-L113 HydrophobicContact CG-CD2 4.16Å; L111-F142 WeakPolarHBondContact CA-O 3.3Å; L111-F142 HydrophobicContact CD1-CB 3.76Å; L111-L144 HydrophobicContact CD1-CD1 4.19Å; L111-L144 HydrophobicContact CD1-CD2 4.2Å; L111-L144 HydrophobicContact CD1-CG 3.88Å; L111-A186 HydrophobicContact CD1-CB 4Å; L111-A186 HydrophobicContact CD2-CB 3.91Å; L111-C194 HydrophobicContact CD2-CB 3.68Å
112	F	98.9	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.5	170.8	-71.1	-101.9	0	0	0	110	C85 V88 L95 L98 F99 Y110 Y116 L130 L141 F142 L143 L144	C85-F112 HydrophobicContact CB-CD1 3.6Å; C85-F112 HydrophobicContact CB-CE1 3.71Å; C85-F112 HydrophobicContact CB-CG 4.1Å; C85-F112 HydrophobicContact CB-CZ 4.29Å; V88-F112 HydrophobicContact CG2-CD1 4.17Å; V88-F112 HydrophobicContact CG2-CE1 4.26Å; L95-F112 HydrophobicContact CD1-CE1 3.83Å; L95-F112 HydrophobicContact CD1-CZ 4.1Å; L98-F112 HydrophobicContact CD1-CE1 4.24Å; L98-F112 HydrophobicContact CD2-CE1 4.2Å; L98-F112 HydrophobicContact CD2-CZ 3.94Å; F99-F112 HydrophobicContact CE1-CE2 4.25Å; F99-F112 AromaticContact CE1-CZ 3.93Å; F99-F112 HydrophobicContact CE1-CZ 3.93Å; F99-F112 HydrophobicContact CZ-CE2 4.21Å; F99-F112 AromaticContact CZ-CZ 3.72Å; F99-F112 HydrophobicContact CZ-CZ 3.72Å; Y110-F112 AromaticContact CD1-CE2 3.76Å; Y110-F112 HydrophobicContact CD1-CE2 3.76Å; Y110-F112 HydrophobicContact CD1-CZ 4.13Å; Y110-F112 HydrophobicContact CG-CE2 4.13Å; F112-Y116 HydrophobicContact CB-CE1 3.72Å; F112-Y116 HydrophobicContact CD1-CE1 4.35Å; F112-Y116 HydrophobicContact CG-CE1 4.26Å; F112-L130 HydrophobicContact CD2-CD2 4.42Å; F112-L130 HydrophobicContact CE1-CD2 4.17Å; F112-L130 HydrophobicContact CE2-CD2 3.98Å; F112-L130 HydrophobicContact CZ-CD2 3.85Å; F112-L141 HydrophobicContact CE2-CD1 4.44Å; F112-F142 PolarHBondContact N-O 3.21Å; F112-L143 HydrophobicContact CB-CD2 3.89Å; F112-L143 HydrophobicContact CD2-CD2 3.83Å; F112-L143 HydrophobicContact CG-CD2 4.03Å; F112-L144 WeakPolarHBondContact O-CB 3.45Å; F112-L144 WeakPolarHBondContact O-CG 3.27Å; F112-L144 PolarHBondContact O-N 3Å
113	L	98.9	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.121	C	C	.	.			trans	-89.5	-11.3	-172.6	-61.3	-179.5	0	0	0	114.2	V84 C85 L111 L144 C194 H196 I275 A277	V84-L113 HydrophobicContact CG1-CD1 3.84Å; V84-L113 HydrophobicContact CG1-CD2 3.96Å; V84-L113 HydrophobicContact CG1-CG 3.89Å; C85-L113 WeakPolarHBondContact O-CB 3.48Å; C85-L113 VanDerWaalsContact O-CG 3.32Å; C85-L113 WeakPolarHBondContact O-CG 3.28Å; C85-L113 PolarHBondContact O-N 3.02Å; L111-L113 HydrophobicContact CD2-CD2 4.14Å; L111-L113 HydrophobicContact CG-CD2 4.16Å; L113-L144 HydrophobicContact CD2-CD1 3.83Å; L113-C194 HydrophobicContact CD2-CB 3.88Å; L113-H196 VanDerWaalsContact O-CB 3.31Å; L113-H196 WeakPolarHBondContact O-CB 3.31Å; L113-H196 PolarHBondContact O-ND1 2.74Å; L113-I275 HydrophobicContact CD1-CG2 4.28Å; L113-A277 HydrophobicContact CB-CB 3.79Å; L113-A277 HydrophobicContact CD1-CB 3.96Å
114	G	98.8	Very high	97.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	134.8	-169.4	178	0	0	0	0	0	112.7
115	D	98.9	Very high	97.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.094	C	C	.	.			trans	54	61.8	174.8	-72.7	1.4	0	0	0	112.8	D87 V88 H89 G146 N147 H148 E149 H196	D87-D115 HydrophobicContact CB-CB 3.98Å; V88-D115 PolarHBondContact N-O 2.97Å; H89-D115 IonicContact CE1-OD2 3.93Å; H89-D115 PolarHBondContact N-O 3.27Å; H89-D115 IonicContact NE2-OD2 2.91Å; D115-G146 WeakPolarHBondContact OD1-CA 3.35Å; D115-N147 PolarHBondContact OD1-N 3.38Å; D115-N147 PolarHBondContact OD1-OD1 3Å; D115-N147 PolarHBondContact OD2-OD1 2.93Å; D115-H148 WeakPolarHBondContact OD1-CB 3.42Å; D115-H148 IonicContact OD1-CD2 2.94Å; D115-H148 IonicContact OD1-CG 3.17Å; D115-H148 PolarHBondContact OD1-N 3.4Å; D115-H148 IonicContact OD2-CD2 2.82Å; D115-H148 PolarHBondContact OD2-CD2 2.84Å; D115-E149 WeakPolarHBondContact CA-OE1 3.43Å; D115-E149 PolarHBondContact N-OE1 2.97Å; D115-E149 PolarHBondContact N-OE2 3.42Å; D115-H196 IonicContact OD1-CE1 2.74Å; D115-H196 IonicContact OD1-NE2 3.82Å; D115-H196 PolarHBondContact OD1-NE2 3.12Å; D115-H196 IonicContact OD2-CE1 3.32Å; D115-H196 PolarHBondContact OD2-CE1 2.98Å; D115-H196 IonicContact OD2-NE2 3.56Å; D115-H196 PolarHBondContact OD2-NE2 2.85Å
116	Y	98.9	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.			trans	-78.7	-26.6	176.4	-48.7	-64.5	0	0	0	112.3	G90 F112 L130 W131 L143 L144 E149 L182	G90-Y116 PolarHBondContact N-O 3.45Å; F112-Y116 HydrophobicContact CB-CE1 3.72Å; F112-Y116 HydrophobicContact CD1-CE1 4.35Å; F112-Y116 HydrophobicContact CG-CE1 4.26Å; Y116-L130 HydrophobicContact CD1-CD1 3.37Å; Y116-L130 HydrophobicContact CE1-CD1 3.83Å; Y116-L130 HydrophobicContact CG-CD1 4.14Å; Y116-W131 HydrophobicContact CD2-CH2 4.22Å; Y116-W131 HydrophobicContact CD2-CZ3 4.24Å; Y116-W131 HydrophobicContact CE2-CH2 4.37Å; Y116-L143 HydrophobicContact CE1-CD2 4.06Å; Y116-L143 WeakPolarHBondContact OH-CA 2.97Å; Y116-L143 WeakPolarHBondContact OH-CB 3.23Å; Y116-L144 VanDerWaalsContact CE2-O 3.32Å; Y116-L144 WeakPolarHBondContact CE2-O 3.42Å; Y116-L144 PolarHBondContact OH-N 2.91Å; Y116-L144 VanDerWaalsContact OH-N 3.17Å; Y116-L144 PolarHBondContact OH-O 2.77Å; Y116-E149 VanDerWaalsContact CD2-CD 3.45Å; Y116-E149 HydrophobicContact CD2-CG 3.74Å; Y116-E149 WeakPolarHBondContact CD2-OE1 3.44Å; Y116-E149 HydrophobicContact CE2-CG 4.15Å; Y116-E149 PolarHBondContact N-OE1 3.17Å; Y116-L182 HydrophobicContact CE2-CD1 4.09Å; Y116-L182 HydrophobicContact CE2-CD2 4.43Å
117	V	98.8	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-120.2	176.9	-166.7	-56.2	0	0	0	0	113.1	H89 V127 H148 T154 F159 F179	H89-V117 PolarHBondContact ND1-O 2.91Å; H89-V117 VanDerWaalsContact ND1-O 3.13Å; V117-V127 HydrophobicContact CG1-CG2 3.54Å; V117-H148 HydrophobicContact CG2-CB 4.17Å; V117-T154 HydrophobicContact CG2-CG2 3.79Å; V117-F159 HydrophobicContact CB-CB 4.23Å; V117-F159 HydrophobicContact CB-CD1 4.2Å; V117-F159 HydrophobicContact CB-CD2 4.01Å; V117-F159 HydrophobicContact CB-CE2 4.38Å; V117-F159 HydrophobicContact CB-CG 3.89Å; V117-F159 HydrophobicContact CG1-CD1 4.2Å; V117-F159 HydrophobicContact CG1-CD2 3.97Å; V117-F159 HydrophobicContact CG1-CE1 4.07Å; V117-F159 HydrophobicContact CG1-CE2 3.82Å; V117-F159 HydrophobicContact CG1-CG 4.13Å; V117-F159 HydrophobicContact CG1-CZ 3.86Å; V117-F159 HydrophobicContact CG2-CB 4.47Å; V117-F159 HydrophobicContact CG2-CD1 4.23Å; V117-F159 HydrophobicContact CG2-CG 4.28Å; V117-F179 HydrophobicContact CG1-CE2 4.35Å; V117-F179 HydrophobicContact CG1-CZ 3.8Å; V117-F179 HydrophobicContact CG2-CE2 4.26Å; V117-F179 HydrophobicContact CG2-CZ 4.47Å
118	D	96.9	Very high	98.1	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	63.6	167.6	-175.9	-67.9	-39.1	0	0	0	113.9	H89 G120 S123 H148 F157 T158 F159	H89-D118 CarbonylContact C-O 3.59Å; H89-D118 WeakPolarHBondContact CA-O 3.4Å; D118-G120 PolarHBondContact O-N 2.91Å; D118-S123 PolarHBondContact N-OG 2.89Å; D118-H148 WeakPolarHBondContact CB-ND1 3.45Å; D118-H148 IonicContact OD2-CE1 3.82Å; D118-H148 IonicContact OD2-CG 3.64Å; D118-H148 IonicContact OD2-ND1 3.45Å; D118-H148 PolarHBondContact OD2-ND1 3.14Å; D118-F157 HydrophobicContact CB-CB 3.91Å; D118-F157 HydrophobicContact CB-CD2 4.38Å; D118-F157 HydrophobicContact CB-CG 4.37Å; D118-F157 VanDerWaalsContact CG-CB 3.47Å; D118-F157 WeakPolarHBondContact OD1-CB 3.36Å; D118-T158 PolarHBondContact OD1-N 2.9Å; D118-F159 WeakPolarHBondContact OD1-CB 3.43Å; D118-F159 PolarHBondContact OD1-N 3.14Å
119	R	91.7	Very high	98.1	Very high	6 Å²	6	6.2 Å²	6.2	2%	0.023	3%	0.029	C	C	.	.	S	Bend	trans	71.1	-60.7	175.3	-37.5	-59.2	-56.8	-99	-2.9	113	H89 Y308 L309 G423 D474 E478	H89-R119 HydrophobicContact CB-CB 4.25Å; H89-R119 HydrophobicContact CB-CG 4.42Å; R119-Y308 HydrophobicContact CB-CE2 4.15Å; R119-Y308 HydrophobicContact CG-CE2 4.37Å; R119-Y308 WeakPolarHBondContact CG-OH 3.14Å; R119-Y308 PolarHBondContact NH1-OH 3.02Å; R119-L309 HydrophobicContact CB-CD2 3.56Å; R119-L309 HydrophobicContact CG-CD2 4.45Å; R119-G423 PolarHBondContact NH2-O 3.17Å; R119-D474 IonicContact CZ-OD1 2.74Å; R119-D474 IonicContact NH2-OD1 2.8Å; R119-D474 PolarHBondContact NH2-OD1 3.36Å; R119-D474 IonicContact NH2-OD2 3.22Å; R119-D474 PolarHBondContact NH2-OD2 3.23Å; R119-E478 IonicContact NH1-OE1 3.39Å; R119-E478 PolarHBondContact NH1-OE1 3.29Å
120	G	93.8	Very high	98.1	Very high	15 Å²	15	3.2 Å²	3.2	16%	0.155	2%	0.017	C	C	.	.	S	Bend	trans	-75.4	165.7	167	0	0	0	0	0	112.7	H89 D118 S123	H89-G120 WeakPolarHBondContact O-CA 3.32Å; H89-G120 PolarHBondContact O-N 3.19Å; D118-G120 PolarHBondContact O-N 2.91Å; G120-S123 PolarHBondContact O-OG 3.38Å
121	Y	96.8	Very high	98.1	Very high	16 Å²	16	3.2 Å²	3.2	6%	0.063	2%	0.017	C	C	.	.	S	Bend	trans	-107.1	14.3	-172.9	-66.9	-18.9	0	0	0	114.5	T158 K166 W339 P341 N342 F343	Y121-T158 HydrophobicContact CE1-CG2 4.14Å; Y121-K166 PolarHBondContact O-NZ 2.84Å; Y121-W339 HydrophobicContact CD2-CB 3.46Å; Y121-W339 VanDerWaalsContact CD2-CB 3.46Å; Y121-W339 HydrophobicContact CD2-CG 4.43Å; Y121-W339 HydrophobicContact CE2-CB 4.11Å; Y121-W339 HydrophobicContact CG-CB 4.25Å; Y121-P341 VanDerWaalsContact OH-CA 3.32Å; Y121-P341 WeakPolarHBondContact OH-CA 3.5Å; Y121-N342 PolarHBondContact OH-N 3.18Å; Y121-F343 HydrophobicContact CD1-CE1 4.46Å; Y121-F343 AromaticContact CD1-CE2 3.99Å; Y121-F343 HydrophobicContact CD1-CE2 3.99Å; Y121-F343 AromaticContact CD1-CZ 3.77Å; Y121-F343 HydrophobicContact CD1-CZ 3.77Å; Y121-F343 HydrophobicContact CE1-CE2 4.5Å; Y121-F343 HydrophobicContact CG-CE1 4.17Å; Y121-F343 HydrophobicContact CG-CE2 4.49Å; Y121-F343 AromaticContact CG-CZ 3.92Å; Y121-F343 HydrophobicContact CG-CZ 3.92Å
122	F	98.6	Very high	98.1	Very high	8 Å²	8	3.2 Å²	3.2	4%	0.035	2%	0.017	C	C	.	.			trans	-127.8	36.9	176	-50.4	-86.2	0	0	0	111.9	G90 F92 F93 E125 C126 E162 H336 P337 W339	G90-F122 CarbonylContact O-C 3.46Å; G90-F122 WeakPolarHBondContact O-CA 3.35Å; G90-F122 VanDerWaalsContact O-CB 3.3Å; G90-F122 WeakPolarHBondContact O-CB 3.38Å; G90-F122 PolarHBondContact O-N 3.37Å; G90-F122 VanDerWaalsContact O-N 3.08Å; F92-F122 HydrophobicContact CB-CB 3.49Å; F92-F122 VanDerWaalsContact CB-CB 3.49Å; F92-F122 HydrophobicContact CB-CG 4.35Å; F93-F122 HydrophobicContact CD2-CD2 4.15Å; F93-F122 HydrophobicContact CD2-CE2 4.2Å; F93-F122 HydrophobicContact CD2-CG 4.4Å; F93-F122 HydrophobicContact CD2-CZ 4.49Å; F93-F122 AromaticContact CE2-CD1 3.91Å; F93-F122 HydrophobicContact CE2-CD1 3.91Å; F93-F122 HydrophobicContact CE2-CD2 4.08Å; F93-F122 AromaticContact CE2-CE1 3.8Å; F93-F122 HydrophobicContact CE2-CE1 3.8Å; F93-F122 AromaticContact CE2-CE2 3.97Å; F93-F122 HydrophobicContact CE2-CE2 3.97Å; F93-F122 HydrophobicContact CE2-CG 4.05Å; F93-F122 AromaticContact CE2-CZ 3.83Å; F93-F122 HydrophobicContact CE2-CZ 3.83Å; F122-E125 WeakPolarHBondContact CA-OE2 3.34Å; F122-E125 HydrophobicContact CB-CB 4.37Å; F122-E125 PolarHBondContact O-N 2.84Å; F122-C126 PolarHBondContact O-N 3.17Å; F122-C126 VanDerWaalsContact O-N 3.09Å; F122-C126 PolarHBondContact O-SG 3.4Å; F122-E162 WeakPolarHBondContact CA-OE1 3.4Å; F122-H336 HydrophobicContact CE2-CB 3.99Å; F122-H336 AromaticContact CE2-ND1 3.83Å; F122-P337 HydrophobicContact CE1-CB 4.5Å; F122-P337 HydrophobicContact CE1-CG 4.42Å; F122-P337 HydrophobicContact CZ-CB 3.98Å; F122-P337 HydrophobicContact CZ-CG 4.12Å; F122-P337 WeakPolarHBondContact CZ-O 3.41Å; F122-W339 AromaticContact CE1-NE1 3.87Å; F122-W339 AromaticContact CZ-CD1 3.78Å
123	S	98.9	Very high	98.1	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-64.2	-42.1	-178.9	-52.1	0	0	0	0	111.8	D118 G120 E125 C126 V127 E162	D118-S123 PolarHBondContact N-OG 2.89Å; G120-S123 PolarHBondContact O-OG 3.38Å; S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 3.04Å; S123-C126 WeakPolarHBondContact O-CB 3.42Å; S123-C126 PolarHBondContact O-N 3.22Å; S123-V127 WeakPolarHBondContact O-CG2 3.32Å; S123-V127 PolarHBondContact O-N 3.41Å; S123-E162 WeakPolarHBondContact CB-OE2 3.47Å; S123-E162 PolarHBondContact N-OE1 3Å; S123-E162 PolarHBondContact N-OE2 3.29Å; S123-E162 PolarHBondContact OG-OE2 2.9Å
124	I	98.9	Very high	98.1	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-69.2	-32	-178.9	-168.1	58.4	0	0	0	111.2	V127 L128 F159 E162 K166 Y167 V171	I124-V127 PolarHBondContact O-N 2.9Å; I124-L128 HydrophobicContact CD1-CG 4.36Å; I124-L128 HydrophobicContact CG1-CD1 4.08Å; I124-L128 HydrophobicContact CG1-CG 4.28Å; I124-L128 WeakPolarHBondContact O-CB 3.24Å; I124-L128 WeakPolarHBondContact O-CG 3.2Å; I124-L128 PolarHBondContact O-N 3.32Å; I124-F159 HydrophobicContact CB-CE2 4.19Å; I124-F159 HydrophobicContact CD1-CE2 4.29Å; I124-F159 HydrophobicContact CD1-CZ 4.25Å; I124-E162 HydrophobicContact CG2-CG 4.34Å; I124-E162 WeakPolarHBondContact CG2-OE1 3.4Å; I124-E162 PolarHBondContact N-OE1 2.92Å; I124-K166 HydrophobicContact CG2-CD 3.6Å; I124-Y167 HydrophobicContact CB-CE2 4.48Å; I124-Y167 HydrophobicContact CG1-CD2 3.9Å; I124-Y167 HydrophobicContact CG1-CE2 3.74Å; I124-Y167 HydrophobicContact CG2-CD2 4.27Å; I124-Y167 HydrophobicContact CG2-CE2 3.84Å; I124-V171 HydrophobicContact CD1-CG1 3.9Å
125	E	98.9	Very high	98.1	Very high	5 Å²	5	4 Å²	4	2%	0.023	2%	0.022	C	C	.	.	H	α-helix	trans	-66.9	-40.5	172.8	-65.2	84	172.9	0	0	111.6	L47 F92 F122 S123 Y129 K166	L47-E125 HydrophobicContact CB-CG 4.36Å; L47-E125 HydrophobicContact CD1-CB 4.19Å; L47-E125 HydrophobicContact CD1-CG 4.47Å; L47-E125 HydrophobicContact CD2-CG 4.02Å; L47-E125 HydrophobicContact CG-CG 4.49Å; F92-E125 HydrophobicContact CB-CB 4.11Å; F92-E125 HydrophobicContact CD1-CB 4.15Å; F92-E125 HydrophobicContact CD2-CB 3.71Å; F92-E125 HydrophobicContact CE2-CB 4.16Å; F92-E125 HydrophobicContact CG-CB 3.71Å; F122-E125 WeakPolarHBondContact CA-OE2 3.34Å; F122-E125 HydrophobicContact CB-CB 4.37Å; F122-E125 PolarHBondContact O-N 2.84Å; S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 3.04Å; E125-Y129 VanDerWaalsContact O-CB 3.26Å; E125-Y129 WeakPolarHBondContact O-CB 3.42Å; E125-Y129 PolarHBondContact O-N 3.02Å; E125-K166 IonicContact OE1-NZ 3.13Å; E125-K166 PolarHBondContact OE1-NZ 2.97Å; E125-K166 IonicContact OE2-NZ 2.81Å; E125-K166 PolarHBondContact OE2-NZ 2.82Å
126	C	98.9	Very high	98.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-58.3	-50.8	171.2	-72.2	0	0	0	0	111.6	F92 L95 F122 S123 Y129 L130	F92-C126 VanDerWaalsContact CA-SG 3.53Å; L95-C126 HydrophobicContact CD2-CB 4.34Å; F122-C126 PolarHBondContact O-N 3.17Å; F122-C126 VanDerWaalsContact O-N 3.09Å; F122-C126 PolarHBondContact O-SG 3.4Å; S123-C126 WeakPolarHBondContact O-CB 3.42Å; S123-C126 PolarHBondContact O-N 3.22Å; C126-Y129 PolarHBondContact O-N 2.87Å; C126-L130 VanDerWaalsContact O-CB 3.31Å; C126-L130 WeakPolarHBondContact O-CB 3.36Å; C126-L130 VanDerWaalsContact O-CG 3.3Å; C126-L130 WeakPolarHBondContact O-CG 3.3Å; C126-L130 PolarHBondContact O-N 2.88Å
127	V	98.9	Very high	98.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-60	-52.9	179.3	171.6	0	0	0	0	110.8	V117 S123 I124 Y129 L130 W131 F159 F179	V117-V127 HydrophobicContact CG1-CG2 3.54Å; S123-V127 WeakPolarHBondContact O-CG2 3.32Å; S123-V127 PolarHBondContact O-N 3.41Å; I124-V127 PolarHBondContact O-N 2.9Å; V127-Y129 VanDerWaalsContact C-N 3.29Å; V127-Y129 PolarHBondContact O-N 3.19Å; V127-L130 PolarHBondContact O-N 2.62Å; V127-W131 HydrophobicContact CB-CE3 4.4Å; V127-W131 HydrophobicContact CB-CZ3 4.47Å; V127-W131 HydrophobicContact CG1-CD2 4.05Å; V127-W131 HydrophobicContact CG1-CE3 3.88Å; V127-W131 HydrophobicContact CG1-CZ3 4.11Å; V127-W131 HydrophobicContact CG2-CZ3 4.43Å; V127-W131 VanDerWaalsContact O-CB 3.32Å; V127-W131 WeakPolarHBondContact O-CB 3.42Å; V127-W131 PolarHBondContact O-N 3.02Å; V127-F159 HydrophobicContact CG2-CZ 4.21Å; V127-F179 HydrophobicContact CG2-CE1 4.16Å; V127-F179 HydrophobicContact CG2-CZ 3.99Å
128	L	98.9	Very high	98	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.9	-41.5	-178.6	-71.1	171.8	0	0	0	112	L53 A58 I61 I62 I124 A132 Y167	L53-L128 HydrophobicContact CD1-CD1 3.99Å; L53-L128 HydrophobicContact CD1-CD2 4.31Å; L53-L128 HydrophobicContact CG-CD1 4.36Å; A58-L128 HydrophobicContact CB-CD2 3.92Å; I61-L128 HydrophobicContact CB-CD2 4.36Å; I61-L128 HydrophobicContact CD1-CD2 4.44Å; I61-L128 HydrophobicContact CG2-CD2 4.36Å; I61-L128 WeakPolarHBondContact CG2-O 3.27Å; I62-L128 HydrophobicContact CD1-CD2 4.24Å; I62-L128 HydrophobicContact CG1-CD2 4.15Å; I124-L128 HydrophobicContact CD1-CG 4.36Å; I124-L128 HydrophobicContact CG1-CD1 4.08Å; I124-L128 HydrophobicContact CG1-CG 4.28Å; I124-L128 WeakPolarHBondContact O-CB 3.24Å; I124-L128 WeakPolarHBondContact O-CG 3.2Å; I124-L128 PolarHBondContact O-N 3.32Å; L128-A132 VanDerWaalsContact O-CB 3.23Å; L128-A132 WeakPolarHBondContact O-CB 3.27Å; L128-A132 PolarHBondContact O-N 3.17Å; L128-Y167 HydrophobicContact CD1-CE2 4.27Å; L128-Y167 WeakPolarHBondContact CD1-OH 3.46Å
129	Y	98.9	Very high	98.1	Very high	16 Å²	16	15.8 Å²	15.8	6%	0.063	8%	0.083	C	C	.	.	H	α-helix	trans	-73.5	-43.6	-179	-169.3	-111.9	0	0	0	112.8	L43 K44 F92 L95 M96 F99 E125 C126 V127 A132 L133	L43-Y129 HydrophobicContact CD2-CD2 4.13Å; L43-Y129 HydrophobicContact CG-CD2 4.29Å; K44-Y129 HydrophobicContact CB-CE2 3.75Å; K44-Y129 HydrophobicContact CG-CE2 4.49Å; F92-Y129 HydrophobicContact CE2-CD1 4.34Å; F92-Y129 HydrophobicContact CE2-CG 4.08Å; L95-Y129 HydrophobicContact CD2-CD1 4.44Å; M96-Y129 HydrophobicContact CE-CD1 3.59Å; M96-Y129 HydrophobicContact CE-CE1 3.53Å; M96-Y129 HydrophobicContact CE-CG 4.35Å; M96-Y129 HydrophobicContact SD-CE1 4.27Å; F99-Y129 AromaticContact CD2-CE1 3.94Å; F99-Y129 HydrophobicContact CD2-CE1 3.94Å; F99-Y129 HydrophobicContact CE2-CD1 4.06Å; F99-Y129 AromaticContact CE2-CE1 3.64Å; F99-Y129 HydrophobicContact CE2-CE1 3.64Å; E125-Y129 VanDerWaalsContact O-CB 3.26Å; E125-Y129 WeakPolarHBondContact O-CB 3.42Å; E125-Y129 PolarHBondContact O-N 3.02Å; C126-Y129 PolarHBondContact O-N 2.87Å; V127-Y129 VanDerWaalsContact C-N 3.29Å; V127-Y129 PolarHBondContact O-N 3.19Å; Y129-A132 PolarHBondContact O-N 3.46Å; Y129-L133 HydrophobicContact CD1-CD1 3.86Å; Y129-L133 HydrophobicContact CD1-CG 4.47Å; Y129-L133 HydrophobicContact CE1-CD1 3.61Å; Y129-L133 HydrophobicContact CE1-CG 4.24Å; Y129-L133 WeakPolarHBondContact O-CB 3.42Å; Y129-L133 WeakPolarHBondContact O-CG 3.38Å; Y129-L133 PolarHBondContact O-N 3.12Å
130	L	98.9	Very high	98.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66	-37.2	176.9	-71.1	172.2	0	0	0	112	L95 F99 F112 Y116 C126 V127 L133 K134 L143	L95-L130 HydrophobicContact CD1-CD2 4.39Å; L95-L130 HydrophobicContact CD2-CD1 4.3Å; L95-L130 HydrophobicContact CD2-CD2 4.24Å; L95-L130 HydrophobicContact CD2-CG 4.05Å; F99-L130 HydrophobicContact CE2-CD2 4.48Å; F99-L130 HydrophobicContact CZ-CD2 3.98Å; F112-L130 HydrophobicContact CD2-CD2 4.42Å; F112-L130 HydrophobicContact CE1-CD2 4.17Å; F112-L130 HydrophobicContact CE2-CD2 3.98Å; F112-L130 HydrophobicContact CZ-CD2 3.85Å; Y116-L130 HydrophobicContact CD1-CD1 3.37Å; Y116-L130 HydrophobicContact CE1-CD1 3.83Å; Y116-L130 HydrophobicContact CG-CD1 4.14Å; C126-L130 VanDerWaalsContact O-CB 3.31Å; C126-L130 WeakPolarHBondContact O-CB 3.36Å; C126-L130 VanDerWaalsContact O-CG 3.3Å; C126-L130 WeakPolarHBondContact O-CG 3.3Å; C126-L130 PolarHBondContact O-N 2.88Å; V127-L130 PolarHBondContact O-N 2.62Å; L130-L133 HydrophobicContact CD2-CD1 4.36Å; L130-L133 WeakPolarHBondContact O-CB 3.3Å; L130-L133 PolarHBondContact O-N 3.37Å; L130-K134 WeakPolarHBondContact O-CB 3.42Å; L130-K134 PolarHBondContact O-N 3.47Å; L130-L143 HydrophobicContact CB-CD1 4.34Å; L130-L143 HydrophobicContact CB-CD2 4.41Å; L130-L143 HydrophobicContact CD2-CD2 4.41Å
131	W	98.9	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.7	-40.7	175	-90.2	-122.6	0	0	0	111.6	I61 L69 Y116 V127 L133 K134 I135 L143 A178 F179 L182	I61-W131 HydrophobicContact CG2-CB 3.69Å; L69-W131 HydrophobicContact CD1-CZ2 3.96Å; Y116-W131 HydrophobicContact CD2-CH2 4.22Å; Y116-W131 HydrophobicContact CD2-CZ3 4.24Å; Y116-W131 HydrophobicContact CE2-CH2 4.37Å; V127-W131 HydrophobicContact CB-CE3 4.4Å; V127-W131 HydrophobicContact CB-CZ3 4.47Å; V127-W131 HydrophobicContact CG1-CD2 4.05Å; V127-W131 HydrophobicContact CG1-CE3 3.88Å; V127-W131 HydrophobicContact CG1-CZ3 4.11Å; V127-W131 HydrophobicContact CG2-CZ3 4.43Å; V127-W131 VanDerWaalsContact O-CB 3.32Å; V127-W131 WeakPolarHBondContact O-CB 3.42Å; V127-W131 PolarHBondContact O-N 3.02Å; W131-L133 VanDerWaalsContact C-N 3.28Å; W131-L133 PolarHBondContact O-N 2.95Å; W131-K134 WeakPolarHBondContact O-CB 3.4Å; W131-K134 PolarHBondContact O-N 3.35Å; W131-K134 VanDerWaalsContact O-N 3.13Å; W131-I135 VanDerWaalsContact O-CG1 3.3Å; W131-I135 WeakPolarHBondContact O-CG1 3.32Å; W131-I135 PolarHBondContact O-N 3.26Å; W131-L143 HydrophobicContact CD2-CD1 4.49Å; W131-L143 HydrophobicContact CE3-CD1 3.99Å; W131-L143 HydrophobicContact CH2-CD1 4.45Å; W131-L143 HydrophobicContact CZ3-CD1 3.98Å; W131-A178 HydrophobicContact CZ2-CB 4.25Å; W131-F179 AromaticContact CH2-CD1 3.93Å; W131-F179 HydrophobicContact CH2-CD1 3.93Å; W131-F179 AromaticContact CH2-CE1 3.66Å; W131-F179 HydrophobicContact CH2-CE1 3.66Å; W131-F179 AromaticContact CZ2-CD1 3.93Å; W131-F179 HydrophobicContact CZ2-CD1 3.93Å; W131-F179 AromaticContact CZ2-CE1 3.95Å; W131-F179 HydrophobicContact CZ2-CE1 3.95Å; W131-L182 HydrophobicContact CH2-CD1 4.31Å; W131-L182 HydrophobicContact CH2-CD2 4.22Å; W131-L182 HydrophobicContact CZ2-CD2 4.34Å
132	A	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-39.7	172.7	0	0	0	0	0	111.5	P38 L40 L43 I61 L128 Y129 I135 N136	P38-A132 HydrophobicContact CB-CB 4.35Å; P38-A132 HydrophobicContact CG-CB 3.82Å; L40-A132 HydrophobicContact CD2-CB 3.87Å; L43-A132 HydrophobicContact CD2-CB 3.43Å; L43-A132 VanDerWaalsContact CD2-CB 3.43Å; I61-A132 HydrophobicContact CG2-CB 4.28Å; L128-A132 VanDerWaalsContact O-CB 3.23Å; L128-A132 WeakPolarHBondContact O-CB 3.27Å; L128-A132 PolarHBondContact O-N 3.17Å; Y129-A132 PolarHBondContact O-N 3.46Å; A132-I135 PolarHBondContact O-N 2.87Å; A132-N136 PolarHBondContact O-N 3.1Å; A132-N136 PolarHBondContact O-ND2 3.06Å
133	L	98.9	Very high	98.8	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-63.4	-42.8	172	-75.8	172.7	0	0	0	111.8	L40 F99 P105 Y129 L130 W131 I135 N136 Y137 L141	L40-L133 HydrophobicContact CD1-CD2 3.69Å; L40-L133 HydrophobicContact CD2-CD2 3.86Å; L40-L133 HydrophobicContact CD2-CG 4.13Å; L40-L133 HydrophobicContact CG-CD2 4.37Å; F99-L133 HydrophobicContact CE1-CD1 4.08Å; F99-L133 HydrophobicContact CE2-CD1 3.75Å; F99-L133 HydrophobicContact CZ-CD1 3.37Å; P105-L133 HydrophobicContact CB-CD2 3.87Å; P105-L133 HydrophobicContact CG-CD1 4.29Å; P105-L133 HydrophobicContact CG-CD2 3.93Å; Y129-L133 HydrophobicContact CD1-CD1 3.86Å; Y129-L133 HydrophobicContact CD1-CG 4.47Å; Y129-L133 HydrophobicContact CE1-CD1 3.61Å; Y129-L133 HydrophobicContact CE1-CG 4.24Å; Y129-L133 WeakPolarHBondContact O-CB 3.42Å; Y129-L133 WeakPolarHBondContact O-CG 3.38Å; Y129-L133 PolarHBondContact O-N 3.12Å; L130-L133 HydrophobicContact CD2-CD1 4.36Å; L130-L133 WeakPolarHBondContact O-CB 3.3Å; L130-L133 PolarHBondContact O-N 3.37Å; W131-L133 VanDerWaalsContact C-N 3.28Å; W131-L133 PolarHBondContact O-N 2.95Å; L133-I135 VanDerWaalsContact C-N 3.32Å; L133-I135 PolarHBondContact O-N 2.89Å; L133-N136 PolarHBondContact O-N 3.39Å; L133-N136 VanDerWaalsContact O-N 3.16Å; L133-Y137 HydrophobicContact CD2-CD2 3.91Å; L133-Y137 HydrophobicContact CD2-CE2 3.78Å; L133-Y137 WeakPolarHBondContact O-CB 3.43Å; L133-Y137 WeakPolarHBondContact O-CD2 3.44Å; L133-Y137 PolarHBondContact O-N 2.84Å; L133-L141 HydrophobicContact CB-CD1 3.8Å; L133-L141 HydrophobicContact CB-CD2 4.2Å; L133-L141 HydrophobicContact CD1-CD1 4.05Å; L133-L141 HydrophobicContact CG-CD1 4.44Å
134	K	98.9	Very high	98.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.6	-38.7	176.7	-176.8	59.2	176.7	173.6	0	112.3	I68 L69 E72 L130 W131 Y137 P138 L141 L143	I68-K134 HydrophobicContact CG2-CD 4.46Å; I68-K134 HydrophobicContact CG2-CG 4.36Å; L69-K134 HydrophobicContact CD2-CG 4.43Å; E72-K134 WeakPolarHBondContact OE1-CE 3.46Å; E72-K134 IonicContact OE1-NZ 3.63Å; E72-K134 PolarHBondContact OE1-NZ 3.37Å; E72-K134 IonicContact OE2-NZ 2.95Å; L130-K134 WeakPolarHBondContact O-CB 3.42Å; L130-K134 PolarHBondContact O-N 3.47Å; W131-K134 WeakPolarHBondContact O-CB 3.4Å; W131-K134 PolarHBondContact O-N 3.35Å; W131-K134 VanDerWaalsContact O-N 3.13Å; K134-Y137 CarbonylContact O-C 3.55Å; K134-P138 PolarHBondContact NZ-O 3.04Å; K134-P138 VanDerWaalsContact O-CA 3.28Å; K134-P138 WeakPolarHBondContact O-CA 3.42Å; K134-L141 HydrophobicContact CB-CD2 4.16Å; K134-L141 HydrophobicContact CD-CD2 4.45Å; K134-L141 WeakPolarHBondContact CD-O 3.27Å; K134-L141 PolarHBondContact NZ-O 2.89Å; K134-L143 HydrophobicContact CB-CD1 4.28Å
135	I	98.8	Very high	98.8	Very high	15 Å²	15	16.6 Å²	16.6	8%	0.077	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-41.1	174.4	-66.7	161.2	0	0	0	111.3	P38 I61 E64 I68 W131 A132 L133	P38-I135 HydrophobicContact CG-CD1 4.41Å; P38-I135 HydrophobicContact CG-CG2 4.4Å; I61-I135 HydrophobicContact CG2-CD1 4.24Å; E64-I135 HydrophobicContact CB-CD1 3.63Å; E64-I135 HydrophobicContact CB-CG1 4.04Å; I68-I135 HydrophobicContact CD1-CB 4.36Å; I68-I135 HydrophobicContact CD1-CG1 4.05Å; W131-I135 VanDerWaalsContact O-CG1 3.3Å; W131-I135 WeakPolarHBondContact O-CG1 3.32Å; W131-I135 PolarHBondContact O-N 3.26Å; A132-I135 PolarHBondContact O-N 2.87Å; L133-I135 VanDerWaalsContact C-N 3.32Å; L133-I135 PolarHBondContact O-N 2.89Å
136	N	98.6	Very high	98.8	Very high	29 Å²	29	16.3 Å²	16.3	16%	0.155	9%	0.085	C	C	.	.	H	α-helix	trans	-74.4	-36	-178.9	-84.1	-87.3	0	0	0	112.7	K37 P38 L40 A132 L133 P138	K37-N136 PolarHBondContact NZ-O 3.2Å; P38-N136 PolarHBondContact O-ND2 2.8Å; L40-N136 HydrophobicContact CD1-CB 3.87Å; L40-N136 HydrophobicContact CD2-CB 4.5Å; L40-N136 HydrophobicContact CG-CB 4.37Å; A132-N136 PolarHBondContact O-N 3.1Å; A132-N136 PolarHBondContact O-ND2 3.06Å; L133-N136 PolarHBondContact O-N 3.39Å; L133-N136 VanDerWaalsContact O-N 3.16Å; N136-P138 VanDerWaalsContact C-CD 3.46Å
137	Y	98.6	Very high	98.8	Very high	58 Å²	58	16.5 Å²	16.5	23%	0.227	9%	0.086	C	C	.	.			trans	-129.7	57.1	-169.8	-55.7	-60.2	0	0	0	112.7	L40 P105 S106 L133 K134 D139 T140 L141	L40-Y137 HydrophobicContact CD1-CD2 4.31Å; L40-Y137 HydrophobicContact CD1-CE2 3.38Å; P105-Y137 HydrophobicContact CB-CD2 3.95Å; P105-Y137 HydrophobicContact CB-CE2 3.88Å; S106-Y137 WeakPolarHBondContact CB-OH 3.3Å; L133-Y137 HydrophobicContact CD2-CD2 3.91Å; L133-Y137 HydrophobicContact CD2-CE2 3.78Å; L133-Y137 WeakPolarHBondContact O-CB 3.43Å; L133-Y137 WeakPolarHBondContact O-CD2 3.44Å; L133-Y137 PolarHBondContact O-N 2.84Å; K134-Y137 CarbonylContact O-C 3.55Å; Y137-D139 VanDerWaalsContact C-N 3.26Å; Y137-D139 PolarHBondContact O-N 2.9Å; Y137-T140 WeakPolarHBondContact CB-OG1 3.43Å; Y137-T140 PolarHBondContact O-N 3.28Å; Y137-L141 PolarHBondContact O-N 2.92Å
138	P	98.4	Very high	98.8	Very high	37 Å²	37	16.7 Å²	16.7	24%	0.24	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.1	-171.8	24.7	-34.9	0	0	0	113.8	I68 K134 N136	I68-P138 HydrophobicContact CG2-CB 4.08Å; K134-P138 PolarHBondContact NZ-O 3.04Å; K134-P138 VanDerWaalsContact O-CA 3.28Å; K134-P138 WeakPolarHBondContact O-CA 3.42Å; N136-P138 VanDerWaalsContact C-CD 3.46Å
139	D	98.3	Very high	98.8	Very high	125 Å²	125	16.7 Å²	16.7	67%	0.668	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	0	-175	-53.7	-54.2	0	0	0	114	R109 Y137 F142	R109-D139 PolarHBondContact NH1-O 3.43Å; R109-D139 PolarHBondContact NH2-O 3.08Å; Y137-D139 VanDerWaalsContact C-N 3.26Å; Y137-D139 PolarHBondContact O-N 2.9Å; D139-F142 VanDerWaalsContact O-CZ 3.23Å; D139-F142 WeakPolarHBondContact O-CZ 3.39Å
140	T	98.6	Very high	98.8	Very high	44 Å²	44	16.2 Å²	16.2	27%	0.27	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-16	-179	58.7	0	0	0	0	113.9	R109 Y110 Y137	R109-T140 CarbonylContact C-O 3.6Å; R109-T140 WeakPolarHBondContact CA-O 3.3Å; R109-T140 HydrophobicContact CG-CG2 4.1Å; Y110-T140 PolarHBondContact N-O 3.27Å; Y137-T140 WeakPolarHBondContact CB-OG1 3.43Å; Y137-T140 PolarHBondContact O-N 3.28Å
141	L	98.8	Very high	98.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.9	173.4	-172.8	137	0	0	0	110.5	P105 F112 L133 K134 Y137 L143	P105-L141 HydrophobicContact CB-CD1 4.41Å; F112-L141 HydrophobicContact CE2-CD1 4.44Å; L133-L141 HydrophobicContact CB-CD1 3.8Å; L133-L141 HydrophobicContact CB-CD2 4.2Å; L133-L141 HydrophobicContact CD1-CD1 4.05Å; L133-L141 HydrophobicContact CG-CD1 4.44Å; K134-L141 HydrophobicContact CB-CD2 4.16Å; K134-L141 HydrophobicContact CD-CD2 4.45Å; K134-L141 WeakPolarHBondContact CD-O 3.27Å; K134-L141 PolarHBondContact NZ-O 2.89Å; Y137-L141 PolarHBondContact O-N 2.92Å; L141-L143 HydrophobicContact CD2-CD1 4.43Å; L141-L143 HydrophobicContact CD2-CD2 3.93Å; L141-L143 HydrophobicContact CD2-CG 4.04Å
142	F	98.9	Very high	98.6	Very high	16 Å²	16	22.5 Å²	22.5	7%	0.07	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.3	-173.8	-55.4	-76.3	0	0	0	110.2	L76 V78 I82 R109 Y110 L111 F112 D139	L76-F142 HydrophobicContact CD1-CB 3.83Å; L76-F142 HydrophobicContact CD1-CD1 3.93Å; L76-F142 HydrophobicContact CD1-CG 4.19Å; V78-F142 HydrophobicContact CB-CD2 4.43Å; V78-F142 HydrophobicContact CB-CE2 4.3Å; V78-F142 HydrophobicContact CG1-CD1 4Å; V78-F142 HydrophobicContact CG1-CD2 3.65Å; V78-F142 HydrophobicContact CG1-CE1 4.01Å; V78-F142 HydrophobicContact CG1-CE2 3.67Å; V78-F142 HydrophobicContact CG1-CG 3.82Å; V78-F142 HydrophobicContact CG1-CZ 3.84Å; I82-F142 HydrophobicContact CD1-CD2 4.49Å; R109-F142 VanDerWaalsContact NH2-CE2 3.35Å; Y110-F142 VanDerWaalsContact O-CD2 3.31Å; Y110-F142 WeakPolarHBondContact O-CD2 3.36Å; Y110-F142 PolarHBondContact O-N 3.48Å; L111-F142 WeakPolarHBondContact CA-O 3.3Å; L111-F142 HydrophobicContact CD1-CB 3.76Å; F112-F142 PolarHBondContact N-O 3.21Å; D139-F142 VanDerWaalsContact O-CZ 3.23Å; D139-F142 WeakPolarHBondContact O-CZ 3.39Å
143	L	98.9	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.6	-176.7	-59.7	177.9	0	0	0	107.8	L69 F112 Y116 L130 W131 K134 L141 L182 P183	L69-L143 HydrophobicContact CD2-CB 4.4Å; F112-L143 HydrophobicContact CB-CD2 3.89Å; F112-L143 HydrophobicContact CD2-CD2 3.83Å; F112-L143 HydrophobicContact CG-CD2 4.03Å; Y116-L143 HydrophobicContact CE1-CD2 4.06Å; Y116-L143 WeakPolarHBondContact OH-CA 2.97Å; Y116-L143 WeakPolarHBondContact OH-CB 3.23Å; L130-L143 HydrophobicContact CB-CD1 4.34Å; L130-L143 HydrophobicContact CB-CD2 4.41Å; L130-L143 HydrophobicContact CD2-CD2 4.41Å; W131-L143 HydrophobicContact CD2-CD1 4.49Å; W131-L143 HydrophobicContact CE3-CD1 3.99Å; W131-L143 HydrophobicContact CH2-CD1 4.45Å; W131-L143 HydrophobicContact CZ3-CD1 3.98Å; K134-L143 HydrophobicContact CB-CD1 4.28Å; L141-L143 HydrophobicContact CD2-CD1 4.43Å; L141-L143 HydrophobicContact CD2-CD2 3.93Å; L141-L143 HydrophobicContact CD2-CG 4.04Å; L143-L182 HydrophobicContact CB-CD2 3.75Å; L143-P183 WeakPolarHBondContact O-CD 3.37Å
144	L	98.9	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.			trans	-94.5	165.5	170.1	-57.6	-172.5	0	0	0	110.9	L76 L111 F112 L113 Y116 P183 A186	L76-L144 HydrophobicContact CD1-CD2 3.85Å; L76-L144 HydrophobicContact CG-CD2 4.4Å; L111-L144 HydrophobicContact CD1-CD1 4.19Å; L111-L144 HydrophobicContact CD1-CD2 4.2Å; L111-L144 HydrophobicContact CD1-CG 3.88Å; F112-L144 WeakPolarHBondContact O-CB 3.45Å; F112-L144 WeakPolarHBondContact O-CG 3.27Å; F112-L144 PolarHBondContact O-N 3Å; L113-L144 HydrophobicContact CD2-CD1 3.83Å; Y116-L144 VanDerWaalsContact CE2-O 3.32Å; Y116-L144 WeakPolarHBondContact CE2-O 3.42Å; Y116-L144 PolarHBondContact OH-N 2.91Å; Y116-L144 VanDerWaalsContact OH-N 3.17Å; Y116-L144 PolarHBondContact OH-O 2.77Å; L144-P183 CarbonylContact C-O 3.44Å; L144-P183 WeakPolarHBondContact CA-O 3.17Å; L144-P183 HydrophobicContact CD2-CB 3.91Å; L144-A186 HydrophobicContact CD1-CB 4.4Å; L144-A186 HydrophobicContact CD2-CB 4.36Å
145	R	98.9	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.			trans	-84.7	128.9	172.9	-158.3	174.9	-173.6	167.4	7.7	109.7	E149 F179 D180 L182 P183 L184 R214 K216 L228	R145-E149 HydrophobicContact CG-CB 3.85Å; R145-E149 PolarHBondContact NE-O 3.38Å; R145-E149 PolarHBondContact NH2-O 2.96Å; R145-F179 PolarHBondContact NE-O 3.4Å; R145-D180 IonicContact CZ-OD1 2.66Å; R145-D180 IonicContact NH1-OD1 4Å; R145-D180 IonicContact NH2-OD1 3.91Å; R145-D180 PolarHBondContact NH2-OD1 3.07Å; R145-L182 HydrophobicContact CB-CB 3.63Å; R145-L182 HydrophobicContact CB-CD1 4.29Å; R145-L182 HydrophobicContact CG-CB 4.01Å; R145-L182 HydrophobicContact CG-CD1 4.12Å; R145-P183 PolarHBondContact N-O 2.96Å; R145-L184 HydrophobicContact CB-CD2 4.01Å; R145-R214 PolarHBondContact NH1-O 3.31Å; R145-K216 PolarHBondContact NH1-O 2.81Å; R145-L228 HydrophobicContact CB-CD2 4.26Å; R145-L228 WeakPolarHBondContact O-CD2 3.3Å
146	G	98.9	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.			trans	-94.4	179.5	163.5	0	0	0	0	0	112	D115 H148 E149 H196	D115-G146 WeakPolarHBondContact OD1-CA 3.35Å; G146-H148 VanDerWaalsContact C-N 3.3Å; G146-E149 WeakPolarHBondContact CA-OE2 3.45Å; G146-E149 PolarHBondContact N-OE2 2.84Å; G146-H196 WeakPolarHBondContact CA-CD2 3.44Å; G146-H196 VanDerWaalsContact CA-CG 3.43Å
147	N	98.8	Very high	97.2	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	13%	0.131	C	C	.	.	S	Bend	trans	-69.8	-31.5	178.2	61.8	-58.6	0	0	0	111.3	D115 E149 C150 L153 H196 L228 W229 H278	D115-N147 PolarHBondContact OD1-N 3.38Å; D115-N147 PolarHBondContact OD1-OD1 3Å; D115-N147 PolarHBondContact OD2-OD1 2.93Å; N147-E149 VanDerWaalsContact C-N 3.28Å; N147-E149 PolarHBondContact O-N 3.09Å; N147-C150 PolarHBondContact O-SG 3.48Å; N147-L153 WeakPolarHBondContact O-CD2 3.38Å; N147-H196 PolarHBondContact N-CD2 3.11Å; N147-H196 VanDerWaalsContact N-CD2 3.29Å; N147-H196 PolarHBondContact OD1-CD2 3.18Å; N147-H196 PolarHBondContact OD1-NE2 3.16Å; N147-L228 HydrophobicContact CB-CB 4.19Å; N147-W229 HydrophobicContact CB-CD2 3.93Å; N147-W229 HydrophobicContact CB-CG 4.28Å; N147-W229 HydrophobicContact CB-CZ2 3.97Å; N147-W229 WeakPolarHBondContact ND2-CH2 3.37Å; N147-H278 VanDerWaalsContact CG-CE1 3.5Å; N147-H278 PolarHBondContact OD1-CE1 3.17Å; N147-H278 VanDerWaalsContact OD1-CE1 3.32Å; N147-H278 PolarHBondContact OD1-ND1 2.88Å
148	H	98.6	Very high	96.9	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.023	12%	0.121	C	C	.	.	S	Bend	trans	-71.9	-16.2	179.5	-79	-96.6	0	0	0	114.4	H89 D115 V117 D118 G146 C150 T154 F157	H89-H148 AromaticContact CE1-CD2 3.59Å; H89-H148 AromaticContact CE1-NE2 3.7Å; D115-H148 WeakPolarHBondContact OD1-CB 3.42Å; D115-H148 IonicContact OD1-CD2 2.94Å; D115-H148 IonicContact OD1-CG 3.17Å; D115-H148 PolarHBondContact OD1-N 3.4Å; D115-H148 IonicContact OD2-CD2 2.82Å; D115-H148 PolarHBondContact OD2-CD2 2.84Å; V117-H148 HydrophobicContact CG2-CB 4.17Å; D118-H148 WeakPolarHBondContact CB-ND1 3.45Å; D118-H148 IonicContact OD2-CE1 3.82Å; D118-H148 IonicContact OD2-CG 3.64Å; D118-H148 IonicContact OD2-ND1 3.45Å; D118-H148 PolarHBondContact OD2-ND1 3.14Å; G146-H148 VanDerWaalsContact C-N 3.3Å; H148-C150 PolarHBondContact O-N 3.14Å; H148-T154 WeakPolarHBondContact O-CG2 3.25Å; H148-F157 AromaticContact CE1-CD2 3.65Å; H148-F157 AromaticContact CE1-CE2 3.52Å; H148-F157 AromaticContact ND1-CD2 3.96Å
149	E	98.8	Very high	96.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-78.6	56.9	175.5	-76.8	74.1	-130.3	0	0	112.4	D115 Y116 R145 G146 N147 F179 L182	D115-E149 WeakPolarHBondContact CA-OE1 3.43Å; D115-E149 PolarHBondContact N-OE1 2.97Å; D115-E149 PolarHBondContact N-OE2 3.42Å; Y116-E149 VanDerWaalsContact CD2-CD 3.45Å; Y116-E149 HydrophobicContact CD2-CG 3.74Å; Y116-E149 WeakPolarHBondContact CD2-OE1 3.44Å; Y116-E149 HydrophobicContact CE2-CG 4.15Å; Y116-E149 PolarHBondContact N-OE1 3.17Å; R145-E149 HydrophobicContact CG-CB 3.85Å; R145-E149 PolarHBondContact NE-O 3.38Å; R145-E149 PolarHBondContact NH2-O 2.96Å; G146-E149 WeakPolarHBondContact CA-OE2 3.45Å; G146-E149 PolarHBondContact N-OE2 2.84Å; N147-E149 VanDerWaalsContact C-N 3.28Å; N147-E149 PolarHBondContact O-N 3.09Å; E149-F179 HydrophobicContact CB-CB 3.95Å; E149-F179 HydrophobicContact CB-CD1 4.25Å; E149-F179 HydrophobicContact CB-CD2 3.81Å; E149-F179 HydrophobicContact CB-CE2 4.36Å; E149-F179 HydrophobicContact CB-CG 3.74Å; E149-F179 HydrophobicContact CG-CD1 3.91Å; E149-F179 HydrophobicContact CG-CD2 3.99Å; E149-F179 HydrophobicContact CG-CE1 4.05Å; E149-F179 HydrophobicContact CG-CE2 4.11Å; E149-F179 HydrophobicContact CG-CG 3.89Å; E149-F179 HydrophobicContact CG-CZ 4.15Å; E149-L182 HydrophobicContact CB-CD1 3.96Å; E149-L182 HydrophobicContact CG-CD1 3.73Å
150	C	98.6	Very high	96.9	Very high	5 Å²	5	19 Å²	19	3%	0.034	9%	0.085	C	C	.	.	S	Bend	trans	-150.4	161.7	178	77	0	0	0	0	112.7	N147 H148 H152 L153 T154 E217 P218	N147-C150 PolarHBondContact O-SG 3.48Å; H148-C150 PolarHBondContact O-N 3.14Å; C150-H152 VanDerWaalsContact C-N 3.32Å; C150-H152 PolarHBondContact O-N 3.39Å; C150-L153 WeakPolarHBondContact SG-CD2 3.49Å; C150-L153 PolarHBondContact SG-N 2.81Å; C150-T154 WeakPolarHBondContact O-CB 3.43Å; C150-T154 VanDerWaalsContact O-CG2 3.29Å; C150-T154 WeakPolarHBondContact O-CG2 3.31Å; C150-T154 PolarHBondContact O-N 2.79Å; C150-T154 PolarHBondContact O-OG1 2.94Å; C150-E217 VanDerWaalsContact CB-OE1 3.26Å; C150-E217 WeakPolarHBondContact CB-OE1 3.28Å; C150-P218 HydrophobicContact CB-CG 3.87Å
151	R	98.5	Very high	96.8	Very high	80 Å²	80	20.7 Å²	20.7	30%	0.302	9%	0.09	S	C	.	.	H	α-helix	trans	-66.1	-37.7	-178.7	-63.4	161.5	-175.6	79.7	-0.4	111.1	E155 M176 D180 E217	R151-E155 WeakPolarHBondContact O-CB 3.23Å; R151-E155 PolarHBondContact O-N 3.26Å; R151-M176 HydrophobicContact CB-SD 4.21Å; R151-M176 HydrophobicContact CG-CB 4.09Å; R151-M176 HydrophobicContact CG-CG 3.73Å; R151-M176 HydrophobicContact CG-SD 3.54Å; R151-M176 VanDerWaalsContact CG-SD 3.54Å; R151-D180 IonicContact CZ-OD2 2.79Å; R151-D180 IonicContact NH1-OD1 3.86Å; R151-D180 PolarHBondContact NH1-OD1 3.46Å; R151-D180 VanDerWaalsContact NH1-OD1 3.12Å; R151-D180 IonicContact NH1-OD2 3.98Å; R151-D180 PolarHBondContact NH1-OD2 3.46Å; R151-D180 IonicContact NH2-OD2 2.7Å; R151-D180 PolarHBondContact NH2-OD2 3.41Å; R151-E217 WeakPolarHBondContact CB-OE2 3.4Å; R151-E217 WeakPolarHBondContact CD-OE2 3.49Å; R151-E217 WeakPolarHBondContact CG-OE2 3.42Å; R151-E217 IonicContact CZ-OE2 2.81Å; R151-E217 PolarHBondContact N-OE1 2.79Å; R151-E217 PolarHBondContact N-OE2 2.7Å; R151-E217 IonicContact NH1-OE2 3.54Å; R151-E217 PolarHBondContact NH1-OE2 3Å
152	H	95.5	Very high	96.7	Very high	53 Å²	53	20.6 Å²	20.6	25%	0.245	9%	0.09	C	C	.	.	H	α-helix	trans	-62.1	-48.9	-175.3	-173	63.3	0	0	0	112.8	C150 Y156 E217 P481	C150-H152 VanDerWaalsContact C-N 3.32Å; C150-H152 PolarHBondContact O-N 3.39Å; H152-Y156 PolarHBondContact O-N 2.79Å; H152-E217 PolarHBondContact N-OE1 3.32Å; H152-P481 PolarHBondContact CE1-O 3.38Å; H152-P481 PolarHBondContact NE2-O 3.36Å
153	L	94.7	Very high	96.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-72.2	-46.8	176.5	-83	-25.7	0	0	0	112.6	N147 C150 E155 Y156 F157 W229 P481	N147-L153 WeakPolarHBondContact O-CD2 3.38Å; C150-L153 WeakPolarHBondContact SG-CD2 3.49Å; C150-L153 PolarHBondContact SG-N 2.81Å; L153-E155 PolarHBondContact O-N 3.36Å; L153-Y156 CarbonylContact O-C 3.47Å; L153-Y156 WeakPolarHBondContact O-CA 3.42Å; L153-Y156 WeakPolarHBondContact O-CB 3.38Å; L153-Y156 PolarHBondContact O-N 2.97Å; L153-F157 HydrophobicContact CB-CD2 4.12Å; L153-F157 HydrophobicContact CB-CE2 4.49Å; L153-F157 HydrophobicContact CD1-CD2 4.22Å; L153-F157 HydrophobicContact CD1-CE2 3.8Å; L153-F157 HydrophobicContact CG-CD2 4.37Å; L153-F157 HydrophobicContact CG-CE2 4.24Å; L153-F157 PolarHBondContact O-N 2.89Å; L153-W229 HydrophobicContact CD1-CH2 4.19Å; L153-W229 HydrophobicContact CD1-CZ2 4.39Å; L153-W229 HydrophobicContact CD2-CH2 3.98Å; L153-W229 HydrophobicContact CD2-CZ2 3.47Å; L153-W229 VanDerWaalsContact CD2-CZ2 3.47Å; L153-W229 HydrophobicContact CG-CZ2 4.44Å; L153-P481 HydrophobicContact CD1-CG 3.38Å
154	T	96.6	Very high	96.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.1	-21.5	-172.9	56	0	0	0	0	113.3	V117 H148 C150 F159 K160 Y172 M176	V117-T154 HydrophobicContact CG2-CG2 3.79Å; H148-T154 WeakPolarHBondContact O-CG2 3.25Å; C150-T154 WeakPolarHBondContact O-CB 3.43Å; C150-T154 VanDerWaalsContact O-CG2 3.29Å; C150-T154 WeakPolarHBondContact O-CG2 3.31Å; C150-T154 PolarHBondContact O-N 2.79Å; C150-T154 PolarHBondContact O-OG1 2.94Å; T154-F159 HydrophobicContact CG2-CB 3.89Å; T154-F159 HydrophobicContact CG2-CD1 3.64Å; T154-F159 HydrophobicContact CG2-CG 4.19Å; T154-K160 WeakPolarHBondContact O-CB 3.3Å; T154-K160 PolarHBondContact O-N 2.74Å; T154-Y172 WeakPolarHBondContact OG1-CE2 3.44Å; T154-Y172 PolarHBondContact OG1-OH 3.44Å; T154-Y172 VanDerWaalsContact OG1-OH 3.1Å; T154-M176 HydrophobicContact CG2-CE 4.26Å
155	E	92.1	Very high	96.6	Very high	68 Å²	68	27 Å²	27	32%	0.318	12%	0.12	S	C	.	.	H	α-helix	trans	-79.2	-30.7	168.3	-179.8	162.5	-139.3	0	0	113.3	R151 L153 K160 R484	R151-E155 WeakPolarHBondContact O-CB 3.23Å; R151-E155 PolarHBondContact O-N 3.26Å; L153-E155 PolarHBondContact O-N 3.36Å; E155-K160 HydrophobicContact CB-CD 4.11Å; E155-K160 HydrophobicContact CG-CD 4.08Å; E155-K160 IonicContact OE1-NZ 3.19Å; E155-K160 PolarHBondContact OE1-NZ 3.44Å; E155-R484 IonicContact OE1-CZ 3.77Å; E155-R484 IonicContact OE1-NH1 2.99Å; E155-R484 PolarHBondContact OE1-NH1 3.08Å; E155-R484 IonicContact OE1-NH2 2.65Å; E155-R484 PolarHBondContact OE1-NH2 3.45Å; E155-R484 IonicContact OE2-CZ 3.84Å; E155-R484 IonicContact OE2-NH1 3.25Å; E155-R484 PolarHBondContact OE2-NH1 3.16Å; E155-R484 VanDerWaalsContact OE2-NH1 3.09Å; E155-R484 IonicContact OE2-NH2 2.62Å
156	Y	89.6	Confident	96.6	Very high	72 Å²	72	27.1 Å²	27.1	28%	0.282	12%	0.121	S	C	.	.	H	α-helix	trans	-77.8	-43.8	176.9	179.5	-98.1	0	0	0	111.9	H152 L153 T427 P481	H152-Y156 PolarHBondContact O-N 2.79Å; L153-Y156 CarbonylContact O-C 3.47Å; L153-Y156 WeakPolarHBondContact O-CA 3.42Å; L153-Y156 WeakPolarHBondContact O-CB 3.38Å; L153-Y156 PolarHBondContact O-N 2.97Å; Y156-T427 HydrophobicContact CD1-CG2 4.13Å; Y156-T427 HydrophobicContact CD2-CG2 4.16Å; Y156-T427 HydrophobicContact CE1-CG2 3.69Å; Y156-T427 HydrophobicContact CE2-CG2 3.74Å; Y156-T427 HydrophobicContact CG-CG2 4.35Å; Y156-T427 VanDerWaalsContact CZ-CG2 3.48Å; Y156-T427 WeakPolarHBondContact O-CG2 3.38Å; Y156-P481 HydrophobicContact CD1-CB 3.99Å; Y156-P481 HydrophobicContact CD1-CG 3.47Å; Y156-P481 VanDerWaalsContact CD1-CG 3.47Å; Y156-P481 HydrophobicContact CD2-CB 3.6Å; Y156-P481 HydrophobicContact CD2-CG 4.04Å; Y156-P481 HydrophobicContact CE1-CB 4.34Å; Y156-P481 HydrophobicContact CE1-CG 3.99Å; Y156-P481 HydrophobicContact CE2-CB 3.98Å; Y156-P481 HydrophobicContact CE2-CG 4.49Å; Y156-P481 HydrophobicContact CG-CB 3.6Å; Y156-P481 HydrophobicContact CG-CG 3.49Å; Y156-P481 VanDerWaalsContact CG-CG 3.49Å
157	F	91.8	Very high	96.6	Very high	11 Å²	11	28.1 Å²	28.1	5%	0.048	13%	0.125	C	C	.	.	S	Bend	trans	-88.6	-145	177.2	-66.4	-60.6	0	0	0	111	D118 H148 L153 P426 N477	D118-F157 HydrophobicContact CB-CB 3.91Å; D118-F157 HydrophobicContact CB-CD2 4.38Å; D118-F157 HydrophobicContact CB-CG 4.37Å; D118-F157 VanDerWaalsContact CG-CB 3.47Å; D118-F157 WeakPolarHBondContact OD1-CB 3.36Å; H148-F157 AromaticContact CE1-CD2 3.65Å; H148-F157 AromaticContact CE1-CE2 3.52Å; H148-F157 AromaticContact ND1-CD2 3.96Å; L153-F157 HydrophobicContact CB-CD2 4.12Å; L153-F157 HydrophobicContact CB-CE2 4.49Å; L153-F157 HydrophobicContact CD1-CD2 4.22Å; L153-F157 HydrophobicContact CD1-CE2 3.8Å; L153-F157 HydrophobicContact CG-CD2 4.37Å; L153-F157 HydrophobicContact CG-CE2 4.24Å; L153-F157 PolarHBondContact O-N 2.89Å; F157-P426 HydrophobicContact CD1-CB 3.92Å; F157-P426 HydrophobicContact CD1-CG 3.78Å; F157-P426 HydrophobicContact CE1-CG 4.09Å; F157-N477 HydrophobicContact CE1-CB 3.96Å; F157-N477 HydrophobicContact CZ-CB 4.06Å; F157-N477 WeakPolarHBondContact CZ-O 3.39Å
158	T	93.4	Very high	96.6	Very high	1 Å²	1	29 Å²	29	1%	0.006	13%	0.131	C	C	.	.	S	Bend	trans	-106.7	-14.8	-160.3	51.4	0	0	0	0	113.5	D118 Y121 K160 Q161 E162 N342 P426	D118-T158 PolarHBondContact OD1-N 2.9Å; Y121-T158 HydrophobicContact CE1-CG2 4.14Å; T158-K160 PolarHBondContact O-N 2.9Å; T158-Q161 PolarHBondContact O-N 2.63Å; T158-E162 WeakPolarHBondContact O-CB 3.41Å; T158-E162 PolarHBondContact O-N 2.83Å; T158-N342 WeakPolarHBondContact CG2-OD1 3.36Å; T158-P426 HydrophobicContact CG2-CB 3.78Å
159	F	97.9	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-38.6	-172.1	-177	-123.3	0	0	0	113.9	V117 D118 I124 V127 T154 Q161 E162 C163 Y172 C175 M176 F179	V117-F159 HydrophobicContact CB-CB 4.23Å; V117-F159 HydrophobicContact CB-CD1 4.2Å; V117-F159 HydrophobicContact CB-CD2 4.01Å; V117-F159 HydrophobicContact CB-CE2 4.38Å; V117-F159 HydrophobicContact CB-CG 3.89Å; V117-F159 HydrophobicContact CG1-CD1 4.2Å; V117-F159 HydrophobicContact CG1-CD2 3.97Å; V117-F159 HydrophobicContact CG1-CE1 4.07Å; V117-F159 HydrophobicContact CG1-CE2 3.82Å; V117-F159 HydrophobicContact CG1-CG 4.13Å; V117-F159 HydrophobicContact CG1-CZ 3.86Å; V117-F159 HydrophobicContact CG2-CB 4.47Å; V117-F159 HydrophobicContact CG2-CD1 4.23Å; V117-F159 HydrophobicContact CG2-CG 4.28Å; D118-F159 WeakPolarHBondContact OD1-CB 3.43Å; D118-F159 PolarHBondContact OD1-N 3.14Å; I124-F159 HydrophobicContact CB-CE2 4.19Å; I124-F159 HydrophobicContact CD1-CE2 4.29Å; I124-F159 HydrophobicContact CD1-CZ 4.25Å; V127-F159 HydrophobicContact CG2-CZ 4.21Å; T154-F159 HydrophobicContact CG2-CB 3.89Å; T154-F159 HydrophobicContact CG2-CD1 3.64Å; T154-F159 HydrophobicContact CG2-CG 4.19Å; F159-Q161 VanDerWaalsContact C-N 3.33Å; F159-Q161 PolarHBondContact O-N 3.29Å; F159-E162 WeakPolarHBondContact O-CB 3.01Å; F159-E162 PolarHBondContact O-N 2.93Å; F159-C163 PolarHBondContact O-N 2.96Å; F159-C163 PolarHBondContact O-SG 3.28Å; F159-C163 VanDerWaalsContact O-SG 3.32Å; F159-Y172 HydrophobicContact CD1-CD2 4.26Å; F159-Y172 HydrophobicContact CD1-CE2 4.36Å; F159-Y172 HydrophobicContact CE1-CD2 4.44Å; F159-C175 HydrophobicContact CE1-CB 3.92Å; F159-C175 HydrophobicContact CZ-CB 4.12Å; F159-M176 HydrophobicContact CD1-CE 4.09Å; F159-M176 HydrophobicContact CE1-CE 3.91Å; F159-F179 HydrophobicContact CD1-CE2 4.31Å; F159-F179 AromaticContact CE1-CE2 3.78Å; F159-F179 HydrophobicContact CE1-CE2 3.78Å; F159-F179 AromaticContact CE1-CZ 3.87Å; F159-F179 HydrophobicContact CE1-CZ 3.87Å; F159-F179 HydrophobicContact CZ-CZ 4.24Å
160	K	97.9	Very high	96.5	Very high	37 Å²	37	38.6 Å²	38.6	16%	0.161	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-43.4	174.5	-174.3	172.3	-176.9	171.8	0	111.5	T154 E155 T158 C163 K164 E169 Y172	T154-K160 WeakPolarHBondContact O-CB 3.3Å; T154-K160 PolarHBondContact O-N 2.74Å; E155-K160 HydrophobicContact CB-CD 4.11Å; E155-K160 HydrophobicContact CG-CD 4.08Å; E155-K160 IonicContact OE1-NZ 3.19Å; E155-K160 PolarHBondContact OE1-NZ 3.44Å; T158-K160 PolarHBondContact O-N 2.9Å; K160-C163 PolarHBondContact O-N 3.37Å; K160-K164 WeakPolarHBondContact O-CG 3.49Å; K160-K164 PolarHBondContact O-N 2.85Å; K160-K164 VanDerWaalsContact O-N 3.15Å; K160-E169 WeakPolarHBondContact CE-OE1 3.32Å; K160-E169 IonicContact NZ-OE1 3.33Å; K160-Y172 HydrophobicContact CB-CD2 3.87Å; K160-Y172 HydrophobicContact CB-CE2 3.57Å; K160-Y172 HydrophobicContact CB-CG 4.48Å; K160-Y172 HydrophobicContact CD-CD1 4.44Å; K160-Y172 HydrophobicContact CD-CE1 3.94Å; K160-Y172 HydrophobicContact CD-CE2 4.32Å; K160-Y172 HydrophobicContact CG-CD1 4.14Å; K160-Y172 HydrophobicContact CG-CD2 4.01Å; K160-Y172 HydrophobicContact CG-CE1 4.05Å; K160-Y172 HydrophobicContact CG-CE2 3.88Å; K160-Y172 HydrophobicContact CG-CG 4.12Å
161	Q	95.7	Very high	96.6	Very high	80 Å²	80	38.4 Å²	38.4	37%	0.374	18%	0.175	S	C	.	.	H	α-helix	trans	-67.4	-40.3	177.1	-177	61.1	14.7	0	0	111.7	T158 F159 C163 K164 I165 F343	T158-Q161 PolarHBondContact O-N 2.63Å; F159-Q161 VanDerWaalsContact C-N 3.33Å; F159-Q161 PolarHBondContact O-N 3.29Å; Q161-C163 VanDerWaalsContact C-N 3.34Å; Q161-C163 PolarHBondContact O-N 3.47Å; Q161-K164 PolarHBondContact O-N 3.21Å; Q161-I165 HydrophobicContact CG-CG1 4.37Å; Q161-I165 WeakPolarHBondContact O-CG1 3.48Å; Q161-I165 PolarHBondContact O-N 3.42Å; Q161-F343 HydrophobicContact CG-CD2 4.41Å
162	E	98.4	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55.9	-48.9	175	-177	173	171	0	0	111.1	F122 S123 I124 T158 F159 K164 I165 K166 F343	F122-E162 WeakPolarHBondContact CA-OE1 3.4Å; S123-E162 WeakPolarHBondContact CB-OE2 3.47Å; S123-E162 PolarHBondContact N-OE1 3Å; S123-E162 PolarHBondContact N-OE2 3.29Å; S123-E162 PolarHBondContact OG-OE2 2.9Å; I124-E162 HydrophobicContact CG2-CG 4.34Å; I124-E162 WeakPolarHBondContact CG2-OE1 3.4Å; I124-E162 PolarHBondContact N-OE1 2.92Å; T158-E162 WeakPolarHBondContact O-CB 3.41Å; T158-E162 PolarHBondContact O-N 2.83Å; F159-E162 WeakPolarHBondContact O-CB 3.01Å; F159-E162 PolarHBondContact O-N 2.93Å; E162-K164 PolarHBondContact O-N 3.24Å; E162-I165 PolarHBondContact O-N 3.45Å; E162-K166 HydrophobicContact CG-CD 3.78Å; E162-K166 HydrophobicContact CG-CG 4.41Å; E162-K166 WeakPolarHBondContact O-CB 3.36Å; E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 3.42Å; E162-K166 IonicContact OE1-NZ 3.59Å; E162-K166 PolarHBondContact OE1-NZ 2.89Å; E162-F343 HydrophobicContact CB-CD2 4.33Å; E162-F343 HydrophobicContact CB-CE1 4.35Å; E162-F343 HydrophobicContact CB-CE2 3.47Å; E162-F343 VanDerWaalsContact CB-CE2 3.47Å; E162-F343 HydrophobicContact CB-CZ 3.48Å; E162-F343 VanDerWaalsContact CB-CZ 3.48Å; E162-F343 HydrophobicContact CG-CE1 3.93Å; E162-F343 HydrophobicContact CG-CE2 3.95Å; E162-F343 HydrophobicContact CG-CZ 3.39Å
163	C	98.7	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-45	176.8	-69.4	0	0	0	0	111.6	F159 K160 Q161 I165 Y167 S168	F159-C163 PolarHBondContact O-N 2.96Å; F159-C163 PolarHBondContact O-SG 3.28Å; F159-C163 VanDerWaalsContact O-SG 3.32Å; K160-C163 PolarHBondContact O-N 3.37Å; Q161-C163 VanDerWaalsContact C-N 3.34Å; Q161-C163 PolarHBondContact O-N 3.47Å; C163-I165 VanDerWaalsContact C-N 3.35Å; C163-I165 PolarHBondContact O-N 3Å; C163-Y167 CarbonylContact O-C 3.44Å; C163-Y167 VanDerWaalsContact O-CA 3.27Å; C163-Y167 WeakPolarHBondContact O-CA 3.47Å; C163-Y167 PolarHBondContact O-N 2.81Å; C163-S168 PolarHBondContact O-N 3.06Å
164	K	97.9	Very high	96.9	Very high	83 Å²	83	36.6 Å²	36.6	36%	0.361	17%	0.174	S	C	.	.	H	α-helix	trans	-63.1	-37	178.3	-71.8	-175.4	-178.1	-155.9	0	113.3	K160 Q161 E162 E169	K160-K164 WeakPolarHBondContact O-CG 3.49Å; K160-K164 PolarHBondContact O-N 2.85Å; K160-K164 VanDerWaalsContact O-N 3.15Å; Q161-K164 PolarHBondContact O-N 3.21Å; E162-K164 PolarHBondContact O-N 3.24Å; K164-E169 VanDerWaalsContact CE-OE1 3.25Å; K164-E169 WeakPolarHBondContact CE-OE1 3.35Å; K164-E169 WeakPolarHBondContact CE-OE2 3.23Å; K164-E169 HydrophobicContact CG-CB 4.48Å; K164-E169 IonicContact NZ-OE1 3.86Å; K164-E169 PolarHBondContact NZ-OE1 3.09Å; K164-E169 IonicContact NZ-OE2 3.57Å; K164-E169 PolarHBondContact NZ-OE2 3.22Å
165	I	97.3	Very high	97	Very high	67 Å²	67	36.6 Å²	36.6	34%	0.344	17%	0.174	S	C	.	.	H	α-helix	trans	-79.3	-39.1	-179.3	-67.2	-69.5	0	0	0	112.1	R52 Q161 E162 C163 F343	R52-I165 PolarHBondContact NH1-O 3.11Å; Q161-I165 HydrophobicContact CG-CG1 4.37Å; Q161-I165 WeakPolarHBondContact O-CG1 3.48Å; Q161-I165 PolarHBondContact O-N 3.42Å; E162-I165 PolarHBondContact O-N 3.45Å; C163-I165 VanDerWaalsContact C-N 3.35Å; C163-I165 PolarHBondContact O-N 3Å; I165-F343 HydrophobicContact CB-CB 4.27Å; I165-F343 HydrophobicContact CG1-CB 3.99Å; I165-F343 HydrophobicContact CG2-CB 4.02Å
166	K	98.3	Very high	97.4	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-86.6	-37	-175.9	-66.6	-177.3	-178.5	178.2	0	112.8	R52 Y121 I124 E125 E162	R52-K166 WeakPolarHBondContact CD-O 3.4Å; R52-K166 PolarHBondContact NH1-O 3.43Å; Y121-K166 PolarHBondContact O-NZ 2.84Å; I124-K166 HydrophobicContact CG2-CD 3.6Å; E125-K166 IonicContact OE1-NZ 3.13Å; E125-K166 PolarHBondContact OE1-NZ 2.97Å; E125-K166 IonicContact OE2-NZ 2.81Å; E125-K166 PolarHBondContact OE2-NZ 2.82Å; E162-K166 HydrophobicContact CG-CD 3.78Å; E162-K166 HydrophobicContact CG-CG 4.41Å; E162-K166 WeakPolarHBondContact O-CB 3.36Å; E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 3.42Å; E162-K166 IonicContact OE1-NZ 3.59Å; E162-K166 PolarHBondContact OE1-NZ 2.89Å
167	Y	98.6	Very high	97.8	Very high	21 Å²	21	35.2 Å²	35.2	8%	0.082	17%	0.17	C	C	.	.	S	Bend	trans	-134.8	-106.2	-174.3	-64.6	-85.9	0	0	0	110.8	L53 A58 I124 L128 C163 V171	L53-Y167 HydrophobicContact CB-CE1 4.2Å; L53-Y167 PolarHBondContact N-OH 2.95Å; L53-Y167 WeakPolarHBondContact O-CE1 3.49Å; A58-Y167 HydrophobicContact CB-CD1 4.2Å; A58-Y167 HydrophobicContact CB-CE1 3.93Å; I124-Y167 HydrophobicContact CB-CE2 4.48Å; I124-Y167 HydrophobicContact CG1-CD2 3.9Å; I124-Y167 HydrophobicContact CG1-CE2 3.74Å; I124-Y167 HydrophobicContact CG2-CD2 4.27Å; I124-Y167 HydrophobicContact CG2-CE2 3.84Å; L128-Y167 HydrophobicContact CD1-CE2 4.27Å; L128-Y167 WeakPolarHBondContact CD1-OH 3.46Å; C163-Y167 CarbonylContact O-C 3.44Å; C163-Y167 VanDerWaalsContact O-CA 3.27Å; C163-Y167 WeakPolarHBondContact O-CA 3.47Å; C163-Y167 PolarHBondContact O-N 2.81Å; Y167-V171 HydrophobicContact CG-CG1 4.41Å; Y167-V171 HydrophobicContact CG-CG2 4.33Å
168	S	98.6	Very high	98.1	Very high	23 Å²	23	34.7 Å²	34.7	16%	0.161	17%	0.168	C	C	.	.			trans	-154.7	169.9	-176.1	72.2	0	0	0	0	111.1	E55 C163 Q170 V171 Y172	E55-S168 WeakPolarHBondContact OE1-CB 3.5Å; E55-S168 PolarHBondContact OE1-OG 2.89Å; C163-S168 PolarHBondContact O-N 3.06Å; S168-Q170 PolarHBondContact O-N 2.75Å; S168-Q170 WeakPolarHBondContact OG-CB 3.36Å; S168-Q170 PolarHBondContact OG-N 3.45Å; S168-V171 PolarHBondContact O-N 3.31Å; S168-V171 PolarHBondContact OG-N 2.96Å; S168-Y172 PolarHBondContact O-N 2.95Å
169	E	98.4	Very high	98.4	Very high	84 Å²	84	34.7 Å²	34.7	39%	0.393	17%	0.167	S	C	.	.	H	α-helix	trans	-66.6	-27.3	169.7	-170.7	153.4	-143.3	0	0	112	K160 K164 V171 Y172 D173	K160-E169 WeakPolarHBondContact CE-OE1 3.32Å; K160-E169 IonicContact NZ-OE1 3.33Å; K164-E169 VanDerWaalsContact CE-OE1 3.25Å; K164-E169 WeakPolarHBondContact CE-OE1 3.35Å; K164-E169 WeakPolarHBondContact CE-OE2 3.23Å; K164-E169 HydrophobicContact CG-CB 4.48Å; K164-E169 IonicContact NZ-OE1 3.86Å; K164-E169 PolarHBondContact NZ-OE1 3.09Å; K164-E169 IonicContact NZ-OE2 3.57Å; K164-E169 PolarHBondContact NZ-OE2 3.22Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-V171 PolarHBondContact O-N 2.84Å; E169-Y172 WeakPolarHBondContact O-CB 3.48Å; E169-Y172 PolarHBondContact O-N 3.14Å; E169-Y172 VanDerWaalsContact O-N 3.14Å; E169-D173 PolarHBondContact O-N 3.37Å
170	Q	98.8	Very high	98.5	Very high	122 Å²	122	35.5 Å²	35.5	57%	0.57	17%	0.172	S	C	*	.	H	α-helix	trans	-64.2	-37.8	175.3	-173.7	178.7	-1.4	0	0	112.1	L59 S168 Y172 D173 A174	L59-Q170 HydrophobicContact CD1-CG 4.27Å; L59-Q170 HydrophobicContact CD2-CG 4.25Å; S168-Q170 PolarHBondContact O-N 2.75Å; S168-Q170 WeakPolarHBondContact OG-CB 3.36Å; S168-Q170 PolarHBondContact OG-N 3.45Å; Q170-Y172 VanDerWaalsContact C-N 3.33Å; Q170-D173 PolarHBondContact O-N 3.42Å; Q170-A174 WeakPolarHBondContact O-CB 3.33Å; Q170-A174 PolarHBondContact O-N 2.84Å
171	V	98.9	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-37.3	173.6	171.3	0	0	0	0	111.4	E55 A58 L59 I62 I124 Y167 S168 E169 C175	E55-V171 HydrophobicContact CG-CG2 3.85Å; A58-V171 HydrophobicContact CB-CG2 4.5Å; L59-V171 HydrophobicContact CD2-CG2 4Å; L59-V171 HydrophobicContact CG-CG2 4.13Å; I62-V171 HydrophobicContact CD1-CG1 3.84Å; I124-V171 HydrophobicContact CD1-CG1 3.9Å; Y167-V171 HydrophobicContact CG-CG1 4.41Å; Y167-V171 HydrophobicContact CG-CG2 4.33Å; S168-V171 PolarHBondContact O-N 3.31Å; S168-V171 PolarHBondContact OG-N 2.96Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-V171 PolarHBondContact O-N 2.84Å; V171-C175 PolarHBondContact O-N 2.76Å; V171-C175 PolarHBondContact O-SG 3.49Å
172	Y	98.9	Very high	98.7	Very high	6 Å²	6	30.1 Å²	30.1	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-49.6	173.8	169.1	-98.6	0	0	0	111.4	T154 F159 K160 S168 E169 Q170 A174 C175 M176	T154-Y172 WeakPolarHBondContact OG1-CE2 3.44Å; T154-Y172 PolarHBondContact OG1-OH 3.44Å; T154-Y172 VanDerWaalsContact OG1-OH 3.1Å; F159-Y172 HydrophobicContact CD1-CD2 4.26Å; F159-Y172 HydrophobicContact CD1-CE2 4.36Å; F159-Y172 HydrophobicContact CE1-CD2 4.44Å; K160-Y172 HydrophobicContact CB-CD2 3.87Å; K160-Y172 HydrophobicContact CB-CE2 3.57Å; K160-Y172 HydrophobicContact CB-CG 4.48Å; K160-Y172 HydrophobicContact CD-CD1 4.44Å; K160-Y172 HydrophobicContact CD-CE1 3.94Å; K160-Y172 HydrophobicContact CD-CE2 4.32Å; K160-Y172 HydrophobicContact CG-CD1 4.14Å; K160-Y172 HydrophobicContact CG-CD2 4.01Å; K160-Y172 HydrophobicContact CG-CE1 4.05Å; K160-Y172 HydrophobicContact CG-CE2 3.88Å; K160-Y172 HydrophobicContact CG-CG 4.12Å; S168-Y172 PolarHBondContact O-N 2.95Å; E169-Y172 WeakPolarHBondContact O-CB 3.48Å; E169-Y172 PolarHBondContact O-N 3.14Å; E169-Y172 VanDerWaalsContact O-N 3.14Å; Q170-Y172 VanDerWaalsContact C-N 3.33Å; Y172-A174 VanDerWaalsContact C-N 3.3Å; Y172-A174 PolarHBondContact O-N 2.93Å; Y172-C175 WeakPolarHBondContact O-CA 3.31Å; Y172-C175 WeakPolarHBondContact O-CB 3.49Å; Y172-C175 PolarHBondContact O-N 3.02Å; Y172-M176 HydrophobicContact CD1-CG 4.26Å; Y172-M176 HydrophobicContact CD2-CE 4.03Å; Y172-M176 HydrophobicContact CE1-CG 3.8Å; Y172-M176 HydrophobicContact CE1-SD 4.42Å; Y172-M176 HydrophobicContact CE2-CE 3.61Å; Y172-M176 HydrophobicContact CE2-CG 4.1Å; Y172-M176 HydrophobicContact CE2-SD 3.88Å; Y172-M176 WeakPolarHBondContact O-CG 3.18Å; Y172-M176 PolarHBondContact O-N 3.32Å
173	D	98.8	Very high	98.7	Very high	82 Å²	82	30.1 Å²	30.1	44%	0.439	15%	0.147	S	C	.	.	H	α-helix	trans	-60.5	-40.7	-180	-67.8	-24.3	0	0	0	111.5	E169 Q170 C175 M176 E177	E169-D173 PolarHBondContact O-N 3.37Å; Q170-D173 PolarHBondContact O-N 3.42Å; D173-C175 VanDerWaalsContact C-N 3.34Å; D173-C175 PolarHBondContact O-N 3.12Å; D173-M176 WeakPolarHBondContact O-CB 3.35Å; D173-M176 PolarHBondContact O-N 3.14Å; D173-M176 VanDerWaalsContact O-N 3.14Å; D173-E177 PolarHBondContact O-N 3.34Å
174	A	98.9	Very high	98.7	Very high	9 Å²	9	30.1 Å²	30.1	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-39.4	173.4	0	0	0	0	0	112.4	L59 I62 Q170 Y172 M176 E177 A178	L59-A174 HydrophobicContact CD2-CB 3.61Å; I62-A174 HydrophobicContact CG2-CB 3.95Å; I62-A174 WeakPolarHBondContact CG2-O 3.31Å; Q170-A174 WeakPolarHBondContact O-CB 3.33Å; Q170-A174 PolarHBondContact O-N 2.84Å; Y172-A174 VanDerWaalsContact C-N 3.3Å; Y172-A174 PolarHBondContact O-N 2.93Å; A174-M176 VanDerWaalsContact C-N 3.33Å; A174-E177 PolarHBondContact O-N 3.23Å; A174-A178 WeakPolarHBondContact O-CB 3.32Å; A174-A178 PolarHBondContact O-N 3.17Å
175	C	98.9	Very high	98.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.8	-41.2	172.7	-67.4	0	0	0	0	111.3	F159 V171 Y172 D173 E177 A178 F179	F159-C175 HydrophobicContact CE1-CB 3.92Å; F159-C175 HydrophobicContact CZ-CB 4.12Å; V171-C175 PolarHBondContact O-N 2.76Å; V171-C175 PolarHBondContact O-SG 3.49Å; Y172-C175 WeakPolarHBondContact O-CA 3.31Å; Y172-C175 WeakPolarHBondContact O-CB 3.49Å; Y172-C175 PolarHBondContact O-N 3.02Å; D173-C175 VanDerWaalsContact C-N 3.34Å; D173-C175 PolarHBondContact O-N 3.12Å; C175-E177 PolarHBondContact O-N 3.07Å; C175-A178 CarbonylContact O-C 3.38Å; C175-A178 WeakPolarHBondContact O-CB 3.3Å; C175-A178 PolarHBondContact O-N 3.13Å; C175-A178 VanDerWaalsContact O-N 3.17Å; C175-F179 HydrophobicContact CB-CE1 4.49Å; C175-F179 HydrophobicContact CB-CE2 4.38Å; C175-F179 HydrophobicContact CB-CZ 4.19Å; C175-F179 WeakPolarHBondContact O-CB 3.33Å; C175-F179 VanDerWaalsContact O-CD1 3.3Å; C175-F179 WeakPolarHBondContact O-CD1 3.14Å; C175-F179 WeakPolarHBondContact O-CG 3.12Å; C175-F179 PolarHBondContact O-N 3.25Å
176	M	98.9	Very high	98.8	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-42.9	179.5	-63.1	-59.4	101.4	0	0	112.1	R151 T154 F159 Y172 D173 A174 A178 F179 D180	R151-M176 HydrophobicContact CB-SD 4.21Å; R151-M176 HydrophobicContact CG-CB 4.09Å; R151-M176 HydrophobicContact CG-CG 3.73Å; R151-M176 HydrophobicContact CG-SD 3.54Å; R151-M176 VanDerWaalsContact CG-SD 3.54Å; T154-M176 HydrophobicContact CG2-CE 4.26Å; F159-M176 HydrophobicContact CD1-CE 4.09Å; F159-M176 HydrophobicContact CE1-CE 3.91Å; Y172-M176 HydrophobicContact CD1-CG 4.26Å; Y172-M176 HydrophobicContact CD2-CE 4.03Å; Y172-M176 HydrophobicContact CE1-CG 3.8Å; Y172-M176 HydrophobicContact CE1-SD 4.42Å; Y172-M176 HydrophobicContact CE2-CE 3.61Å; Y172-M176 HydrophobicContact CE2-CG 4.1Å; Y172-M176 HydrophobicContact CE2-SD 3.88Å; Y172-M176 WeakPolarHBondContact O-CG 3.18Å; Y172-M176 PolarHBondContact O-N 3.32Å; D173-M176 WeakPolarHBondContact O-CB 3.35Å; D173-M176 PolarHBondContact O-N 3.14Å; D173-M176 VanDerWaalsContact O-N 3.14Å; A174-M176 VanDerWaalsContact C-N 3.33Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 2.59Å; M176-F179 HydrophobicContact CE-CD2 3.4Å; M176-F179 VanDerWaalsContact CE-CD2 3.4Å; M176-F179 HydrophobicContact CE-CE2 3.41Å; M176-F179 VanDerWaalsContact CE-CE2 3.41Å; M176-F179 PolarHBondContact O-N 3.43Å; M176-F179 HydrophobicContact SD-CD2 4.33Å; M176-D180 PolarHBondContact O-N 3.01Å; M176-D180 VanDerWaalsContact O-N 3.09Å
177	E	98.8	Very high	98.8	Very high	110 Å²	110	23.1 Å²	23.1	51%	0.514	12%	0.115	S	C	.	.	H	α-helix	trans	-64.4	-36.3	173.5	-68	-176	-175.6	0	0	112.4	D173 A174 C175 C181	D173-E177 PolarHBondContact O-N 3.34Å; A174-E177 PolarHBondContact O-N 3.23Å; C175-E177 PolarHBondContact O-N 3.07Å; E177-C181 PolarHBondContact O-SG 3.14Å
178	A	98.9	Very high	98.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-39.8	174.8	0	0	0	0	0	112.1	I62 A66 W131 A174 C175 M176 D180 C181	I62-A178 HydrophobicContact CG2-CB 3.84Å; A66-A178 HydrophobicContact CB-CB 3.71Å; W131-A178 HydrophobicContact CZ2-CB 4.25Å; A174-A178 WeakPolarHBondContact O-CB 3.32Å; A174-A178 PolarHBondContact O-N 3.17Å; C175-A178 CarbonylContact O-C 3.38Å; C175-A178 WeakPolarHBondContact O-CB 3.3Å; C175-A178 PolarHBondContact O-N 3.13Å; C175-A178 VanDerWaalsContact O-N 3.17Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 2.59Å; A178-D180 VanDerWaalsContact C-N 3.35Å; A178-C181 VanDerWaalsContact O-CB 3.32Å; A178-C181 WeakPolarHBondContact O-CB 3.28Å; A178-C181 PolarHBondContact O-N 3.25Å
179	F	98.9	Very high	98.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.1	-36.1	178.3	-69.3	-7.8	0	0	0	112.4	V117 V127 W131 R145 E149 F159 C175 M176 C181 L182	V117-F179 HydrophobicContact CG1-CE2 4.35Å; V117-F179 HydrophobicContact CG1-CZ 3.8Å; V117-F179 HydrophobicContact CG2-CE2 4.26Å; V117-F179 HydrophobicContact CG2-CZ 4.47Å; V127-F179 HydrophobicContact CG2-CE1 4.16Å; V127-F179 HydrophobicContact CG2-CZ 3.99Å; W131-F179 AromaticContact CH2-CD1 3.93Å; W131-F179 HydrophobicContact CH2-CD1 3.93Å; W131-F179 AromaticContact CH2-CE1 3.66Å; W131-F179 HydrophobicContact CH2-CE1 3.66Å; W131-F179 AromaticContact CZ2-CD1 3.93Å; W131-F179 HydrophobicContact CZ2-CD1 3.93Å; W131-F179 AromaticContact CZ2-CE1 3.95Å; W131-F179 HydrophobicContact CZ2-CE1 3.95Å; R145-F179 PolarHBondContact NE-O 3.4Å; E149-F179 HydrophobicContact CB-CB 3.95Å; E149-F179 HydrophobicContact CB-CD1 4.25Å; E149-F179 HydrophobicContact CB-CD2 3.81Å; E149-F179 HydrophobicContact CB-CE2 4.36Å; E149-F179 HydrophobicContact CB-CG 3.74Å; E149-F179 HydrophobicContact CG-CD1 3.91Å; E149-F179 HydrophobicContact CG-CD2 3.99Å; E149-F179 HydrophobicContact CG-CE1 4.05Å; E149-F179 HydrophobicContact CG-CE2 4.11Å; E149-F179 HydrophobicContact CG-CG 3.89Å; E149-F179 HydrophobicContact CG-CZ 4.15Å; F159-F179 HydrophobicContact CD1-CE2 4.31Å; F159-F179 AromaticContact CE1-CE2 3.78Å; F159-F179 HydrophobicContact CE1-CE2 3.78Å; F159-F179 AromaticContact CE1-CZ 3.87Å; F159-F179 HydrophobicContact CE1-CZ 3.87Å; F159-F179 HydrophobicContact CZ-CZ 4.24Å; C175-F179 HydrophobicContact CB-CE1 4.49Å; C175-F179 HydrophobicContact CB-CE2 4.38Å; C175-F179 HydrophobicContact CB-CZ 4.19Å; C175-F179 WeakPolarHBondContact O-CB 3.33Å; C175-F179 VanDerWaalsContact O-CD1 3.3Å; C175-F179 WeakPolarHBondContact O-CD1 3.14Å; C175-F179 WeakPolarHBondContact O-CG 3.12Å; C175-F179 PolarHBondContact O-N 3.25Å; M176-F179 HydrophobicContact CE-CD2 3.4Å; M176-F179 VanDerWaalsContact CE-CD2 3.4Å; M176-F179 HydrophobicContact CE-CE2 3.41Å; M176-F179 VanDerWaalsContact CE-CE2 3.41Å; M176-F179 PolarHBondContact O-N 3.43Å; M176-F179 HydrophobicContact SD-CD2 4.33Å; F179-C181 PolarHBondContact O-N 3.02Å; F179-C181 VanDerWaalsContact O-N 3.14Å; F179-L182 HydrophobicContact CB-CD1 4.35Å; F179-L182 HydrophobicContact CD1-CD1 4Å; F179-L182 HydrophobicContact CG-CD1 4.46Å; F179-L182 WeakPolarHBondContact O-CB 3.24Å; F179-L182 PolarHBondContact O-N 2.9Å; F179-L182 VanDerWaalsContact O-N 3.14Å
180	D	98.9	Very high	98.8	Very high	18 Å²	18	25 Å²	25	10%	0.096	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19	172.6	-67.1	-22.3	0	0	0	112.7	R145 R151 M176 A178 F215 K216	R145-D180 IonicContact CZ-OD1 2.66Å; R145-D180 IonicContact NH1-OD1 4Å; R145-D180 IonicContact NH2-OD1 3.91Å; R145-D180 PolarHBondContact NH2-OD1 3.07Å; R151-D180 IonicContact CZ-OD2 2.79Å; R151-D180 IonicContact NH1-OD1 3.86Å; R151-D180 PolarHBondContact NH1-OD1 3.46Å; R151-D180 VanDerWaalsContact NH1-OD1 3.12Å; R151-D180 IonicContact NH1-OD2 3.98Å; R151-D180 PolarHBondContact NH1-OD2 3.46Å; R151-D180 IonicContact NH2-OD2 2.7Å; R151-D180 PolarHBondContact NH2-OD2 3.41Å; M176-D180 PolarHBondContact O-N 3.01Å; M176-D180 VanDerWaalsContact O-N 3.09Å; A178-D180 VanDerWaalsContact C-N 3.35Å; D180-F215 WeakPolarHBondContact O-CA 3.05Å; D180-F215 WeakPolarHBondContact O-CD1 3.36Å; D180-K216 VanDerWaalsContact OD1-C 3.28Å
181	C	98.9	Very high	98.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.02	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-16.2	178.3	-59.2	0	0	0	0	114	L69 R70 E177 A178 F179 R214 F215	L69-C181 HydrophobicContact CB-CB 3.86Å; R70-C181 HydrophobicContact CB-CB 4.22Å; R70-C181 VanDerWaalsContact CZ-SG 3.58Å; R70-C181 PolarHBondContact NH2-SG 3.06Å; E177-C181 PolarHBondContact O-SG 3.14Å; A178-C181 VanDerWaalsContact O-CB 3.32Å; A178-C181 WeakPolarHBondContact O-CB 3.28Å; A178-C181 PolarHBondContact O-N 3.25Å; F179-C181 PolarHBondContact O-N 3.02Å; F179-C181 VanDerWaalsContact O-N 3.14Å; C181-R214 PolarHBondContact O-NE 3.03Å; C181-R214 VanDerWaalsContact O-NE 3.09Å; C181-R214 PolarHBondContact O-NH2 3.36Å; C181-F215 HydrophobicContact CB-CE1 4.45Å
182	L	98.9	Very high	98.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-61.7	130.4	-175.9	-73.5	164.9	0	0	0	111.3	L69 Y116 W131 L143 R145 E149 F179 R214	L69-L182 HydrophobicContact CD1-CD2 3.71Å; L69-L182 HydrophobicContact CD1-CG 4.27Å; L69-L182 HydrophobicContact CD2-CD2 4.09Å; Y116-L182 HydrophobicContact CE2-CD1 4.09Å; Y116-L182 HydrophobicContact CE2-CD2 4.43Å; W131-L182 HydrophobicContact CH2-CD1 4.31Å; W131-L182 HydrophobicContact CH2-CD2 4.22Å; W131-L182 HydrophobicContact CZ2-CD2 4.34Å; L143-L182 HydrophobicContact CB-CD2 3.75Å; R145-L182 HydrophobicContact CB-CB 3.63Å; R145-L182 HydrophobicContact CB-CD1 4.29Å; R145-L182 HydrophobicContact CG-CB 4.01Å; R145-L182 HydrophobicContact CG-CD1 4.12Å; E149-L182 HydrophobicContact CB-CD1 3.96Å; E149-L182 HydrophobicContact CG-CD1 3.73Å; F179-L182 HydrophobicContact CB-CD1 4.35Å; F179-L182 HydrophobicContact CD1-CD1 4Å; F179-L182 HydrophobicContact CG-CD1 4.46Å; F179-L182 WeakPolarHBondContact O-CB 3.24Å; F179-L182 PolarHBondContact O-N 2.9Å; F179-L182 VanDerWaalsContact O-N 3.14Å; L182-R214 VanDerWaalsContact O-CD 3.27Å; L182-R214 WeakPolarHBondContact O-CD 3.41Å; L182-R214 PolarHBondContact O-NE 2.91Å
183	P	98.9	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.			trans	-55	150.5	168.5	-26.1	34.3	0	0	0	112.9	E72 L76 L143 L144 R145	E72-P183 HydrophobicContact CB-CG 4.07Å; L76-P183 HydrophobicContact CD1-CB 4.12Å; L76-P183 HydrophobicContact CD1-CG 4.06Å; L76-P183 HydrophobicContact CD2-CB 4.09Å; L76-P183 HydrophobicContact CD2-CG 3.74Å; L76-P183 HydrophobicContact CG-CB 3.79Å; L76-P183 HydrophobicContact CG-CG 3.92Å; L143-P183 WeakPolarHBondContact O-CD 3.37Å; L144-P183 CarbonylContact C-O 3.44Å; L144-P183 WeakPolarHBondContact CA-O 3.17Å; L144-P183 HydrophobicContact CD2-CB 3.91Å; R145-P183 PolarHBondContact N-O 2.96Å
184	L	98.9	Very high	98.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-94.5	-20.9	-176.9	-59.2	-176.8	0	0	0	113.3	C74 R145 L212 R214 M224 L227 L228	C74-L184 PolarHBondContact O-N 3.28Å; R145-L184 HydrophobicContact CB-CD2 4.01Å; L184-L212 HydrophobicContact CD1-CB 4.39Å; L184-L212 HydrophobicContact CD1-CD1 4Å; L184-R214 HydrophobicContact CD1-CB 3.9Å; L184-R214 HydrophobicContact CD2-CB 4.31Å; L184-R214 HydrophobicContact CG-CB 3.94Å; L184-M224 HydrophobicContact CD1-CB 4.44Å; L184-M224 HydrophobicContact CD1-CG 3.89Å; L184-M224 HydrophobicContact CD2-CE 4.2Å; L184-L227 HydrophobicContact CB-CD1 4.2Å; L184-L227 HydrophobicContact CD1-CD1 4.3Å; L184-L228 HydrophobicContact CD2-CD2 4.45Å
185	A	98.9	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	165.4	-176.4	0	0	0	0	0	111.8	C74 M75 L76 L193 C194 V195 I209	C74-A185 PolarHBondContact O-N 3.27Å; M75-A185 CarbonylContact C-O 3.27Å; M75-A185 WeakPolarHBondContact CA-O 3.47Å; M75-A185 HydrophobicContact CB-CB 4.37Å; M75-A185 HydrophobicContact CG-CB 3.9Å; L76-A185 PolarHBondContact N-O 3.14Å; A185-L193 HydrophobicContact CB-CD1 4.13Å; A185-C194 CarbonylContact C-O 3.52Å; A185-C194 VanDerWaalsContact CA-O 3.24Å; A185-C194 WeakPolarHBondContact CA-O 3.38Å; A185-V195 HydrophobicContact CB-CG1 3.77Å; A185-I209 HydrophobicContact CB-CD1 4.36Å; A185-I209 HydrophobicContact CB-CG2 3.9Å
186	A	98.9	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139	165.8	0	0	0	0	0	110.8	L76 V78 L111 L144 C194	L76-A186 HydrophobicContact CB-CB 3.88Å; L76-A186 CarbonylContact O-C 3.1Å; L76-A186 WeakPolarHBondContact O-CA 3.32Å; V78-A186 HydrophobicContact CG2-CB 4.15Å; L111-A186 HydrophobicContact CD1-CB 4Å; L111-A186 HydrophobicContact CD2-CB 3.91Å; L144-A186 HydrophobicContact CD1-CB 4.4Å; L144-A186 HydrophobicContact CD2-CB 4.36Å; A186-C194 HydrophobicContact CB-CB 4.18Å; A186-C194 PolarHBondContact N-O 3.45Å; A186-C194 WeakPolarHBondContact O-CB 3.45Å; A186-C194 PolarHBondContact O-N 3.49Å
187	L	98.9	Very high	98.8	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.031	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	103.5	165.2	-179.7	60.3	0	0	0	107.8	M75 L76 V78 F192 L206 L271	M75-L187 HydrophobicContact CE-CB 4.09Å; M75-L187 HydrophobicContact CE-CD2 4.38Å; M75-L187 HydrophobicContact SD-CB 4.39Å; L76-L187 PolarHBondContact O-N 3.5Å; V78-L187 PolarHBondContact N-O 3.49Å; L187-F192 WeakPolarHBondContact CA-O 3.42Å; L187-L206 HydrophobicContact CD1-CD1 4.09Å; L187-L206 HydrophobicContact CD2-CD1 4Å; L187-L271 HydrophobicContact CD1-CD2 3.56Å
188	L	98.8	Very high	98.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.4	-178.8	167.5	62.9	0	0	0	110.5	V78 I82 V84 Q190 Q191 F192 I275	V78-L188 HydrophobicContact CG2-CB 3.92Å; V78-L188 HydrophobicContact CG2-CD1 3.88Å; V78-L188 CarbonylContact O-C 3.53Å; V78-L188 WeakPolarHBondContact O-CA 3.41Å; I82-L188 HydrophobicContact CB-CD1 4.34Å; I82-L188 HydrophobicContact CD1-CD1 4.29Å; I82-L188 HydrophobicContact CG2-CD1 3.51Å; I82-L188 HydrophobicContact CG2-CD2 3.73Å; I82-L188 HydrophobicContact CG2-CG 4.29Å; V84-L188 HydrophobicContact CG2-CD2 3.97Å; L188-Q190 PolarHBondContact O-N 3.08Å; L188-Q190 VanDerWaalsContact O-N 3.08Å; L188-Q191 PolarHBondContact O-N 2.87Å; L188-F192 HydrophobicContact CB-CB 4.17Å; L188-F192 HydrophobicContact CB-CD2 4.44Å; L188-F192 HydrophobicContact CD2-CD2 4.11Å; L188-F192 HydrophobicContact CG-CD2 4.02Å; L188-F192 PolarHBondContact N-O 3.43Å; L188-F192 PolarHBondContact O-N 2.95Å; L188-I275 HydrophobicContact CD2-CD1 4.43Å
189	N	98.1	Very high	98.7	Very high	47 Å²	47	12.5 Å²	12.5	25%	0.251	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	28	174.8	-156.1	54.4	0	0	0	113.6	V78 Q191 Y321	V78-N189 PolarHBondContact O-N 3.35Å; N189-Q191 PolarHBondContact ND2-OE1 2.79Å; N189-Q191 WeakPolarHBondContact O-CG 3.47Å; N189-Q191 PolarHBondContact O-N 2.81Å; N189-Y321 HydrophobicContact CB-CE1 3.99Å; N189-Y321 PolarHBondContact ND2-OH 3.42Å
190	Q	98.2	Very high	98.7	Very high	120 Å²	120	12.6 Å²	12.6	56%	0.561	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	20.2	-172.1	-51.4	-62.3	77	0	0	114.3	L188	L188-Q190 PolarHBondContact O-N 3.08Å; L188-Q190 VanDerWaalsContact O-N 3.08Å
191	Q	98.1	Very high	98.7	Very high	63 Å²	63	14.1 Å²	14.1	29%	0.294	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-31.3	-171.1	-77.3	175.6	-30.2	0	0	112.8	L188 N189 L272 Y321	L188-Q191 PolarHBondContact O-N 2.87Å; N189-Q191 PolarHBondContact ND2-OE1 2.79Å; N189-Q191 WeakPolarHBondContact O-CG 3.47Å; N189-Q191 PolarHBondContact O-N 2.81Å; Q191-L272 HydrophobicContact CB-CB 4.33Å; Q191-L272 WeakPolarHBondContact O-CB 3.34Å; Q191-L272 PolarHBondContact O-N 3.31Å; Q191-Y321 PolarHBondContact OE1-OH 3.03Å
192	F	98.8	Very high	98.7	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.8	-173.6	-50.6	-77.8	0	0	0	110.5	L187 L188 L272 S273 I275 F296 Y321 M326	L187-F192 WeakPolarHBondContact CA-O 3.42Å; L188-F192 HydrophobicContact CB-CB 4.17Å; L188-F192 HydrophobicContact CB-CD2 4.44Å; L188-F192 HydrophobicContact CD2-CD2 4.11Å; L188-F192 HydrophobicContact CG-CD2 4.02Å; L188-F192 PolarHBondContact N-O 3.43Å; L188-F192 PolarHBondContact O-N 2.95Å; F192-L272 HydrophobicContact CE1-CB 4.1Å; F192-L272 HydrophobicContact CE1-CD2 3.81Å; F192-L272 HydrophobicContact CE1-CG 4.09Å; F192-L272 HydrophobicContact CZ-CD2 3.79Å; F192-S273 WeakPolarHBondContact CA-O 3.42Å; F192-I275 HydrophobicContact CB-CD1 3.86Å; F192-I275 HydrophobicContact CB-CG1 4.23Å; F192-I275 HydrophobicContact CD1-CD1 3.96Å; F192-I275 HydrophobicContact CD1-CG1 4.29Å; F192-I275 HydrophobicContact CD2-CD1 4.5Å; F192-I275 HydrophobicContact CG-CD1 3.84Å; F192-I275 HydrophobicContact CG-CG1 4.46Å; F192-F296 HydrophobicContact CE1-CE1 4.08Å; F192-Y321 HydrophobicContact CE2-CD1 4.36Å; F192-Y321 AromaticContact CE2-CE1 3.94Å; F192-Y321 HydrophobicContact CE2-CE1 3.94Å; F192-Y321 HydrophobicContact CE2-CE2 4.44Å; F192-Y321 AromaticContact CE2-CZ 3.98Å; F192-M326 HydrophobicContact CE1-CE 3.69Å; F192-M326 HydrophobicContact CE1-SD 4.17Å; F192-M326 HydrophobicContact CE2-CE 4.4Å; F192-M326 HydrophobicContact CZ-CE 3.37Å; F192-M326 HydrophobicContact CZ-SD 4.06Å
193	L	98.9	Very high	98.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.9	161.5	174.9	63.3	0	0	0	107.8	M75 A185 V195 L199 L206 I209 F265 L271 S273 V274 I275	M75-L193 HydrophobicContact SD-CD1 4.5Å; A185-L193 HydrophobicContact CB-CD1 4.13Å; L193-V195 HydrophobicContact CD1-CG1 3.94Å; L193-V195 HydrophobicContact CD2-CG1 4.29Å; L193-V195 HydrophobicContact CG-CG1 3.95Å; L193-L199 HydrophobicContact CD2-CD2 4.26Å; L193-L206 HydrophobicContact CD1-CD2 4.07Å; L193-I209 HydrophobicContact CD1-CD1 3.92Å; L193-I209 HydrophobicContact CD2-CD1 4.31Å; L193-F265 HydrophobicContact CD2-CE1 3.52Å; L193-F265 HydrophobicContact CD2-CZ 3.8Å; L193-L271 HydrophobicContact CB-CD1 3.86Å; L193-S273 PolarHBondContact N-O 3.34Å; L193-V274 CarbonylContact O-C 3.21Å; L193-V274 WeakPolarHBondContact O-CA 3.45Å; L193-I275 PolarHBondContact O-N 3.42Å
194	C	98.9	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.8	175.2	-58.3	0	0	0	0	109.6	L111 L113 A185 A186 I275	L111-C194 HydrophobicContact CD2-CB 3.68Å; L113-C194 HydrophobicContact CD2-CB 3.88Å; A185-C194 CarbonylContact C-O 3.52Å; A185-C194 VanDerWaalsContact CA-O 3.24Å; A185-C194 WeakPolarHBondContact CA-O 3.38Å; A186-C194 HydrophobicContact CB-CB 4.18Å; A186-C194 PolarHBondContact N-O 3.45Å; A186-C194 WeakPolarHBondContact O-CB 3.45Å; A186-C194 PolarHBondContact O-N 3.49Å; C194-I275 VanDerWaalsContact CA-O 3.27Å; C194-I275 WeakPolarHBondContact CA-O 3.32Å
195	V	98.9	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	168.1	-178.9	-68.3	0	0	0	0	109.3	A185 L193 L227 V274 I275 R276	A185-V195 HydrophobicContact CB-CG1 3.77Å; L193-V195 HydrophobicContact CD1-CG1 3.94Å; L193-V195 HydrophobicContact CD2-CG1 4.29Å; L193-V195 HydrophobicContact CG-CG1 3.95Å; V195-L227 HydrophobicContact CG1-CD2 3.85Å; V195-V274 HydrophobicContact CG2-CG1 4.16Å; V195-I275 PolarHBondContact N-O 3.48Å; V195-I275 VanDerWaalsContact N-O 3.12Å; V195-R276 HydrophobicContact CG2-CB 4.25Å; V195-R276 VanDerWaalsContact O-CA 3.23Å; V195-R276 WeakPolarHBondContact O-CA 3.42Å
196	H	98.9	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-76.7	-62.9	174.6	-172.9	60.8	0	0	0	111.9	D87 L113 D115 G146 N147 L228 R276 A277 H278	D87-H196 IonicContact OD1-CE1 2.91Å; D87-H196 PolarHBondContact OD1-CE1 2.87Å; D87-H196 VanDerWaalsContact OD1-CE1 3.3Å; D87-H196 IonicContact OD1-ND1 3.84Å; L113-H196 VanDerWaalsContact O-CB 3.31Å; L113-H196 WeakPolarHBondContact O-CB 3.31Å; L113-H196 PolarHBondContact O-ND1 2.74Å; D115-H196 IonicContact OD1-CE1 2.74Å; D115-H196 IonicContact OD1-NE2 3.82Å; D115-H196 PolarHBondContact OD1-NE2 3.12Å; D115-H196 IonicContact OD2-CE1 3.32Å; D115-H196 PolarHBondContact OD2-CE1 2.98Å; D115-H196 IonicContact OD2-NE2 3.56Å; D115-H196 PolarHBondContact OD2-NE2 2.85Å; G146-H196 WeakPolarHBondContact CA-CD2 3.44Å; G146-H196 VanDerWaalsContact CA-CG 3.43Å; N147-H196 PolarHBondContact N-CD2 3.11Å; N147-H196 VanDerWaalsContact N-CD2 3.29Å; N147-H196 PolarHBondContact OD1-CD2 3.18Å; N147-H196 PolarHBondContact OD1-NE2 3.16Å; H196-L228 HydrophobicContact CB-CD2 4.31Å; H196-L228 PolarHBondContact CD2-O 3.21Å; H196-R276 PolarHBondContact O-NE 2.62Å; H196-R276 VanDerWaalsContact O-NE 3.08Å; H196-A277 PolarHBondContact O-N 2.95Å; H196-H278 AromaticContact CD2-ND1 3.93Å; H196-H278 AromaticContact NE2-CG 3.81Å; H196-H278 AromaticContact NE2-ND1 3.49Å; H196-H278 PolarHBondContact NE2-ND1 2.85Å
197	G	98.8	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-80.3	-94.4	179	0	0	0	0	0	110.9	L227 S230 R276	G197-L227 VanDerWaalsContact CA-O 3.28Å; G197-L227 WeakPolarHBondContact CA-O 3.43Å; G197-L227 PolarHBondContact N-O 2.75Å; G197-S230 CarbonylContact C-O 3.6Å; G197-S230 WeakPolarHBondContact CA-O 3.41Å; G197-R276 WeakPolarHBondContact O-CB 3.47Å; G197-R276 WeakPolarHBondContact O-CG 3.48Å; G197-R276 VanDerWaalsContact O-CZ 3.25Å; G197-R276 PolarHBondContact O-NE 3.46Å; G197-R276 PolarHBondContact O-NH2 2.84Å
198	G	98.3	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.			trans	-176.6	-132.8	-178.5	0	0	0	0	0	114.1	L227 S230	G198-L227 PolarHBondContact N-O 3.33Å; G198-S230 VanDerWaalsContact CA-OG 3.24Å; G198-S230 WeakPolarHBondContact CA-OG 3.28Å; G198-S230 PolarHBondContact N-OG 3.17Å
199	L	98.6	Very high	98.4	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.171	C	C	.	.			trans	-89.8	162.4	-175.7	-59.4	-173.5	0	0	0	112.3	L193 S230 F245 Y257 V262 F265 V274	L193-L199 HydrophobicContact CD2-CD2 4.26Å; L199-S230 PolarHBondContact N-OG 3.34Å; L199-S230 VanDerWaalsContact N-OG 3.07Å; L199-S230 VanDerWaalsContact O-CB 3.27Å; L199-S230 WeakPolarHBondContact O-CB 3.24Å; L199-S230 PolarHBondContact O-OG 3.42Å; L199-F245 HydrophobicContact CB-CE1 4Å; L199-F245 HydrophobicContact CB-CZ 4.2Å; L199-Y257 HydrophobicContact CB-CD1 4.33Å; L199-Y257 HydrophobicContact CB-CG 4.29Å; L199-V262 HydrophobicContact CD1-CB 4.26Å; L199-V262 HydrophobicContact CD1-CG2 3.72Å; L199-F265 HydrophobicContact CD1-CB 3.94Å; L199-F265 HydrophobicContact CD1-CG 4.22Å; L199-F265 HydrophobicContact CD2-CD1 3.99Å; L199-F265 HydrophobicContact CD2-CD2 4.37Å; L199-F265 HydrophobicContact CD2-CE1 4.22Å; L199-F265 HydrophobicContact CD2-CG 4.07Å; L199-V274 HydrophobicContact CD2-CG2 4.41Å
200	S	98.7	Very high	98.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	18%	0.176	C	C	.	.			trans	-126.7	144.5	173.5	178.2	0	0	0	0	109.6	E202 I203 D226	S200-E202 PolarHBondContact O-N 2.68Å; S200-E202 PolarHBondContact OG-N 2.96Å; S200-E202 VanDerWaalsContact OG-N 3.11Å; S200-I203 PolarHBondContact O-N 3.47Å; S200-D226 VanDerWaalsContact CB-CB 3.47Å; S200-D226 WeakPolarHBondContact CB-OD2 3.38Å; S200-D226 PolarHBondContact OG-OD2 2.9Å
201	P	98.3	Very high	98.5	Very high	50 Å²	50	36 Å²	36	33%	0.325	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.9	168.4	26.5	-34.7	0	0	0	113	F245 Y255	P201-F245 HydrophobicContact CB-CD2 3.84Å; P201-F245 HydrophobicContact CB-CE2 4.06Å; P201-F245 HydrophobicContact CB-CG 4.13Å; P201-Y255 HydrophobicContact CG-CD2 3.87Å; P201-Y255 HydrophobicContact CG-CE2 3.57Å; P201-Y255 HydrophobicContact CG-CG 4.48Å
202	E	98.4	Very high	98.5	Very high	112 Å²	112	34.6 Å²	34.6	52%	0.523	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-3.3	179.5	-63.4	-177.7	-120.1	0	0	113.4	S200 G222 P223	S200-E202 PolarHBondContact O-N 2.68Å; S200-E202 PolarHBondContact OG-N 2.96Å; S200-E202 VanDerWaalsContact OG-N 3.11Å; E202-G222 WeakPolarHBondContact OE1-CA 3.12Å; E202-P223 HydrophobicContact CB-CB 4.27Å; E202-P223 HydrophobicContact CB-CG 4.49Å
203	I	98.5	Very high	98.5	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.036	20%	0.198	C	C	.	.			trans	-114.6	103.4	179	-64.1	169.1	0	0	0	108.5	S200 D208 I209 P223 L227 F265	S200-I203 PolarHBondContact O-N 3.47Å; I203-D208 HydrophobicContact CG1-CB 4.41Å; I203-D208 HydrophobicContact CG2-CB 4.25Å; I203-I209 HydrophobicContact CD1-CG1 4.2Å; I203-I209 HydrophobicContact CG2-CD1 4.19Å; I203-I209 HydrophobicContact CG2-CG1 3.73Å; I203-P223 HydrophobicContact CD1-CB 3.73Å; I203-P223 HydrophobicContact CG1-CB 3.74Å; I203-L227 HydrophobicContact CD1-CD1 3.74Å; I203-L227 HydrophobicContact CD1-CD2 3.76Å; I203-L227 HydrophobicContact CD1-CG 3.56Å; I203-F265 HydrophobicContact CG2-CE2 4.08Å
204	T	97.1	Very high	98.4	Very high	91 Å²	91	39.3 Å²	39.3	56%	0.558	20%	0.2	S	C	*	.			trans	-103.2	-25.5	-179.4	62.4	0	0	0	0	112	D208 N269	T204-D208 PolarHBondContact N-OD2 2.77Å; T204-D208 PolarHBondContact OG1-OD2 3Å; T204-N269 PolarHBondContact O-ND2 3.5Å
205	C	97.6	Very high	98.4	Very high	40 Å²	40	43.7 Å²	43.7	27%	0.27	22%	0.219	S	C	.	.	S	Bend	trans	-137.8	163.1	177.3	72.1	0	0	0	0	113.5	D207 D208 N269	C205-D207 PolarHBondContact O-N 3.32Å; C205-D208 PolarHBondContact N-OD2 3.12Å; C205-D208 WeakPolarHBondContact O-CB 3.48Å; C205-D208 PolarHBondContact O-N 3.15Å; C205-D208 VanDerWaalsContact SG-CG 3.52Å; C205-D208 PolarHBondContact SG-OD2 2.86Å; C205-D208 VanDerWaalsContact SG-OD2 3.33Å; C205-N269 WeakPolarHBondContact CA-OD1 3.49Å
206	L	98.6	Very high	98.4	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-28.4	178.9	-64.8	179.5	0	0	0	113.6	M75 L187 L193 D208 I209 R210 F265 N269 L271	M75-L206 HydrophobicContact CE-CB 4.05Å; M75-L206 HydrophobicContact CE-CD1 4.47Å; M75-L206 HydrophobicContact SD-CB 4.27Å; M75-L206 HydrophobicContact SD-CD2 3.94Å; L187-L206 HydrophobicContact CD1-CD1 4.09Å; L187-L206 HydrophobicContact CD2-CD1 4Å; L193-L206 HydrophobicContact CD1-CD2 4.07Å; L206-D208 PolarHBondContact O-N 3.14Å; L206-I209 HydrophobicContact CD2-CD1 4.47Å; L206-I209 PolarHBondContact O-N 3.34Å; L206-R210 PolarHBondContact O-N 2.85Å; L206-F265 HydrophobicContact CD2-CZ 4.22Å; L206-N269 HydrophobicContact CG-CB 4.27Å; L206-N269 PolarHBondContact N-OD1 3.23Å; L206-L271 HydrophobicContact CD1-CD2 4.49Å; L206-L271 HydrophobicContact CD2-CD1 4.21Å
207	D	98.5	Very high	98.4	Very high	80 Å²	80	50.2 Å²	50.2	43%	0.428	25%	0.248	S	C	.	.	H	α-helix	trans	-67.7	-24.8	176.5	-78.4	-23.1	0	0	0	113	C205 I209 R210 K211	C205-D207 PolarHBondContact O-N 3.32Å; D207-I209 VanDerWaalsContact C-N 3.32Å; D207-R210 PolarHBondContact O-N 2.9Å; D207-R210 WeakPolarHBondContact OD1-CD 3.1Å; D207-R210 IonicContact OD1-CZ 2.65Å; D207-R210 IonicContact OD1-NE 2.76Å; D207-R210 IonicContact OD1-NH1 3.2Å; D207-R210 PolarHBondContact OD1-NH1 3.01Å; D207-K211 WeakPolarHBondContact O-CD 3.46Å; D207-K211 VanDerWaalsContact O-CG 3.26Å; D207-K211 WeakPolarHBondContact O-CG 2.97Å; D207-K211 PolarHBondContact O-N 2.83Å
208	D	98.6	Very high	98.3	Very high	39 Å²	39	50.9 Å²	50.9	21%	0.209	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-40.2	176.6	-59.1	-32.1	0	0	0	110.1	I203 T204 C205 L206 K211	I203-D208 HydrophobicContact CG1-CB 4.41Å; I203-D208 HydrophobicContact CG2-CB 4.25Å; T204-D208 PolarHBondContact N-OD2 2.77Å; T204-D208 PolarHBondContact OG1-OD2 3Å; C205-D208 PolarHBondContact N-OD2 3.12Å; C205-D208 WeakPolarHBondContact O-CB 3.48Å; C205-D208 PolarHBondContact O-N 3.15Å; C205-D208 VanDerWaalsContact SG-CG 3.52Å; C205-D208 PolarHBondContact SG-OD2 2.86Å; C205-D208 VanDerWaalsContact SG-OD2 3.33Å; L206-D208 PolarHBondContact O-N 3.14Å; D208-K211 PolarHBondContact O-N 2.72Å; D208-K211 IonicContact OD1-NZ 3.63Å
209	I	98.8	Very high	98.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-44.8	174.3	-53.1	176.5	0	0	0	110.7	C74 M75 A185 L193 I203 L206 D207 K211 L212 L227	C74-I209 PolarHBondContact SG-O 3.12Å; C74-I209 VanDerWaalsContact SG-O 3.38Å; M75-I209 HydrophobicContact CB-CG2 4.06Å; M75-I209 HydrophobicContact SD-CD1 4.38Å; A185-I209 HydrophobicContact CB-CD1 4.36Å; A185-I209 HydrophobicContact CB-CG2 3.9Å; L193-I209 HydrophobicContact CD1-CD1 3.92Å; L193-I209 HydrophobicContact CD2-CD1 4.31Å; I203-I209 HydrophobicContact CD1-CG1 4.2Å; I203-I209 HydrophobicContact CG2-CD1 4.19Å; I203-I209 HydrophobicContact CG2-CG1 3.73Å; L206-I209 HydrophobicContact CD2-CD1 4.47Å; L206-I209 PolarHBondContact O-N 3.34Å; D207-I209 VanDerWaalsContact C-N 3.32Å; I209-K211 PolarHBondContact O-N 3.22Å; I209-L212 WeakPolarHBondContact O-CB 3.47Å; I209-L212 PolarHBondContact O-N 2.82Å; I209-L212 VanDerWaalsContact O-N 3.14Å; I209-L227 HydrophobicContact CD1-CD2 4.27Å; I209-L227 HydrophobicContact CG1-CD1 4.42Å; I209-L227 HydrophobicContact CG2-CD1 4.11Å
210	R	98.5	Very high	98.1	Very high	96 Å²	96	54 Å²	54	36%	0.362	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-29.2	-178.9	-68.2	178.2	179.9	117.8	-0.5	112.9	M75 E77 L206 D207	M75-R210 HydrophobicContact CB-CG 4.23Å; M75-R210 HydrophobicContact CE-CG 4.06Å; M75-R210 VanDerWaalsContact CE-CZ 3.43Å; M75-R210 VanDerWaalsContact CE-NH2 3.31Å; E77-R210 IonicContact OE1-NH2 3.44Å; L206-R210 PolarHBondContact O-N 2.85Å; D207-R210 PolarHBondContact O-N 2.9Å; D207-R210 WeakPolarHBondContact OD1-CD 3.1Å; D207-R210 IonicContact OD1-CZ 2.65Å; D207-R210 IonicContact OD1-NE 2.76Å; D207-R210 IonicContact OD1-NH1 3.2Å; D207-R210 PolarHBondContact OD1-NH1 3.01Å
211	K	98	Very high	98	Very high	153 Å²	153	61.7 Å²	61.7	67%	0.665	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.4	-178.8	-68.6	165.1	-166	160.3	0	113.9	D207 D208 I209 D213	D207-K211 WeakPolarHBondContact O-CD 3.46Å; D207-K211 VanDerWaalsContact O-CG 3.26Å; D207-K211 WeakPolarHBondContact O-CG 2.97Å; D207-K211 PolarHBondContact O-N 2.83Å; D208-K211 PolarHBondContact O-N 2.72Å; D208-K211 IonicContact OD1-NZ 3.63Å; I209-K211 PolarHBondContact O-N 3.22Å; K211-D213 PolarHBondContact O-N 2.76Å
212	L	98.4	Very high	98	Very high	35 Å²	35	59.7 Å²	59.7	18%	0.183	30%	0.297	C	S	.	.			trans	-64.9	126.7	-179.5	-64.5	178.2	0	0	0	110.8	L184 I209 R214 P223 L227	L184-L212 HydrophobicContact CD1-CB 4.39Å; L184-L212 HydrophobicContact CD1-CD1 4Å; I209-L212 WeakPolarHBondContact O-CB 3.47Å; I209-L212 PolarHBondContact O-N 2.82Å; I209-L212 VanDerWaalsContact O-N 3.14Å; L212-R214 PolarHBondContact O-N 2.8Å; L212-P223 HydrophobicContact CD1-CB 4.31Å; L212-P223 HydrophobicContact CD2-CB 3.99Å; L212-P223 HydrophobicContact CD2-CG 3.6Å; L212-L227 HydrophobicContact CD1-CD1 3.65Å
213	D	98.3	Very high	98	Very high	89 Å²	89	55.6 Å²	55.6	48%	0.476	28%	0.28	S	S	.	.			trans	-74.9	106.5	163.4	164.8	41.2	0	0	0	108.8	K211 F215 K216	K211-D213 PolarHBondContact O-N 2.76Å; D213-F215 PolarHBondContact OD1-N 3.08Å; D213-K216 WeakPolarHBondContact O-CE 3.4Å; D213-K216 PolarHBondContact O-NZ 3.24Å; D213-K216 IonicContact OD2-NZ 3.51Å; D213-K216 PolarHBondContact OD2-NZ 3.07Å
214	R	98.5	Very high	98	Very high	11 Å²	11	55.6 Å²	55.6	4%	0.042	28%	0.28	C	S	.	.			trans	-92.9	-11.9	-175.1	77.7	-176.4	-169.3	-91.8	5	114.7	L69 E72 R145 C181 L182 L184 L212 K216	L69-R214 PolarHBondContact O-NH2 2.86Å; E72-R214 PolarHBondContact O-NH1 2.9Å; E72-R214 PolarHBondContact O-NH2 3Å; R145-R214 PolarHBondContact NH1-O 3.31Å; C181-R214 PolarHBondContact O-NE 3.03Å; C181-R214 VanDerWaalsContact O-NE 3.09Å; C181-R214 PolarHBondContact O-NH2 3.36Å; L182-R214 VanDerWaalsContact O-CD 3.27Å; L182-R214 WeakPolarHBondContact O-CD 3.41Å; L182-R214 PolarHBondContact O-NE 2.91Å; L184-R214 HydrophobicContact CD1-CB 3.9Å; L184-R214 HydrophobicContact CD2-CB 4.31Å; L184-R214 HydrophobicContact CG-CB 3.94Å; L212-R214 PolarHBondContact O-N 2.8Å; R214-K216 PolarHBondContact O-N 3.03Å
215	F	98.6	Very high	98.1	Very high	93 Å²	93	51.2 Å²	51.2	41%	0.408	25%	0.253	S	S	.	.	S	Bend	trans	-80.8	57.3	-169.2	-60	-68.7	0	0	0	112.5	R70 D180 C181 D213	R70-F215 HydrophobicContact CB-CE1 4.48Å; R70-F215 HydrophobicContact CG-CE1 3.97Å; R70-F215 HydrophobicContact CG-CZ 4.3Å; D180-F215 WeakPolarHBondContact O-CA 3.05Å; D180-F215 WeakPolarHBondContact O-CD1 3.36Å; C181-F215 HydrophobicContact CB-CE1 4.45Å; D213-F215 PolarHBondContact OD1-N 3.08Å
216	K	98.4	Very high	98.1	Very high	83 Å²	83	49.4 Å²	49.4	36%	0.361	24%	0.241	S	C	.	.	S	Bend	trans	-160.2	166.7	-176	56.5	-176.4	169.4	-125.1	0	110.6	R145 D180 D213 R214 M224	R145-K216 PolarHBondContact NH1-O 2.81Å; D180-K216 VanDerWaalsContact OD1-C 3.28Å; D213-K216 WeakPolarHBondContact O-CE 3.4Å; D213-K216 PolarHBondContact O-NZ 3.24Å; D213-K216 IonicContact OD2-NZ 3.51Å; D213-K216 PolarHBondContact OD2-NZ 3.07Å; R214-K216 PolarHBondContact O-N 3.03Å; K216-M224 HydrophobicContact CG-SD 4.26Å
217	E	98.4	Very high	98.1	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.248	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-56.3	135	164.1	-171.7	68.9	-174.2	0	0	110	C150 R151 H152	C150-E217 VanDerWaalsContact CB-OE1 3.26Å; C150-E217 WeakPolarHBondContact CB-OE1 3.28Å; R151-E217 WeakPolarHBondContact CB-OE2 3.4Å; R151-E217 WeakPolarHBondContact CD-OE2 3.49Å; R151-E217 WeakPolarHBondContact CG-OE2 3.42Å; R151-E217 IonicContact CZ-OE2 2.81Å; R151-E217 PolarHBondContact N-OE1 2.79Å; R151-E217 PolarHBondContact N-OE2 2.7Å; R151-E217 IonicContact NH1-OE2 3.54Å; R151-E217 PolarHBondContact NH1-OE2 3Å; H152-E217 PolarHBondContact N-OE1 3.32Å
218	P	98.3	Very high	98.2	Very high	15 Å²	15	44.9 Å²	44.9	10%	0.097	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-56.7	129.3	175.7	-22.7	33.9	0	0	0	110.7	C150 M224 L228	C150-P218 HydrophobicContact CB-CG 3.87Å; P218-M224 HydrophobicContact CB-CE 4.27Å; P218-M224 HydrophobicContact CG-CE 4.08Å; P218-L228 HydrophobicContact CB-CD1 4.04Å; P218-L228 HydrophobicContact CG-CD1 3.86Å
219	P	97.3	Very high	98.2	Very high	46 Å²	46	43.3 Å²	43.3	30%	0.299	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-66.1	161.7	174.9	29.4	-34.8	0	0	0	110.7	F221 M224 C225	P219-F221 WeakPolarHBondContact CB-O 3.27Å; P219-F221 VanDerWaalsContact CG-O 3.28Å; P219-F221 WeakPolarHBondContact CG-O 3.39Å; P219-F221 PolarHBondContact O-N 2.91Å; P219-M224 HydrophobicContact CG-CB 4.32Å; P219-C225 WeakPolarHBondContact O-CB 3.09Å
220	A	93.8	Very high	98.2	Very high	22 Å²	22	43.3 Å²	43.3	18%	0.182	21%	0.208	C	C	.	.	S	Bend	trans	-70.5	-15.9	176.4	0	0	0	0	0	113.9	C225 R483	A220-C225 PolarHBondContact O-SG 3.29Å; A220-C225 VanDerWaalsContact O-SG 3.35Å; A220-R483 VanDerWaalsContact CB-CZ 3.41Å
221	F	96.9	Very high	98.2	Very high	164 Å²	164	38.8 Å²	38.8	72%	0.719	19%	0.191	S	C	*	.	S	Bend	trans	-149.8	168.5	-179.3	59.2	-94.6	0	0	0	110	P219	P219-F221 WeakPolarHBondContact CB-O 3.27Å; P219-F221 VanDerWaalsContact CG-O 3.28Å; P219-F221 WeakPolarHBondContact CG-O 3.39Å; P219-F221 PolarHBondContact O-N 2.91Å
222	G	98.2	Very high	98.2	Very high	8 Å²	8	31.7 Å²	31.7	8%	0.082	16%	0.16	C	C	.	.	S	Bend	trans	94.1	-179.2	178.4	0	0	0	0	0	113.2	E202 M224 C225 D226	E202-G222 WeakPolarHBondContact OE1-CA 3.12Å; G222-M224 VanDerWaalsContact C-N 3.32Å; G222-M224 PolarHBondContact O-N 2.84Å; G222-M224 VanDerWaalsContact O-N 3.16Å; G222-C225 WeakPolarHBondContact O-CA 3.4Å; G222-C225 VanDerWaalsContact O-CB 3.28Å; G222-C225 WeakPolarHBondContact O-CB 3.3Å; G222-C225 PolarHBondContact O-N 2.88Å; G222-D226 PolarHBondContact O-N 3.3Å
223	P	98.5	Very high	98.1	Very high	27 Å²	27	30.5 Å²	30.5	18%	0.175	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-35.1	-163.5	20.9	-34	0	0	0	114	E202 I203 L212 D226 L227	E202-P223 HydrophobicContact CB-CB 4.27Å; E202-P223 HydrophobicContact CB-CG 4.49Å; I203-P223 HydrophobicContact CD1-CB 3.73Å; I203-P223 HydrophobicContact CG1-CB 3.74Å; L212-P223 HydrophobicContact CD1-CB 4.31Å; L212-P223 HydrophobicContact CD2-CB 3.99Å; L212-P223 HydrophobicContact CD2-CG 3.6Å; P223-D226 PolarHBondContact O-N 3.23Å; P223-L227 WeakPolarHBondContact O-CG 3.43Å; P223-L227 PolarHBondContact O-N 2.86Å; P223-L227 VanDerWaalsContact O-N 3.08Å
224	M	98.8	Very high	97.9	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-69.7	-36.9	175.4	-179	179	179.6	0	0	112.3	L184 K216 P218 P219 G222 L228	L184-M224 HydrophobicContact CD1-CB 4.44Å; L184-M224 HydrophobicContact CD1-CG 3.89Å; L184-M224 HydrophobicContact CD2-CE 4.2Å; K216-M224 HydrophobicContact CG-SD 4.26Å; P218-M224 HydrophobicContact CB-CE 4.27Å; P218-M224 HydrophobicContact CG-CE 4.08Å; P219-M224 HydrophobicContact CG-CB 4.32Å; G222-M224 VanDerWaalsContact C-N 3.32Å; G222-M224 PolarHBondContact O-N 2.84Å; G222-M224 VanDerWaalsContact O-N 3.16Å; M224-L228 WeakPolarHBondContact O-CG 3.23Å
225	C	98.7	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-48.2	173.8	-176	0	0	0	0	109.5	P219 A220 G222 L227 L228 W229	P219-C225 WeakPolarHBondContact O-CB 3.09Å; A220-C225 PolarHBondContact O-SG 3.29Å; A220-C225 VanDerWaalsContact O-SG 3.35Å; G222-C225 WeakPolarHBondContact O-CA 3.4Å; G222-C225 VanDerWaalsContact O-CB 3.28Å; G222-C225 WeakPolarHBondContact O-CB 3.3Å; G222-C225 PolarHBondContact O-N 2.88Å; C225-L227 PolarHBondContact O-N 2.76Å; C225-L228 CarbonylContact O-C 3.53Å; C225-L228 PolarHBondContact O-N 2.69Å; C225-W229 WeakPolarHBondContact O-CB 3.29Å; C225-W229 PolarHBondContact O-N 3.26Å
226	D	98.8	Very high	97.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-65.4	-39.4	-174.5	-61.1	-25.6	0	0	0	113.7	S200 G222 P223 L228 W229 S230 S254	S200-D226 VanDerWaalsContact CB-CB 3.47Å; S200-D226 WeakPolarHBondContact CB-OD2 3.38Å; S200-D226 PolarHBondContact OG-OD2 2.9Å; G222-D226 PolarHBondContact O-N 3.3Å; P223-D226 PolarHBondContact O-N 3.23Å; D226-L228 PolarHBondContact O-N 3.34Å; D226-L228 VanDerWaalsContact O-N 3.12Å; D226-W229 PolarHBondContact O-N 2.88Å; D226-S230 VanDerWaalsContact O-CB 3.29Å; D226-S230 WeakPolarHBondContact O-CB 3.48Å; D226-S230 PolarHBondContact O-N 3.07Å; D226-S230 PolarHBondContact O-OG 3.01Å; D226-S254 VanDerWaalsContact CA-OG 3.29Å; D226-S254 WeakPolarHBondContact CA-OG 3.29Å; D226-S254 WeakPolarHBondContact OD1-CA 3.47Å; D226-S254 VanDerWaalsContact OD1-CB 3.31Å; D226-S254 WeakPolarHBondContact OD1-CB 3.34Å; D226-S254 PolarHBondContact OD1-OG 3.48Å
227	L	98.9	Very high	97.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-26	173.5	-75.4	173.1	0	0	0	113.1	L184 V195 G197 G198 I203 I209 L212 P223 C225	L184-L227 HydrophobicContact CB-CD1 4.2Å; L184-L227 HydrophobicContact CD1-CD1 4.3Å; V195-L227 HydrophobicContact CG1-CD2 3.85Å; G197-L227 VanDerWaalsContact CA-O 3.28Å; G197-L227 WeakPolarHBondContact CA-O 3.43Å; G197-L227 PolarHBondContact N-O 2.75Å; G198-L227 PolarHBondContact N-O 3.33Å; I203-L227 HydrophobicContact CD1-CD1 3.74Å; I203-L227 HydrophobicContact CD1-CD2 3.76Å; I203-L227 HydrophobicContact CD1-CG 3.56Å; I209-L227 HydrophobicContact CD1-CD2 4.27Å; I209-L227 HydrophobicContact CG1-CD1 4.42Å; I209-L227 HydrophobicContact CG2-CD1 4.11Å; L212-L227 HydrophobicContact CD1-CD1 3.65Å; P223-L227 WeakPolarHBondContact O-CG 3.43Å; P223-L227 PolarHBondContact O-N 2.86Å; P223-L227 VanDerWaalsContact O-N 3.08Å; C225-L227 PolarHBondContact O-N 2.76Å
228	L	98.8	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-99.9	-25.4	-177.8	-56.9	179.6	0	0	0	113.1	R145 N147 L184 H196 P218 M224 C225 D226	R145-L228 HydrophobicContact CB-CD2 4.26Å; R145-L228 WeakPolarHBondContact O-CD2 3.3Å; N147-L228 HydrophobicContact CB-CB 4.19Å; L184-L228 HydrophobicContact CD2-CD2 4.45Å; H196-L228 HydrophobicContact CB-CD2 4.31Å; H196-L228 PolarHBondContact CD2-O 3.21Å; P218-L228 HydrophobicContact CB-CD1 4.04Å; P218-L228 HydrophobicContact CG-CD1 3.86Å; M224-L228 WeakPolarHBondContact O-CG 3.23Å; C225-L228 CarbonylContact O-C 3.53Å; C225-L228 PolarHBondContact O-N 2.69Å; D226-L228 PolarHBondContact O-N 3.34Å; D226-L228 VanDerWaalsContact O-N 3.12Å
229	W	98.8	Very high	97	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-123.3	-13.1	-167.4	-75.7	96.2	0	0	0	115.8	N147 L153 C225 D226 R251 M480	N147-W229 HydrophobicContact CB-CD2 3.93Å; N147-W229 HydrophobicContact CB-CG 4.28Å; N147-W229 HydrophobicContact CB-CZ2 3.97Å; N147-W229 WeakPolarHBondContact ND2-CH2 3.37Å; L153-W229 HydrophobicContact CD1-CH2 4.19Å; L153-W229 HydrophobicContact CD1-CZ2 4.39Å; L153-W229 HydrophobicContact CD2-CH2 3.98Å; L153-W229 HydrophobicContact CD2-CZ2 3.47Å; L153-W229 VanDerWaalsContact CD2-CZ2 3.47Å; L153-W229 HydrophobicContact CG-CZ2 4.44Å; C225-W229 WeakPolarHBondContact O-CB 3.29Å; C225-W229 PolarHBondContact O-N 3.26Å; D226-W229 PolarHBondContact O-N 2.88Å; W229-R251 HydrophobicContact CE3-CB 4.01Å; W229-R251 HydrophobicContact CE3-CG 4.18Å; W229-R251 HydrophobicContact CZ3-CB 4.44Å; W229-M480 HydrophobicContact CD2-CE 4.16Å; W229-M480 HydrophobicContact CG-CE 4.47Å; W229-M480 HydrophobicContact CH2-CB 3.79Å; W229-M480 HydrophobicContact CH2-CG 4.27Å; W229-M480 HydrophobicContact CZ2-CB 4.11Å; W229-M480 HydrophobicContact CZ2-CE 3.72Å; W229-M480 HydrophobicContact CZ2-CG 4.14Å; W229-M480 HydrophobicContact CZ3-CB 4.14Å
230	S	98.8	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.			trans	-74.8	147.1	-176.7	72.6	0	0	0	0	111.6	G197 G198 L199 D226 S254 Y255 Y257 R276	G197-S230 CarbonylContact C-O 3.6Å; G197-S230 WeakPolarHBondContact CA-O 3.41Å; G198-S230 VanDerWaalsContact CA-OG 3.24Å; G198-S230 WeakPolarHBondContact CA-OG 3.28Å; G198-S230 PolarHBondContact N-OG 3.17Å; L199-S230 PolarHBondContact N-OG 3.34Å; L199-S230 VanDerWaalsContact N-OG 3.07Å; L199-S230 VanDerWaalsContact O-CB 3.27Å; L199-S230 WeakPolarHBondContact O-CB 3.24Å; L199-S230 PolarHBondContact O-OG 3.42Å; D226-S230 VanDerWaalsContact O-CB 3.29Å; D226-S230 WeakPolarHBondContact O-CB 3.48Å; D226-S230 PolarHBondContact O-N 3.07Å; D226-S230 PolarHBondContact O-OG 3.01Å; S230-S254 WeakPolarHBondContact CB-OG 3.23Å; S230-Y255 VanDerWaalsContact CA-O 3.3Å; S230-Y255 WeakPolarHBondContact CA-O 3.32Å; S230-Y255 VanDerWaalsContact CB-O 3.25Å; S230-Y255 WeakPolarHBondContact CB-O 3.3Å; S230-Y257 WeakPolarHBondContact OG-CD1 3.32Å; S230-Y257 WeakPolarHBondContact OG-CE1 3.27Å; S230-R276 PolarHBondContact O-NH2 2.79Å
231	D	98.8	Very high	96.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.8	-177.6	-69.5	-50.9	0	0	0	110.9	N248 R251 Y255 F256 Y257 R276 H278 E279	D231-N248 PolarHBondContact OD2-ND2 2.8Å; D231-R251 IonicContact OD1-NE 3.58Å; D231-R251 IonicContact OD1-NH2 3.2Å; D231-R251 VanDerWaalsContact OD2-CG 3.24Å; D231-R251 WeakPolarHBondContact OD2-CG 3.35Å; D231-R251 IonicContact OD2-CZ 3.9Å; D231-R251 IonicContact OD2-NE 3.08Å; D231-R251 PolarHBondContact OD2-NE 3.39Å; D231-R251 IonicContact OD2-NH2 2.8Å; D231-Y255 PolarHBondContact N-O 2.73Å; D231-Y255 VanDerWaalsContact N-O 3.16Å; D231-F256 HydrophobicContact CB-CD1 3.91Å; D231-F256 HydrophobicContact CB-CE1 3.97Å; D231-F256 CarbonylContact O-C 3.59Å; D231-F256 WeakPolarHBondContact O-CA 3.47Å; D231-Y257 WeakPolarHBondContact O-CD1 3.49Å; D231-Y257 WeakPolarHBondContact O-CE1 3.25Å; D231-Y257 PolarHBondContact O-N 3.13Å; D231-R276 IonicContact OD1-CZ 2.85Å; D231-R276 IonicContact OD1-NH1 3.12Å; D231-R276 PolarHBondContact OD1-NH1 3.32Å; D231-R276 IonicContact OD1-NH2 2.83Å; D231-R276 PolarHBondContact OD1-NH2 3.27Å; D231-H278 IonicContact OD1-CD2 2.98Å; D231-H278 PolarHBondContact OD1-CD2 2.94Å; D231-H278 IonicContact OD1-NE2 2.8Å; D231-E279 WeakPolarHBondContact OD1-CG 3.12Å
232	P	98.4	Very high	95.9	Very high	4 Å²	4	45 Å²	45	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	143.8	165.5	28.1	-31.2	0	0	0	110.4	Y236 Y257 E279 Y288 L299	P232-Y236 HydrophobicContact CB-CD2 3.63Å; P232-Y236 HydrophobicContact CB-CE2 4.26Å; P232-Y236 HydrophobicContact CB-CG 4.08Å; P232-Y257 WeakPolarHBondContact CA-O 3.29Å; P232-Y257 HydrophobicContact CB-CD2 4.49Å; P232-Y257 HydrophobicContact CB-CE2 3.92Å; P232-Y257 WeakPolarHBondContact CD-OH 3.49Å; P232-E279 VanDerWaalsContact CD-OE2 3.29Å; P232-E279 WeakPolarHBondContact CD-OE2 3.49Å; P232-Y288 HydrophobicContact CB-CD1 4.5Å; P232-Y288 HydrophobicContact CB-CE1 3.86Å; P232-Y288 HydrophobicContact CG-CE1 3.61Å; P232-Y288 WeakPolarHBondContact CG-OH 3.45Å; P232-L299 HydrophobicContact CB-CD2 3.67Å; P232-L299 HydrophobicContact CG-CD2 3.82Å
233	G	96.6	Very high	95.7	Very high	9 Å²	9	50.4 Å²	50.4	9%	0.093	26%	0.258	C	S	.	.			trans	-56.3	150.5	171.9	0	0	0	0	0	112.6	D235 Y236 Y257	G233-D235 PolarHBondContact O-N 3.2Å; G233-Y236 WeakPolarHBondContact O-CB 3.38Å; G233-Y236 PolarHBondContact O-N 3.39Å; G233-Y257 PolarHBondContact N-O 2.79Å; G233-Y257 VanDerWaalsContact N-O 3.07Å
234	E	93.1	Very high	95.6	Very high	189 Å²	189	52.5 Å²	52.5	88%	0.883	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.5	-179.1	-170.9	-179.3	177.9	0	0	112.1	Y236	E234-Y236 VanDerWaalsContact C-N 3.33Å; E234-Y236 PolarHBondContact O-N 3.29Å
235	D	94	Very high	95.6	Very high	74 Å²	74	54.2 Å²	54.2	40%	0.396	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	19.4	177.1	65.3	-20.6	0	0	0	113.7	G233 G237 S238 E239	G233-D235 PolarHBondContact O-N 3.2Å; D235-G237 PolarHBondContact O-N 3.37Å; D235-S238 CarbonylContact O-C 3.52Å; D235-S238 WeakPolarHBondContact O-CA 3.47Å; D235-S238 PolarHBondContact O-N 2.9Å; D235-S238 PolarHBondContact O-OG 3.49Å; D235-E239 PolarHBondContact O-N 3.08Å; D235-E239 WeakPolarHBondContact OD2-CA 3.35Å
236	Y	97.1	Very high	95.5	Very high	15 Å²	15	56.7 Å²	56.7	6%	0.059	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	121.8	-176.8	-175.1	-81	0	0	0	113.2	P232 G233 E234 S238 E239 Y257 S258 Y259 V262 Y288 S298 L299	P232-Y236 HydrophobicContact CB-CD2 3.63Å; P232-Y236 HydrophobicContact CB-CE2 4.26Å; P232-Y236 HydrophobicContact CB-CG 4.08Å; G233-Y236 WeakPolarHBondContact O-CB 3.38Å; G233-Y236 PolarHBondContact O-N 3.39Å; E234-Y236 VanDerWaalsContact C-N 3.33Å; E234-Y236 PolarHBondContact O-N 3.29Å; Y236-S238 VanDerWaalsContact C-N 3.33Å; Y236-E239 WeakPolarHBondContact CA-OE1 3.08Å; Y236-Y257 HydrophobicContact CE2-CD2 4.28Å; Y236-Y257 HydrophobicContact CE2-CE2 4.4Å; Y236-S258 VanDerWaalsContact CE2-C 3.5Å; Y236-Y259 HydrophobicContact CD1-CD2 4.48Å; Y236-Y259 AromaticContact CE1-CD2 3.68Å; Y236-Y259 HydrophobicContact CE1-CD2 3.68Å; Y236-Y259 HydrophobicContact CE1-CG 4.24Å; Y236-Y259 VanDerWaalsContact CE2-CA 3.46Å; Y236-Y259 VanDerWaalsContact CE2-N 3.33Å; Y236-Y259 AromaticContact CZ-CD2 3.97Å; Y236-V262 HydrophobicContact CE2-CB 4.48Å; Y236-V262 HydrophobicContact CE2-CG2 3.81Å; Y236-V262 VanDerWaalsContact OH-CB 3.23Å; Y236-V262 WeakPolarHBondContact OH-CB 3.37Å; Y236-V262 WeakPolarHBondContact OH-CG1 3.39Å; Y236-V262 VanDerWaalsContact OH-CG2 3.3Å; Y236-V262 WeakPolarHBondContact OH-CG2 3.46Å; Y236-Y288 AromaticContact CD1-CD1 3.52Å; Y236-Y288 HydrophobicContact CD1-CD1 3.52Å; Y236-Y288 HydrophobicContact CD1-CG 4.09Å; Y236-Y288 HydrophobicContact CE1-CD1 4.07Å; Y236-Y288 HydrophobicContact CE1-CG 4.2Å; Y236-Y288 AromaticContact CG-CD1 3.91Å; Y236-Y288 HydrophobicContact CG-CD1 3.91Å; Y236-Y288 HydrophobicContact CG-CE1 4.49Å; Y236-S298 PolarHBondContact OH-OG 3.2Å; Y236-L299 HydrophobicContact CE1-CB 4.45Å; Y236-L299 HydrophobicContact CE2-CD2 4.27Å
237	G	95.4	Very high	95.4	Very high	11 Å²	11	62.3 Å²	62.3	11%	0.113	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-0.1	-175.9	0	0	0	0	0	114.9	D235 E239 R289	D235-G237 PolarHBondContact O-N 3.37Å; G237-E239 VanDerWaalsContact C-OE2 3.28Å; G237-E239 WeakPolarHBondContact CA-OE2 3.35Å; G237-E239 PolarHBondContact N-OE1 2.93Å; G237-E239 PolarHBondContact N-OE2 3.45Å; G237-R289 VanDerWaalsContact CA-CD 3.48Å; G237-R289 VanDerWaalsContact O-CD 3.32Å; G237-R289 WeakPolarHBondContact O-CD 3.35Å; G237-R289 PolarHBondContact O-NH1 3.32Å
238	S	95.1	Very high	95.4	Very high	88 Å²	88	62.2 Å²	62.2	62%	0.615	32%	0.315	S	S	*	.	S	Bend	trans	-133.4	22.5	175	55.5	0	0	0	0	112.3	D235 Y236	D235-S238 CarbonylContact O-C 3.52Å; D235-S238 WeakPolarHBondContact O-CA 3.47Å; D235-S238 PolarHBondContact O-N 2.9Å; D235-S238 PolarHBondContact O-OG 3.49Å; Y236-S238 VanDerWaalsContact C-N 3.33Å
239	E	93.4	Very high	95.2	Very high	38 Å²	38	66.2 Å²	66.2	18%	0.178	34%	0.343	C	S	.	.			trans	-62.3	143.1	-174.8	-54.1	89.5	159.1	0	0	111.8	D235 Y236 G237 Y259	D235-E239 PolarHBondContact O-N 3.08Å; D235-E239 WeakPolarHBondContact OD2-CA 3.35Å; Y236-E239 WeakPolarHBondContact CA-OE1 3.08Å; G237-E239 VanDerWaalsContact C-OE2 3.28Å; G237-E239 WeakPolarHBondContact CA-OE2 3.35Å; G237-E239 PolarHBondContact N-OE1 2.93Å; G237-E239 PolarHBondContact N-OE2 3.45Å; E239-Y259 VanDerWaalsContact OE1-CB 3.25Å; E239-Y259 WeakPolarHBondContact OE1-CB 3.42Å; E239-Y259 PolarHBondContact OE1-N 3.32Å
240	K	90.1	Very high	94.9	Very high	204 Å²	204	68.2 Å²	68.2	89%	0.887	36%	0.356	S	S	*	.	S	Bend	trans	-82.5	-26.3	176.7	-64.8	178.4	-176.1	170.2	0	112.9
241	T	88.3	Confident	94.8	Very high	87 Å²	87	68.6 Å²	68.6	53%	0.534	36%	0.357	S	S	.	.	S	Bend	trans	-112.1	159.7	179	65.7	0	0	0	0	109.8	E243	T241-E243 VanDerWaalsContact C-N 3.27Å
242	Q	85.2	Confident	94.6	Very high	174 Å²	174	69.8 Å²	69.8	81%	0.813	37%	0.37	S	S	*	.			trans	-95	21.9	171.9	-66	-168.4	-17.8	0	0	112	H244	Q242-H244 PolarHBondContact O-CD2 3.05Å; Q242-H244 PolarHBondContact O-N 3.15Å
243	E	93.8	Very high	94.5	Very high	122 Å²	122	70.2 Å²	70.2	57%	0.57	37%	0.373	S	S	*	.			trans	-67.6	130.4	176.6	-171.6	170.5	-157	0	0	109.4	T241 F245 S258	T241-E243 VanDerWaalsContact C-N 3.27Å; E243-F245 WeakPolarHBondContact CG-O 3.42Å; E243-S258 WeakPolarHBondContact O-CB 3.3Å; E243-S258 PolarHBondContact O-OG 3.48Å
244	H	97.2	Very high	94.6	Very high	72 Å²	72	70.2 Å²	70.2	33%	0.333	37%	0.372	S	S	.	.	S	Bend	trans	-75.8	-40.5	-176.1	-76.8	-168.1	0	0	0	112.3	Q242 Y257 S258 A261 D264	Q242-H244 PolarHBondContact O-CD2 3.05Å; Q242-H244 PolarHBondContact O-N 3.15Å; H244-Y257 WeakPolarHBondContact O-CA 3.46Å; H244-S258 WeakPolarHBondContact CA-OG 3.43Å; H244-S258 PolarHBondContact O-N 3.42Å; H244-S258 PolarHBondContact O-OG 2.98Å; H244-A261 HydrophobicContact CB-CB 3.7Å; H244-A261 WeakPolarHBondContact O-CB 3.4Å; H244-D264 IonicContact CE1-OD2 2.8Å; H244-D264 PolarHBondContact CE1-OD2 3.34Å; H244-D264 IonicContact NE2-OD2 3.59Å
245	F	98.1	Very high	94.8	Very high	42 Å²	42	65.1 Å²	65.1	18%	0.184	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134	-174.1	-61.3	-86.8	0	0	0	110.1	L199 P201 E243 Y255 F256 A261	L199-F245 HydrophobicContact CB-CE1 4Å; L199-F245 HydrophobicContact CB-CZ 4.2Å; P201-F245 HydrophobicContact CB-CD2 3.84Å; P201-F245 HydrophobicContact CB-CE2 4.06Å; P201-F245 HydrophobicContact CB-CG 4.13Å; E243-F245 WeakPolarHBondContact CG-O 3.42Å; F245-Y255 HydrophobicContact CB-CD1 4.09Å; F245-Y255 HydrophobicContact CB-CG 4.26Å; F245-Y255 HydrophobicContact CD1-CG 4.5Å; F245-F256 CarbonylContact C-O 3.53Å; F245-F256 VanDerWaalsContact CA-O 3.24Å; F245-F256 WeakPolarHBondContact CA-O 3.18Å; F245-A261 HydrophobicContact CE2-CB 4.3Å; F245-A261 HydrophobicContact CZ-CB 4.27Å
246	S	97.2	Very high	95.1	Very high	51 Å²	51	63.2 Å²	63.2	36%	0.357	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.3	170.7	65.2	0	0	0	0	109.5	N248 Y255 F256	S246-N248 PolarHBondContact O-N 2.92Å; S246-Y255 CarbonylContact O-C 3.59Å; S246-Y255 WeakPolarHBondContact O-CA 3.2Å; S246-Y255 WeakPolarHBondContact O-CB 3.42Å; S246-F256 PolarHBondContact N-O 2.98Å; S246-F256 PolarHBondContact O-N 3.17Å
247	H	97.4	Very high	95.1	Very high	119 Å²	119	62.6 Å²	62.6	55%	0.551	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61	130.5	-178	174.8	-83.1	0	0	0	111.3	S249	H247-S249 PolarHBondContact O-N 3.02Å; H247-S249 VanDerWaalsContact O-N 3.07Å
248	N	97.7	Very high	95.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.329	C	S	.	.			trans	-77.8	96.5	178.1	-169.2	-28.4	0	0	0	110.6	D231 S246 V250 R251 G252 C253 S254 F256	D231-N248 PolarHBondContact OD2-ND2 2.8Å; S246-N248 PolarHBondContact O-N 2.92Å; N248-V250 VanDerWaalsContact C-N 3.31Å; N248-V250 PolarHBondContact O-N 3.36Å; N248-V250 WeakPolarHBondContact OD1-CB 3.4Å; N248-V250 PolarHBondContact OD1-N 3.19Å; N248-V250 VanDerWaalsContact OD1-N 3.1Å; N248-R251 HydrophobicContact CB-CB 4.38Å; N248-R251 WeakPolarHBondContact ND2-CG 3.48Å; N248-R251 PolarHBondContact OD1-N 3.29Å; N248-G252 WeakPolarHBondContact O-CA 3.13Å; N248-G252 PolarHBondContact O-N 2.81Å; N248-C253 WeakPolarHBondContact CB-O 3.25Å; N248-S254 PolarHBondContact N-O 3.07Å; N248-F256 HydrophobicContact CB-CD2 4.34Å; N248-F256 HydrophobicContact CB-CE2 4.37Å; N248-F256 HydrophobicContact CB-CG 4.4Å; N248-F256 HydrophobicContact CB-CZ 4.46Å; N248-F256 WeakPolarHBondContact OD1-CE1 3.4Å; N248-F256 WeakPolarHBondContact OD1-CZ 3.44Å
249	S	94.9	Very high	95.4	Very high	83 Å²	83	59.1 Å²	59.1	58%	0.58	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.5	178.6	52	0	0	0	0	113.4	H247	H247-S249 PolarHBondContact O-N 3.02Å; H247-S249 VanDerWaalsContact O-N 3.07Å
250	V	92.8	Very high	95.6	Very high	50 Å²	50	58.8 Å²	58.8	30%	0.303	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-49.1	178.6	170.1	0	0	0	0	110.3	N248 F256 L475	N248-V250 VanDerWaalsContact C-N 3.31Å; N248-V250 PolarHBondContact O-N 3.36Å; N248-V250 WeakPolarHBondContact OD1-CB 3.4Å; N248-V250 PolarHBondContact OD1-N 3.19Å; N248-V250 VanDerWaalsContact OD1-N 3.1Å; V250-F256 HydrophobicContact CB-CZ 4.08Å; V250-F256 HydrophobicContact CG2-CZ 3.84Å; V250-L475 HydrophobicContact CG1-CD1 3.81Å; V250-L475 HydrophobicContact CG2-CD1 4.43Å
251	R	95.6	Very high	96	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.026	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-23	178.9	-56	-56.4	-178.6	171.3	6.3	112.9	W229 D231 N248 C253 H278 E478 R479 M480	W229-R251 HydrophobicContact CE3-CB 4.01Å; W229-R251 HydrophobicContact CE3-CG 4.18Å; W229-R251 HydrophobicContact CZ3-CB 4.44Å; D231-R251 IonicContact OD1-NE 3.58Å; D231-R251 IonicContact OD1-NH2 3.2Å; D231-R251 VanDerWaalsContact OD2-CG 3.24Å; D231-R251 WeakPolarHBondContact OD2-CG 3.35Å; D231-R251 IonicContact OD2-CZ 3.9Å; D231-R251 IonicContact OD2-NE 3.08Å; D231-R251 PolarHBondContact OD2-NE 3.39Å; D231-R251 IonicContact OD2-NH2 2.8Å; N248-R251 HydrophobicContact CB-CB 4.38Å; N248-R251 WeakPolarHBondContact ND2-CG 3.48Å; N248-R251 PolarHBondContact OD1-N 3.29Å; R251-C253 PolarHBondContact O-N 2.71Å; R251-H278 VanDerWaalsContact CZ-CE1 3.42Å; R251-H278 PolarHBondContact NE-NE2 3.08Å; R251-H278 VanDerWaalsContact NE-NE2 3.17Å; R251-H278 PolarHBondContact NH2-CD2 3.39Å; R251-H278 PolarHBondContact NH2-NE2 2.87Å; R251-H278 PolarHBondContact NH2-O 2.85Å; R251-E478 WeakPolarHBondContact CD-O 3.27Å; R251-E478 IonicContact CZ-OE2 3.4Å; R251-E478 PolarHBondContact NH1-O 3Å; R251-E478 IonicContact NH1-OE2 3.09Å; R251-E478 PolarHBondContact NH1-OE2 3.46Å; R251-E478 IonicContact NH2-OE2 3.54Å; R251-R479 WeakPolarHBondContact O-CG 3.09Å; R251-M480 PolarHBondContact O-N 2.98Å
252	G	94.9	Very high	96.5	Very high	27 Å²	27	45.1 Å²	45.1	28%	0.278	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	11.1	-176.8	0	0	0	0	0	114.1	N248	N248-G252 WeakPolarHBondContact O-CA 3.13Å; N248-G252 PolarHBondContact O-N 2.81Å
253	C	96.9	Very high	97.1	Very high	12 Å²	12	37.3 Å²	37.3	8%	0.081	20%	0.202	C	C	.	.	S	Bend	trans	-156.2	166.6	176.7	64.1	0	0	0	0	108.5	N248 R251 M480	N248-C253 WeakPolarHBondContact CB-O 3.25Å; R251-C253 PolarHBondContact O-N 2.71Å; C253-M480 HydrophobicContact CB-CB 4.42Å; C253-M480 HydrophobicContact CB-CE 3.86Å; C253-M480 HydrophobicContact CB-SD 3.98Å; C253-M480 WeakPolarHBondContact SG-CE 3.27Å
254	S	98.2	Very high	97.3	Very high	10 Å²	10	34.9 Å²	34.9	7%	0.07	19%	0.193	C	C	.	.	S	Bend	trans	57.8	-156.7	-179.3	-163.6	0	0	0	0	113	D226 S230 N248	D226-S254 VanDerWaalsContact CA-OG 3.29Å; D226-S254 WeakPolarHBondContact CA-OG 3.29Å; D226-S254 WeakPolarHBondContact OD1-CA 3.47Å; D226-S254 VanDerWaalsContact OD1-CB 3.31Å; D226-S254 WeakPolarHBondContact OD1-CB 3.34Å; D226-S254 PolarHBondContact OD1-OG 3.48Å; S230-S254 WeakPolarHBondContact CB-OG 3.23Å; N248-S254 PolarHBondContact N-O 3.07Å
255	Y	98.6	Very high	97.4	Very high	82 Å²	82	32 Å²	32	32%	0.322	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.5	-165.4	-58.8	-84.6	0	0	0	112.7	P201 S230 D231 F245 S246	P201-Y255 HydrophobicContact CG-CD2 3.87Å; P201-Y255 HydrophobicContact CG-CE2 3.57Å; P201-Y255 HydrophobicContact CG-CG 4.48Å; S230-Y255 VanDerWaalsContact CA-O 3.3Å; S230-Y255 WeakPolarHBondContact CA-O 3.32Å; S230-Y255 VanDerWaalsContact CB-O 3.25Å; S230-Y255 WeakPolarHBondContact CB-O 3.3Å; D231-Y255 PolarHBondContact N-O 2.73Å; D231-Y255 VanDerWaalsContact N-O 3.16Å; F245-Y255 HydrophobicContact CB-CD1 4.09Å; F245-Y255 HydrophobicContact CB-CG 4.26Å; F245-Y255 HydrophobicContact CD1-CG 4.5Å; S246-Y255 CarbonylContact O-C 3.59Å; S246-Y255 WeakPolarHBondContact O-CA 3.2Å; S246-Y255 WeakPolarHBondContact O-CB 3.42Å
256	F	98.6	Very high	97.4	Very high	34 Å²	34	30.3 Å²	30.3	15%	0.149	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	133	152.8	-69.6	-57.9	0	0	0	108.7	D231 F245 S246 N248 V250	D231-F256 HydrophobicContact CB-CD1 3.91Å; D231-F256 HydrophobicContact CB-CE1 3.97Å; D231-F256 CarbonylContact O-C 3.59Å; D231-F256 WeakPolarHBondContact O-CA 3.47Å; F245-F256 CarbonylContact C-O 3.53Å; F245-F256 VanDerWaalsContact CA-O 3.24Å; F245-F256 WeakPolarHBondContact CA-O 3.18Å; S246-F256 PolarHBondContact N-O 2.98Å; S246-F256 PolarHBondContact O-N 3.17Å; N248-F256 HydrophobicContact CB-CD2 4.34Å; N248-F256 HydrophobicContact CB-CE2 4.37Å; N248-F256 HydrophobicContact CB-CG 4.4Å; N248-F256 HydrophobicContact CB-CZ 4.46Å; N248-F256 WeakPolarHBondContact OD1-CE1 3.4Å; N248-F256 WeakPolarHBondContact OD1-CZ 3.44Å; V250-F256 HydrophobicContact CB-CZ 4.08Å; V250-F256 HydrophobicContact CG2-CZ 3.84Å
257	Y	98.6	Very high	97.4	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142	172.3	55.6	-97.5	0	0	0	111.5	L199 S230 D231 P232 G233 Y236 H244 V262 L299	L199-Y257 HydrophobicContact CB-CD1 4.33Å; L199-Y257 HydrophobicContact CB-CG 4.29Å; S230-Y257 WeakPolarHBondContact OG-CD1 3.32Å; S230-Y257 WeakPolarHBondContact OG-CE1 3.27Å; D231-Y257 WeakPolarHBondContact O-CD1 3.49Å; D231-Y257 WeakPolarHBondContact O-CE1 3.25Å; D231-Y257 PolarHBondContact O-N 3.13Å; P232-Y257 WeakPolarHBondContact CA-O 3.29Å; P232-Y257 HydrophobicContact CB-CD2 4.49Å; P232-Y257 HydrophobicContact CB-CE2 3.92Å; P232-Y257 WeakPolarHBondContact CD-OH 3.49Å; G233-Y257 PolarHBondContact N-O 2.79Å; G233-Y257 VanDerWaalsContact N-O 3.07Å; Y236-Y257 HydrophobicContact CE2-CD2 4.28Å; Y236-Y257 HydrophobicContact CE2-CE2 4.4Å; H244-Y257 WeakPolarHBondContact O-CA 3.46Å; Y257-V262 HydrophobicContact CD2-CG2 3.6Å; Y257-V262 HydrophobicContact CE2-CG2 3.88Å; Y257-L299 HydrophobicContact CE2-CD1 4.38Å; Y257-L299 HydrophobicContact CE2-CD2 3.86Å
258	S	98.4	Very high	97.4	Very high	10 Å²	10	33.3 Å²	33.3	7%	0.07	19%	0.187	C	C	.	.			trans	-94.4	166.7	-176.4	66.7	0	0	0	0	113.1	Y236 E243 H244 P260 A261 V262	Y236-S258 VanDerWaalsContact CE2-C 3.5Å; E243-S258 WeakPolarHBondContact O-CB 3.3Å; E243-S258 PolarHBondContact O-OG 3.48Å; H244-S258 WeakPolarHBondContact CA-OG 3.43Å; H244-S258 PolarHBondContact O-N 3.42Å; H244-S258 PolarHBondContact O-OG 2.98Å; S258-P260 WeakPolarHBondContact OG-CD 3.35Å; S258-A261 WeakPolarHBondContact O-CB 3.4Å; S258-A261 PolarHBondContact O-N 3.44Å; S258-V262 PolarHBondContact O-N 3.46Å; S258-V262 VanDerWaalsContact O-N 3.14Å
259	Y	98.4	Very high	97.4	Very high	16 Å²	16	34.6 Å²	34.6	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-43.2	174.6	170.6	-95.9	0	0	0	113.1	Y236 E239 A261 V262 C263 R289 K290 S291 S298	Y236-Y259 HydrophobicContact CD1-CD2 4.48Å; Y236-Y259 AromaticContact CE1-CD2 3.68Å; Y236-Y259 HydrophobicContact CE1-CD2 3.68Å; Y236-Y259 HydrophobicContact CE1-CG 4.24Å; Y236-Y259 VanDerWaalsContact CE2-CA 3.46Å; Y236-Y259 VanDerWaalsContact CE2-N 3.33Å; Y236-Y259 AromaticContact CZ-CD2 3.97Å; E239-Y259 VanDerWaalsContact OE1-CB 3.25Å; E239-Y259 WeakPolarHBondContact OE1-CB 3.42Å; E239-Y259 PolarHBondContact OE1-N 3.32Å; Y259-A261 PolarHBondContact O-N 3.31Å; Y259-V262 PolarHBondContact O-N 3.36Å; Y259-C263 VanDerWaalsContact CE1-SG 3.6Å; Y259-C263 VanDerWaalsContact CE2-SG 3.51Å; Y259-C263 PolarHBondContact O-N 2.91Å; Y259-C263 PolarHBondContact O-SG 2.95Å; Y259-R289 HydrophobicContact CD2-CB 3.84Å; Y259-R289 HydrophobicContact CD2-CG 4.04Å; Y259-R289 HydrophobicContact CE2-CB 3.84Å; Y259-R289 HydrophobicContact CE2-CG 3.65Å; Y259-K290 PolarHBondContact OH-O 3.3Å; Y259-S291 WeakPolarHBondContact OH-CA 3.29Å; Y259-S298 WeakPolarHBondContact CD2-OG 3.44Å
260	P	97.6	Very high	97.6	Very high	30 Å²	30	37.4 Å²	37.4	20%	0.195	20%	0.202	C	C	.	.	H	α-helix	trans	-55.2	-46	169.9	-27.4	35.6	0	0	0	113.4	S258 V262 C263 D264	S258-P260 WeakPolarHBondContact OG-CD 3.35Å; P260-V262 VanDerWaalsContact C-N 3.32Å; P260-V262 PolarHBondContact O-N 2.84Å; P260-C263 PolarHBondContact O-N 3.31Å; P260-C263 VanDerWaalsContact O-N 3.14Å; P260-D264 PolarHBondContact O-N 2.72Å
261	A	98.1	Very high	97.9	Very high	5 Å²	5	35.8 Å²	35.8	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-43.6	179.8	0	0	0	0	0	112.2	H244 F245 S258 Y259 F265	H244-A261 HydrophobicContact CB-CB 3.7Å; H244-A261 WeakPolarHBondContact O-CB 3.4Å; F245-A261 HydrophobicContact CE2-CB 4.3Å; F245-A261 HydrophobicContact CZ-CB 4.27Å; S258-A261 WeakPolarHBondContact O-CB 3.4Å; S258-A261 PolarHBondContact O-N 3.44Å; Y259-A261 PolarHBondContact O-N 3.31Å; A261-F265 WeakPolarHBondContact O-CB 3.37Å; A261-F265 PolarHBondContact O-N 2.74Å; A261-F265 VanDerWaalsContact O-N 3.08Å
262	V	98.5	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-44.5	176.1	177.4	0	0	0	0	111.2	L199 Y236 Y257 S258 Y259 P260 D264 F265 L266 V274 S298	L199-V262 HydrophobicContact CD1-CB 4.26Å; L199-V262 HydrophobicContact CD1-CG2 3.72Å; Y236-V262 HydrophobicContact CE2-CB 4.48Å; Y236-V262 HydrophobicContact CE2-CG2 3.81Å; Y236-V262 VanDerWaalsContact OH-CB 3.23Å; Y236-V262 WeakPolarHBondContact OH-CB 3.37Å; Y236-V262 WeakPolarHBondContact OH-CG1 3.39Å; Y236-V262 VanDerWaalsContact OH-CG2 3.3Å; Y236-V262 WeakPolarHBondContact OH-CG2 3.46Å; Y257-V262 HydrophobicContact CD2-CG2 3.6Å; Y257-V262 HydrophobicContact CE2-CG2 3.88Å; S258-V262 PolarHBondContact O-N 3.46Å; S258-V262 VanDerWaalsContact O-N 3.14Å; Y259-V262 PolarHBondContact O-N 3.36Å; P260-V262 VanDerWaalsContact C-N 3.32Å; P260-V262 PolarHBondContact O-N 2.84Å; V262-D264 VanDerWaalsContact C-N 3.35Å; V262-D264 PolarHBondContact O-N 3.32Å; V262-F265 PolarHBondContact O-N 3.27Å; V262-L266 HydrophobicContact CG1-CD1 3.81Å; V262-L266 HydrophobicContact CG1-CG 4.08Å; V262-L266 WeakPolarHBondContact O-CB 3.34Å; V262-L266 WeakPolarHBondContact O-CG 3.28Å; V262-L266 PolarHBondContact O-N 3.41Å; V262-V274 HydrophobicContact CG1-CG2 4.2Å; V262-S298 WeakPolarHBondContact CG1-O 3.38Å
263	C	97.9	Very high	98.2	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.068	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-45.1	179.6	-71	0	0	0	0	112.1	Y259 P260 L266 M267	Y259-C263 VanDerWaalsContact CE1-SG 3.6Å; Y259-C263 VanDerWaalsContact CE2-SG 3.51Å; Y259-C263 PolarHBondContact O-N 2.91Å; Y259-C263 PolarHBondContact O-SG 2.95Å; P260-C263 PolarHBondContact O-N 3.31Å; P260-C263 VanDerWaalsContact O-N 3.14Å; C263-L266 PolarHBondContact O-N 3.42Å; C263-M267 WeakPolarHBondContact O-CG 3.46Å; C263-M267 PolarHBondContact O-N 3.1Å
264	D	97.5	Very high	98.3	Very high	71 Å²	71	35.5 Å²	35.5	38%	0.38	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-44.4	178.5	-75	3.2	0	0	0	111.2	H244 P260 V262 L266 M267 N268	H244-D264 IonicContact CE1-OD2 2.8Å; H244-D264 PolarHBondContact CE1-OD2 3.34Å; H244-D264 IonicContact NE2-OD2 3.59Å; P260-D264 PolarHBondContact O-N 2.72Å; V262-D264 VanDerWaalsContact C-N 3.35Å; V262-D264 PolarHBondContact O-N 3.32Å; D264-L266 PolarHBondContact O-N 3.48Å; D264-M267 PolarHBondContact O-N 2.67Å; D264-N268 WeakPolarHBondContact O-CB 3.29Å; D264-N268 PolarHBondContact O-N 3.23Å; D264-N268 PolarHBondContact O-ND2 2.97Å
265	F	98.6	Very high	98.3	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.053	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-45.6	175.8	-176	-90.1	0	0	0	112.1	L193 L199 I203 L206 A261 V262 N268 N269 L271	L193-F265 HydrophobicContact CD2-CE1 3.52Å; L193-F265 HydrophobicContact CD2-CZ 3.8Å; L199-F265 HydrophobicContact CD1-CB 3.94Å; L199-F265 HydrophobicContact CD1-CG 4.22Å; L199-F265 HydrophobicContact CD2-CD1 3.99Å; L199-F265 HydrophobicContact CD2-CD2 4.37Å; L199-F265 HydrophobicContact CD2-CE1 4.22Å; L199-F265 HydrophobicContact CD2-CG 4.07Å; I203-F265 HydrophobicContact CG2-CE2 4.08Å; L206-F265 HydrophobicContact CD2-CZ 4.22Å; A261-F265 WeakPolarHBondContact O-CB 3.37Å; A261-F265 PolarHBondContact O-N 2.74Å; A261-F265 VanDerWaalsContact O-N 3.08Å; V262-F265 PolarHBondContact O-N 3.27Å; F265-N268 PolarHBondContact O-N 2.99Å; F265-N269 WeakPolarHBondContact CE2-ND2 3.26Å; F265-N269 WeakPolarHBondContact O-CB 3.31Å; F265-N269 PolarHBondContact O-N 2.89Å; F265-N269 VanDerWaalsContact O-N 3.08Å; F265-N269 PolarHBondContact O-ND2 3.47Å; F265-L271 HydrophobicContact CE1-CD1 3.93Å
266	L	98.6	Very high	98.3	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-44.1	178.7	-70.4	176.4	0	0	0	111.6	V262 C263 D264 N270 L271 V274	V262-L266 HydrophobicContact CG1-CD1 3.81Å; V262-L266 HydrophobicContact CG1-CG 4.08Å; V262-L266 WeakPolarHBondContact O-CB 3.34Å; V262-L266 WeakPolarHBondContact O-CG 3.28Å; V262-L266 PolarHBondContact O-N 3.41Å; C263-L266 PolarHBondContact O-N 3.42Å; D264-L266 PolarHBondContact O-N 3.48Å; L266-N270 WeakPolarHBondContact O-CA 3.41Å; L266-N270 PolarHBondContact O-N 3.01Å; L266-L271 HydrophobicContact CD2-CB 3.56Å; L266-L271 HydrophobicContact CD2-CD1 4.47Å; L266-L271 PolarHBondContact O-N 2.93Å; L266-V274 HydrophobicContact CD2-CG2 4.03Å
267	M	97.7	Very high	98.3	Very high	110 Å²	110	29.6 Å²	29.6	54%	0.542	16%	0.158	S	C	.	.	H	α-helix	trans	-64.7	-46.6	177.4	-70.8	-169.9	-155.7	0	0	111.7	C263 D264 N269 N270 T293	C263-M267 WeakPolarHBondContact O-CG 3.46Å; C263-M267 PolarHBondContact O-N 3.1Å; D264-M267 PolarHBondContact O-N 2.67Å; M267-N269 PolarHBondContact O-N 3.07Å; M267-N270 PolarHBondContact O-N 3.35Å; M267-T293 WeakPolarHBondContact CE-OG1 3.19Å
268	N	97.8	Very high	98.3	Very high	123 Å²	123	29.6 Å²	29.6	66%	0.658	16%	0.158	S	C	*	.	H	α-helix	trans	-63.8	-29.6	-178.3	-70.7	-16.6	0	0	0	112.9	D264 F265	D264-N268 WeakPolarHBondContact O-CB 3.29Å; D264-N268 PolarHBondContact O-N 3.23Å; D264-N268 PolarHBondContact O-ND2 2.97Å; F265-N268 PolarHBondContact O-N 2.99Å
269	N	98.3	Very high	98.3	Very high	26 Å²	26	30 Å²	30	14%	0.139	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	4.9	-178	-67.6	-83.3	0	0	0	113.6	T204 C205 L206 F265 M267 L271	T204-N269 PolarHBondContact O-ND2 3.5Å; C205-N269 WeakPolarHBondContact CA-OD1 3.49Å; L206-N269 HydrophobicContact CG-CB 4.27Å; L206-N269 PolarHBondContact N-OD1 3.23Å; F265-N269 WeakPolarHBondContact CE2-ND2 3.26Å; F265-N269 WeakPolarHBondContact O-CB 3.31Å; F265-N269 PolarHBondContact O-N 2.89Å; F265-N269 VanDerWaalsContact O-N 3.08Å; F265-N269 PolarHBondContact O-ND2 3.47Å; M267-N269 PolarHBondContact O-N 3.07Å; N269-L271 VanDerWaalsContact C-N 3.33Å; N269-L271 HydrophobicContact CB-CD1 3.93Å; N269-L271 HydrophobicContact CB-CG 3.96Å; N269-L271 PolarHBondContact O-N 2.59Å
270	N	98	Very high	98.2	Very high	143 Å²	143	29.9 Å²	29.9	77%	0.765	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	48.3	-177.2	-170.8	50.4	0	0	0	113.1	L266 M267	L266-N270 WeakPolarHBondContact O-CA 3.41Å; L266-N270 PolarHBondContact O-N 3.01Å; M267-N270 PolarHBondContact O-N 3.35Å
271	L	98.5	Very high	98.3	Very high	16 Å²	16	29.4 Å²	29.4	8%	0.084	16%	0.156	C	C	.	.			trans	-109.5	157.2	179.9	-62.9	175.8	0	0	0	111.5	L187 L193 L206 F265 L266 N269	L187-L271 HydrophobicContact CD1-CD2 3.56Å; L193-L271 HydrophobicContact CB-CD1 3.86Å; L206-L271 HydrophobicContact CD1-CD2 4.49Å; L206-L271 HydrophobicContact CD2-CD1 4.21Å; F265-L271 HydrophobicContact CE1-CD1 3.93Å; L266-L271 HydrophobicContact CD2-CB 3.56Å; L266-L271 HydrophobicContact CD2-CD1 4.47Å; L266-L271 PolarHBondContact O-N 2.93Å; N269-L271 VanDerWaalsContact C-N 3.33Å; N269-L271 HydrophobicContact CB-CD1 3.93Å; N269-L271 HydrophobicContact CB-CG 3.96Å; N269-L271 PolarHBondContact O-N 2.59Å
272	L	98.2	Very high	98.2	Very high	40 Å²	40	33.3 Å²	33.3	21%	0.209	18%	0.176	C	C	.	.	S	Bend	trans	-90.5	-40.5	179.7	-176.3	58.9	0	0	0	112.7	Q191 F192 T294 F296	Q191-L272 HydrophobicContact CB-CB 4.33Å; Q191-L272 WeakPolarHBondContact O-CB 3.34Å; Q191-L272 PolarHBondContact O-N 3.31Å; F192-L272 HydrophobicContact CE1-CB 4.1Å; F192-L272 HydrophobicContact CE1-CD2 3.81Å; F192-L272 HydrophobicContact CE1-CG 4.09Å; F192-L272 HydrophobicContact CZ-CD2 3.79Å; L272-T294 HydrophobicContact CD1-CG2 3.79Å; L272-F296 HydrophobicContact CD1-CB 3.6Å; L272-F296 HydrophobicContact CD1-CD1 4.16Å; L272-F296 HydrophobicContact CD1-CG 3.93Å; L272-F296 HydrophobicContact CD2-CD1 4.14Å; L272-F296 HydrophobicContact CD2-CD2 4.44Å; L272-F296 HydrophobicContact CD2-CG 4.09Å; L272-F296 HydrophobicContact CG-CB 4.12Å; L272-F296 HydrophobicContact CG-CD1 3.7Å; L272-F296 HydrophobicContact CG-CE1 4.47Å; L272-F296 HydrophobicContact CG-CG 3.88Å
273	S	98.7	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	162.3	-177.3	-162.9	0	0	0	0	112.1	F192 L193 P297 S298	F192-S273 WeakPolarHBondContact CA-O 3.42Å; L193-S273 PolarHBondContact N-O 3.34Å; S273-P297 VanDerWaalsContact CB-O 3.25Å; S273-P297 WeakPolarHBondContact CB-O 3.43Å; S273-P297 PolarHBondContact OG-O 2.85Å; S273-S298 VanDerWaalsContact OG-C 3.3Å; S273-S298 PolarHBondContact OG-O 2.81Å
274	V	98.9	Very high	98.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.6	165	-179.6	0	0	0	0	108.6	L193 V195 L199 V262 L266 S298 L299 I300	L193-V274 CarbonylContact O-C 3.21Å; L193-V274 WeakPolarHBondContact O-CA 3.45Å; V195-V274 HydrophobicContact CG2-CG1 4.16Å; L199-V274 HydrophobicContact CD2-CG2 4.41Å; V262-V274 HydrophobicContact CG1-CG2 4.2Å; L266-V274 HydrophobicContact CD2-CG2 4.03Å; V274-S298 PolarHBondContact N-O 2.79Å; V274-L299 HydrophobicContact CB-CD1 3.76Å; V274-L299 HydrophobicContact CG1-CD1 3.82Å; V274-L299 CarbonylContact O-C 3.53Å; V274-L299 WeakPolarHBondContact O-CA 3.28Å; V274-I300 PolarHBondContact O-N 2.68Å
275	I	98.9	Very high	98.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.1	174.1	-54.8	175	0	0	0	107.8	V84 L113 L188 F192 L193 C194 V195 I300 I302 L319	V84-I275 HydrophobicContact CG1-CG2 4.17Å; L113-I275 HydrophobicContact CD1-CG2 4.28Å; L188-I275 HydrophobicContact CD2-CD1 4.43Å; F192-I275 HydrophobicContact CB-CD1 3.86Å; F192-I275 HydrophobicContact CB-CG1 4.23Å; F192-I275 HydrophobicContact CD1-CD1 3.96Å; F192-I275 HydrophobicContact CD1-CG1 4.29Å; F192-I275 HydrophobicContact CD2-CD1 4.5Å; F192-I275 HydrophobicContact CG-CD1 3.84Å; F192-I275 HydrophobicContact CG-CG1 4.46Å; L193-I275 PolarHBondContact O-N 3.42Å; C194-I275 VanDerWaalsContact CA-O 3.27Å; C194-I275 WeakPolarHBondContact CA-O 3.32Å; V195-I275 PolarHBondContact N-O 3.48Å; V195-I275 VanDerWaalsContact N-O 3.12Å; I275-I300 WeakPolarHBondContact CA-O 3.19Å; I275-I300 HydrophobicContact CG1-CB 4.49Å; I275-I300 HydrophobicContact CG1-CD1 4.42Å; I275-I302 HydrophobicContact CG2-CG1 4.24Å; I275-L319 HydrophobicContact CD1-CD1 4.15Å
276	R	98.9	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	176.2	-175.5	72.7	80.6	57	148.3	30.1	113.8	V195 H196 G197 S230 D231 H278 E279 L299 I300 T301 I302	V195-R276 HydrophobicContact CG2-CB 4.25Å; V195-R276 VanDerWaalsContact O-CA 3.23Å; V195-R276 WeakPolarHBondContact O-CA 3.42Å; H196-R276 PolarHBondContact O-NE 2.62Å; H196-R276 VanDerWaalsContact O-NE 3.08Å; G197-R276 WeakPolarHBondContact O-CB 3.47Å; G197-R276 WeakPolarHBondContact O-CG 3.48Å; G197-R276 VanDerWaalsContact O-CZ 3.25Å; G197-R276 PolarHBondContact O-NE 3.46Å; G197-R276 PolarHBondContact O-NH2 2.84Å; S230-R276 PolarHBondContact O-NH2 2.79Å; D231-R276 IonicContact OD1-CZ 2.85Å; D231-R276 IonicContact OD1-NH1 3.12Å; D231-R276 PolarHBondContact OD1-NH1 3.32Å; D231-R276 IonicContact OD1-NH2 2.83Å; D231-R276 PolarHBondContact OD1-NH2 3.27Å; R276-H278 PolarHBondContact NH2-CD2 2.83Å; R276-H278 VanDerWaalsContact NH2-CD2 3.29Å; R276-E279 VanDerWaalsContact NH1-CG 3.33Å; R276-E279 IonicContact NH1-OE2 2.76Å; R276-E279 PolarHBondContact NH1-OE2 3.06Å; R276-L299 HydrophobicContact CG-CD1 3.82Å; R276-I300 PolarHBondContact N-O 3.15Å; R276-T301 VanDerWaalsContact CD-OG1 3.24Å; R276-T301 WeakPolarHBondContact CD-OG1 3.42Å; R276-T301 CarbonylContact O-C 3.38Å; R276-T301 WeakPolarHBondContact O-CA 3.5Å; R276-I302 PolarHBondContact O-N 3.4Å
277	A	98.8	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.			trans	-125.8	-120.6	-177.9	0	0	0	0	0	112.9	D87 L113 H196 E279 T301 I302	D87-A277 WeakPolarHBondContact OD1-CB 3.42Å; L113-A277 HydrophobicContact CB-CB 3.79Å; L113-A277 HydrophobicContact CD1-CB 3.96Å; H196-A277 PolarHBondContact O-N 2.95Å; A277-E279 PolarHBondContact O-N 3.25Å; A277-T301 WeakPolarHBondContact O-CG2 3.37Å; A277-I302 VanDerWaalsContact CA-O 3.29Å; A277-I302 WeakPolarHBondContact CA-O 3.44Å; A277-I302 WeakPolarHBondContact CB-O 3.41Å
278	H	98.4	Very high	98.3	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.014	19%	0.189	C	C	.	.	S	Bend	trans	60.6	-19.9	161.6	-174.1	56.7	0	0	0	119.8	D87 N147 H196 D231 R251 R276	D87-H278 PolarHBondContact OD1-N 3.49Å; D87-H278 VanDerWaalsContact OD2-CA 3.3Å; D87-H278 WeakPolarHBondContact OD2-CA 3.3Å; D87-H278 PolarHBondContact OD2-N 3.36Å; N147-H278 VanDerWaalsContact CG-CE1 3.5Å; N147-H278 PolarHBondContact OD1-CE1 3.17Å; N147-H278 VanDerWaalsContact OD1-CE1 3.32Å; N147-H278 PolarHBondContact OD1-ND1 2.88Å; H196-H278 AromaticContact CD2-ND1 3.93Å; H196-H278 AromaticContact NE2-CG 3.81Å; H196-H278 AromaticContact NE2-ND1 3.49Å; H196-H278 PolarHBondContact NE2-ND1 2.85Å; D231-H278 IonicContact OD1-CD2 2.98Å; D231-H278 PolarHBondContact OD1-CD2 2.94Å; D231-H278 IonicContact OD1-NE2 2.8Å; R251-H278 VanDerWaalsContact CZ-CE1 3.42Å; R251-H278 PolarHBondContact NE-NE2 3.08Å; R251-H278 VanDerWaalsContact NE-NE2 3.17Å; R251-H278 PolarHBondContact NH2-CD2 3.39Å; R251-H278 PolarHBondContact NH2-NE2 2.87Å; R251-H278 PolarHBondContact NH2-O 2.85Å; R276-H278 PolarHBondContact NH2-CD2 2.83Å; R276-H278 VanDerWaalsContact NH2-CD2 3.29Å
279	E	97.9	Very high	98.3	Very high	19 Å²	19	36.7 Å²	36.7	9%	0.089	18%	0.178	C	C	.	.	S	Bend	trans	-119.9	120.5	175.4	-78.4	-179.9	102.9	0	0	110.1	D231 P232 R276 A277 Q281 R471	D231-E279 WeakPolarHBondContact OD1-CG 3.12Å; P232-E279 VanDerWaalsContact CD-OE2 3.29Å; P232-E279 WeakPolarHBondContact CD-OE2 3.49Å; R276-E279 VanDerWaalsContact NH1-CG 3.33Å; R276-E279 IonicContact NH1-OE2 2.76Å; R276-E279 PolarHBondContact NH1-OE2 3.06Å; A277-E279 PolarHBondContact O-N 3.25Å; E279-Q281 WeakPolarHBondContact O-CG 3.39Å; E279-Q281 PolarHBondContact O-N 2.8Å; E279-Q281 PolarHBondContact O-NE2 3.46Å; E279-R471 IonicContact OE1-NH2 2.82Å
280	A	97.2	Very high	98.3	Very high	13 Å²	13	41.8 Å²	41.8	11%	0.107	20%	0.199	C	C	.	.			trans	-53.7	137.2	173.5	0	0	0	0	0	111.5	F303 Y308 Y312 F467	A280-F303 HydrophobicContact CB-CD1 4.39Å; A280-F303 HydrophobicContact CB-CD2 4.48Å; A280-F303 HydrophobicContact CB-CE1 3.93Å; A280-F303 HydrophobicContact CB-CE2 4.05Å; A280-F303 HydrophobicContact CB-CZ 3.76Å; A280-Y308 HydrophobicContact CB-CD1 4.38Å; A280-Y312 HydrophobicContact CB-CE1 4.19Å; A280-F467 HydrophobicContact CB-CE2 4.32Å; A280-F467 HydrophobicContact CB-CZ 4.18Å; A280-F467 WeakPolarHBondContact O-CZ 3.43Å
281	Q	98.3	Very high	98.2	Very high	20 Å²	20	35.4 Å²	35.4	9%	0.093	17%	0.166	C	C	.	.			trans	-127.6	133.3	178.6	-55.7	-57.2	-48.3	0	0	109.7	E279 A283 G284 R286 T301 F303 N314	E279-Q281 WeakPolarHBondContact O-CG 3.39Å; E279-Q281 PolarHBondContact O-N 2.8Å; E279-Q281 PolarHBondContact O-NE2 3.46Å; Q281-A283 VanDerWaalsContact C-N 3.26Å; Q281-A283 PolarHBondContact O-N 3.26Å; Q281-G284 WeakPolarHBondContact O-CA 3.32Å; Q281-G284 PolarHBondContact O-N 3.27Å; Q281-R286 HydrophobicContact CG-CB 4.29Å; Q281-T301 HydrophobicContact CG-CG2 3.82Å; Q281-F303 HydrophobicContact CG-CB 4.42Å; Q281-N314 WeakPolarHBondContact O-CB 3.44Å
282	D	97.4	Very high	97.9	Very high	86 Å²	86	42.1 Å²	42.1	46%	0.46	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-40.7	178.6	-177.6	41.6	0	0	0	112.2	G284 N314 K315 F467	D282-G284 VanDerWaalsContact C-N 3.32Å; D282-G284 PolarHBondContact O-N 3.21Å; D282-N314 WeakPolarHBondContact O-CA 3.42Å; D282-K315 PolarHBondContact O-N 3.09Å; D282-F467 HydrophobicContact CB-CB 4.31Å; D282-F467 HydrophobicContact CB-CD1 4.02Å; D282-F467 HydrophobicContact CB-CD2 3.9Å; D282-F467 HydrophobicContact CB-CE1 4.35Å; D282-F467 HydrophobicContact CB-CE2 4.21Å; D282-F467 HydrophobicContact CB-CG 3.8Å; D282-F467 HydrophobicContact CB-CZ 4.45Å
283	A	98.3	Very high	97.6	Very high	36 Å²	36	45.1 Å²	45.1	30%	0.298	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.5	175.3	0	0	0	0	0	114	Q281 Y285 Q330	Q281-A283 VanDerWaalsContact C-N 3.26Å; Q281-A283 PolarHBondContact O-N 3.26Å; A283-Y285 HydrophobicContact CB-CD1 4.15Å; A283-Y285 HydrophobicContact CB-CE1 4.12Å; A283-Y285 WeakPolarHBondContact O-CD1 3.19Å; A283-Y285 PolarHBondContact O-N 2.94Å; A283-Q330 PolarHBondContact O-NE2 3.23Å
284	G	98.4	Very high	97.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	74.9	0.6	-171.4	0	0	0	0	0	114.4	Q281 D282 F303 K315 A317	Q281-G284 WeakPolarHBondContact O-CA 3.32Å; Q281-G284 PolarHBondContact O-N 3.27Å; D282-G284 VanDerWaalsContact C-N 3.32Å; D282-G284 PolarHBondContact O-N 3.21Å; G284-F303 PolarHBondContact O-N 3.05Å; G284-K315 WeakPolarHBondContact CA-O 3.08Å; G284-K315 PolarHBondContact N-O 2.9Å; G284-K315 VanDerWaalsContact N-O 3.14Å; G284-A317 WeakPolarHBondContact O-CB 3.24Å
285	Y	98.8	Very high	97.3	Very high	76 Å²	76	50.5 Å²	50.5	30%	0.298	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	162.4	172.7	75.7	-75.6	0	0	0	111.6	A283 M287 T301 A317 I328 Q330	A283-Y285 HydrophobicContact CB-CD1 4.15Å; A283-Y285 HydrophobicContact CB-CE1 4.12Å; A283-Y285 WeakPolarHBondContact O-CD1 3.19Å; A283-Y285 PolarHBondContact O-N 2.94Å; Y285-M287 HydrophobicContact CD2-CE 4.22Å; Y285-M287 HydrophobicContact CD2-CG 4.03Å; Y285-M287 HydrophobicContact CE2-CE 4.42Å; Y285-M287 HydrophobicContact CE2-CG 3.92Å; Y285-T301 CarbonylContact C-O 3.49Å; Y285-T301 WeakPolarHBondContact CA-O 3.45Å; Y285-T301 WeakPolarHBondContact CB-O 3.48Å; Y285-A317 HydrophobicContact CD1-CB 4.32Å; Y285-I328 HydrophobicContact CD1-CG2 3.56Å; Y285-I328 HydrophobicContact CD2-CG1 4.18Å; Y285-I328 HydrophobicContact CD2-CG2 4.3Å; Y285-I328 HydrophobicContact CE1-CG2 3.86Å; Y285-I328 HydrophobicContact CE2-CG1 4.3Å; Y285-I328 HydrophobicContact CG-CG1 4.46Å; Y285-I328 HydrophobicContact CG-CG2 3.79Å; Y285-Q330 HydrophobicContact CD1-CG 4.45Å; Y285-Q330 HydrophobicContact CE1-CG 4.35Å
286	R	98.4	Very high	97.2	Very high	93 Å²	93	52.6 Å²	52.6	35%	0.351	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	128.9	169.3	-176.7	171.3	176.2	-170.1	1.1	110.5	Q281 Y288 I300 T301	Q281-R286 HydrophobicContact CG-CB 4.29Å; R286-Y288 HydrophobicContact CB-CD2 4.48Å; R286-Y288 HydrophobicContact CB-CE2 3.89Å; R286-Y288 HydrophobicContact CG-CD2 4.03Å; R286-Y288 HydrophobicContact CG-CE2 3.66Å; R286-I300 WeakPolarHBondContact O-CA 3.41Å; R286-T301 PolarHBondContact N-O 2.79Å; R286-T301 PolarHBondContact O-N 2.93Å
287	M	98.2	Very high	97.2	Very high	71 Å²	71	53.3 Å²	53.3	35%	0.35	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.9	171.2	-64.4	-77.4	174.4	0	0	107.7	Y285 P297 I300 I328	Y285-M287 HydrophobicContact CD2-CE 4.22Å; Y285-M287 HydrophobicContact CD2-CG 4.03Å; Y285-M287 HydrophobicContact CE2-CE 4.42Å; Y285-M287 HydrophobicContact CE2-CG 3.92Å; M287-P297 HydrophobicContact CB-CB 4.5Å; M287-P297 HydrophobicContact CB-CG 4.31Å; M287-P297 HydrophobicContact SD-CB 4.22Å; M287-P297 HydrophobicContact SD-CG 3.94Å; M287-I300 HydrophobicContact CE-CD1 4.03Å; M287-I300 HydrophobicContact CE-CG1 4.43Å; M287-I300 HydrophobicContact CE-CG2 3.9Å; M287-I300 HydrophobicContact SD-CB 4.3Å; M287-I300 HydrophobicContact SD-CD1 3.64Å; M287-I300 HydrophobicContact SD-CG1 3.6Å; M287-I300 HydrophobicContact SD-CG2 3.87Å; M287-I328 HydrophobicContact CE-CD1 3.7Å; M287-I328 HydrophobicContact CE-CG1 3.69Å
288	Y	98.3	Very high	97.2	Very high	15 Å²	15	53.3 Å²	53.3	6%	0.059	27%	0.273	C	S	.	.			trans	-86.9	-176.7	-177.8	-67.8	-106.4	0	0	0	111.3	P232 Y236 R286 K290 L299 T301	P232-Y288 HydrophobicContact CB-CD1 4.5Å; P232-Y288 HydrophobicContact CB-CE1 3.86Å; P232-Y288 HydrophobicContact CG-CE1 3.61Å; P232-Y288 WeakPolarHBondContact CG-OH 3.45Å; Y236-Y288 AromaticContact CD1-CD1 3.52Å; Y236-Y288 HydrophobicContact CD1-CD1 3.52Å; Y236-Y288 HydrophobicContact CD1-CG 4.09Å; Y236-Y288 HydrophobicContact CE1-CD1 4.07Å; Y236-Y288 HydrophobicContact CE1-CG 4.2Å; Y236-Y288 AromaticContact CG-CD1 3.91Å; Y236-Y288 HydrophobicContact CG-CD1 3.91Å; Y236-Y288 HydrophobicContact CG-CE1 4.49Å; R286-Y288 HydrophobicContact CB-CD2 4.48Å; R286-Y288 HydrophobicContact CB-CE2 3.89Å; R286-Y288 HydrophobicContact CG-CD2 4.03Å; R286-Y288 HydrophobicContact CG-CE2 3.66Å; Y288-K290 PolarHBondContact O-N 2.76Å; Y288-L299 WeakPolarHBondContact CB-O 3.24Å; Y288-L299 HydrophobicContact CD1-CD2 4.09Å; Y288-L299 HydrophobicContact CD2-CB 4Å; Y288-L299 HydrophobicContact CD2-CD2 3.79Å; Y288-L299 HydrophobicContact CD2-CG 3.82Å; Y288-L299 WeakPolarHBondContact CD2-O 3.17Å; Y288-L299 HydrophobicContact CE1-CD2 4.13Å; Y288-L299 HydrophobicContact CE2-CD2 3.88Å; Y288-L299 HydrophobicContact CE2-CG 4.14Å; Y288-L299 HydrophobicContact CG-CB 4.07Å; Y288-L299 HydrophobicContact CG-CD2 3.92Å; Y288-L299 HydrophobicContact CG-CG 4.22Å; Y288-L299 PolarHBondContact N-O 3.49Å; Y288-T301 VanDerWaalsContact CE2-OG1 3.32Å; Y288-T301 WeakPolarHBondContact CE2-OG1 3.35Å; Y288-T301 PolarHBondContact OH-OG1 3.19Å
289	R	97.9	Very high	97.2	Very high	113 Å²	113	53.2 Å²	53.2	43%	0.426	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-49.5	138.5	-180	-177.3	173.6	178	-179.7	-1	111	G237 Y259 S298	G237-R289 VanDerWaalsContact CA-CD 3.48Å; G237-R289 VanDerWaalsContact O-CD 3.32Å; G237-R289 WeakPolarHBondContact O-CD 3.35Å; G237-R289 PolarHBondContact O-NH1 3.32Å; Y259-R289 HydrophobicContact CD2-CB 3.84Å; Y259-R289 HydrophobicContact CD2-CG 4.04Å; Y259-R289 HydrophobicContact CE2-CB 3.84Å; Y259-R289 HydrophobicContact CE2-CG 3.65Å; R289-S298 PolarHBondContact O-N 2.99Å; R289-S298 PolarHBondContact O-OG 2.79Å
290	K	98	Very high	97.2	Very high	133 Å²	133	52.3 Å²	52.3	58%	0.578	27%	0.268	S	S	*	.	B	Isolated β-bridge	trans	-74.3	137.5	178.4	-66.7	171.6	171.4	-169.8	0	110.7	Y259 Y288 Q292 G295 F296 P297	Y259-K290 PolarHBondContact OH-O 3.3Å; Y288-K290 PolarHBondContact O-N 2.76Å; K290-Q292 PolarHBondContact O-N 3.46Å; K290-G295 VanDerWaalsContact CD-O 3.3Å; K290-G295 WeakPolarHBondContact CD-O 3.34Å; K290-F296 CarbonylContact C-O 3.54Å; K290-F296 VanDerWaalsContact CA-O 3.31Å; K290-F296 WeakPolarHBondContact CA-O 3.4Å; K290-P297 HydrophobicContact CG-CG 4.49Å
291	S	95.6	Very high	97.3	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.063	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-57.9	133.9	167	172	0	0	0	0	109.7	Y259 T293 T294 G295 F296	Y259-S291 WeakPolarHBondContact OH-CA 3.29Å; S291-T293 PolarHBondContact O-N 2.76Å; S291-T293 PolarHBondContact OG-N 2.86Å; S291-T294 WeakPolarHBondContact CB-OG1 3.19Å; S291-G295 WeakPolarHBondContact O-CA 3.32Å; S291-G295 PolarHBondContact O-N 3.25Å; S291-F296 PolarHBondContact N-O 2.8Å
292	Q	92.7	Very high	97.3	Very high	156 Å²	156	50.7 Å²	50.7	73%	0.729	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-30	179.5	-63.3	-176.5	26.5	0	0	111.8	K290	K290-Q292 PolarHBondContact O-N 3.46Å
293	T	91.8	Very high	97.4	Very high	103 Å²	103	46.7 Å²	46.7	63%	0.632	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-42.9	-177	-50.1	0	0	0	0	112.1	M267 S291	M267-T293 WeakPolarHBondContact CE-OG1 3.19Å; S291-T293 PolarHBondContact O-N 2.76Å; S291-T293 PolarHBondContact OG-N 2.86Å
294	T	94.1	Very high	97.4	Very high	69 Å²	69	45.1 Å²	45.1	42%	0.423	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-16.9	-172.3	63.8	0	0	0	0	113.5	L272 S291 F296	L272-T294 HydrophobicContact CD1-CG2 3.79Å; S291-T294 WeakPolarHBondContact CB-OG1 3.19Å; T294-F296 PolarHBondContact O-N 2.93Å; T294-F296 PolarHBondContact OG1-N 3.17Å
295	G	96.2	Very high	97.4	Very high	44 Å²	44	45.1 Å²	45.1	45%	0.454	22%	0.224	S	C	.	.	S	Bend	trans	67.2	7.7	-171.5	0	0	0	0	0	114	K290 S291	K290-G295 VanDerWaalsContact CD-O 3.3Å; K290-G295 WeakPolarHBondContact CD-O 3.34Å; S291-G295 WeakPolarHBondContact O-CA 3.32Å; S291-G295 PolarHBondContact O-N 3.25Å
296	F	97.6	Very high	97.4	Very high	45 Å²	45	41.5 Å²	41.5	20%	0.197	21%	0.209	C	C	.	.	S	Bend	trans	-99.8	144.9	-179.5	-166.6	-93.2	0	0	0	110.5	F192 L272 K290 S291 T294 S298 I300 M326	F192-F296 HydrophobicContact CE1-CE1 4.08Å; L272-F296 HydrophobicContact CD1-CB 3.6Å; L272-F296 HydrophobicContact CD1-CD1 4.16Å; L272-F296 HydrophobicContact CD1-CG 3.93Å; L272-F296 HydrophobicContact CD2-CD1 4.14Å; L272-F296 HydrophobicContact CD2-CD2 4.44Å; L272-F296 HydrophobicContact CD2-CG 4.09Å; L272-F296 HydrophobicContact CG-CB 4.12Å; L272-F296 HydrophobicContact CG-CD1 3.7Å; L272-F296 HydrophobicContact CG-CE1 4.47Å; L272-F296 HydrophobicContact CG-CG 3.88Å; K290-F296 CarbonylContact C-O 3.54Å; K290-F296 VanDerWaalsContact CA-O 3.31Å; K290-F296 WeakPolarHBondContact CA-O 3.4Å; S291-F296 PolarHBondContact N-O 2.8Å; T294-F296 PolarHBondContact O-N 2.93Å; T294-F296 PolarHBondContact OG1-N 3.17Å; F296-S298 PolarHBondContact O-N 2.94Å; F296-I300 HydrophobicContact CE1-CD1 3.97Å; F296-I300 HydrophobicContact CZ-CD1 4.04Å; F296-M326 HydrophobicContact CD2-CE 4.32Å; F296-M326 HydrophobicContact CE1-CE 3.75Å; F296-M326 HydrophobicContact CE1-SD 4.36Å; F296-M326 HydrophobicContact CE2-CE 3.25Å; F296-M326 HydrophobicContact CE2-SD 4.36Å; F296-M326 HydrophobicContact CZ-CE 2.93Å; F296-M326 HydrophobicContact CZ-SD 3.61Å
297	P	98.3	Very high	97.3	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.104	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-47.6	125.4	174	-29.8	36.3	0	0	0	111.9	S273 M287 K290 L299 I300	S273-P297 VanDerWaalsContact CB-O 3.25Å; S273-P297 WeakPolarHBondContact CB-O 3.43Å; S273-P297 PolarHBondContact OG-O 2.85Å; M287-P297 HydrophobicContact CB-CB 4.5Å; M287-P297 HydrophobicContact CB-CG 4.31Å; M287-P297 HydrophobicContact SD-CB 4.22Å; M287-P297 HydrophobicContact SD-CG 3.94Å; K290-P297 HydrophobicContact CG-CG 4.49Å; P297-L299 VanDerWaalsContact C-N 3.26Å; P297-L299 PolarHBondContact O-N 2.96Å; P297-I300 HydrophobicContact CB-CG1 4.19Å
298	S	98.6	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-69.6	-28.2	179.8	59.4	0	0	0	0	112.4	Y236 Y259 V262 S273 V274 R289 F296	Y236-S298 PolarHBondContact OH-OG 3.2Å; Y259-S298 WeakPolarHBondContact CD2-OG 3.44Å; V262-S298 WeakPolarHBondContact CG1-O 3.38Å; S273-S298 VanDerWaalsContact OG-C 3.3Å; S273-S298 PolarHBondContact OG-O 2.81Å; V274-S298 PolarHBondContact N-O 2.79Å; R289-S298 PolarHBondContact O-N 2.99Å; R289-S298 PolarHBondContact O-OG 2.79Å; F296-S298 PolarHBondContact O-N 2.94Å
299	L	98.8	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.6	-179	180	72.6	0	0	0	110	P232 Y236 Y257 V274 R276 Y288 P297	P232-L299 HydrophobicContact CB-CD2 3.67Å; P232-L299 HydrophobicContact CG-CD2 3.82Å; Y236-L299 HydrophobicContact CE1-CB 4.45Å; Y236-L299 HydrophobicContact CE2-CD2 4.27Å; Y257-L299 HydrophobicContact CE2-CD1 4.38Å; Y257-L299 HydrophobicContact CE2-CD2 3.86Å; V274-L299 HydrophobicContact CB-CD1 3.76Å; V274-L299 HydrophobicContact CG1-CD1 3.82Å; V274-L299 CarbonylContact O-C 3.53Å; V274-L299 WeakPolarHBondContact O-CA 3.28Å; R276-L299 HydrophobicContact CG-CD1 3.82Å; Y288-L299 WeakPolarHBondContact CB-O 3.24Å; Y288-L299 HydrophobicContact CD1-CD2 4.09Å; Y288-L299 HydrophobicContact CD2-CB 4Å; Y288-L299 HydrophobicContact CD2-CD2 3.79Å; Y288-L299 HydrophobicContact CD2-CG 3.82Å; Y288-L299 WeakPolarHBondContact CD2-O 3.17Å; Y288-L299 HydrophobicContact CE1-CD2 4.13Å; Y288-L299 HydrophobicContact CE2-CD2 3.88Å; Y288-L299 HydrophobicContact CE2-CG 4.14Å; Y288-L299 HydrophobicContact CG-CB 4.07Å; Y288-L299 HydrophobicContact CG-CD2 3.92Å; Y288-L299 HydrophobicContact CG-CG 4.22Å; Y288-L299 PolarHBondContact N-O 3.49Å; P297-L299 VanDerWaalsContact C-N 3.26Å; P297-L299 PolarHBondContact O-N 2.96Å
300	I	98.8	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.9	174.5	-52.9	178.7	0	0	0	108.5	V274 I275 R276 R286 M287 F296 P297 I302 L319 M326	V274-I300 PolarHBondContact O-N 2.68Å; I275-I300 WeakPolarHBondContact CA-O 3.19Å; I275-I300 HydrophobicContact CG1-CB 4.49Å; I275-I300 HydrophobicContact CG1-CD1 4.42Å; R276-I300 PolarHBondContact N-O 3.15Å; R286-I300 WeakPolarHBondContact O-CA 3.41Å; M287-I300 HydrophobicContact CE-CD1 4.03Å; M287-I300 HydrophobicContact CE-CG1 4.43Å; M287-I300 HydrophobicContact CE-CG2 3.9Å; M287-I300 HydrophobicContact SD-CB 4.3Å; M287-I300 HydrophobicContact SD-CD1 3.64Å; M287-I300 HydrophobicContact SD-CG1 3.6Å; M287-I300 HydrophobicContact SD-CG2 3.87Å; F296-I300 HydrophobicContact CE1-CD1 3.97Å; F296-I300 HydrophobicContact CZ-CD1 4.04Å; P297-I300 HydrophobicContact CB-CG1 4.19Å; I300-I302 HydrophobicContact CG2-CD1 3.81Å; I300-I302 HydrophobicContact CG2-CG1 4.14Å; I300-L319 HydrophobicContact CD1-CD1 4.29Å; I300-L319 HydrophobicContact CG2-CD1 4.36Å; I300-M326 HydrophobicContact CD1-SD 4.2Å
301	T	98.9	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.5	167.7	-63.1	0	0	0	0	109.2	R276 A277 Q281 Y285 R286 Y288	R276-T301 VanDerWaalsContact CD-OG1 3.24Å; R276-T301 WeakPolarHBondContact CD-OG1 3.42Å; R276-T301 CarbonylContact O-C 3.38Å; R276-T301 WeakPolarHBondContact O-CA 3.5Å; A277-T301 WeakPolarHBondContact O-CG2 3.37Å; Q281-T301 HydrophobicContact CG-CG2 3.82Å; Y285-T301 CarbonylContact C-O 3.49Å; Y285-T301 WeakPolarHBondContact CA-O 3.45Å; Y285-T301 WeakPolarHBondContact CB-O 3.48Å; R286-T301 PolarHBondContact N-O 2.79Å; R286-T301 PolarHBondContact O-N 2.93Å; Y288-T301 VanDerWaalsContact CE2-OG1 3.32Å; Y288-T301 WeakPolarHBondContact CE2-OG1 3.35Å; Y288-T301 PolarHBondContact OH-OG1 3.19Å
302	I	98.8	Very high	95.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.7	173.6	-58.7	-61	0	0	0	108.4	G86 I275 R276 A277 I300 A317 L319 I328	G86-I302 WeakPolarHBondContact CA-O 3.25Å; I275-I302 HydrophobicContact CG2-CG1 4.24Å; R276-I302 PolarHBondContact O-N 3.4Å; A277-I302 VanDerWaalsContact CA-O 3.29Å; A277-I302 WeakPolarHBondContact CA-O 3.44Å; A277-I302 WeakPolarHBondContact CB-O 3.41Å; I300-I302 HydrophobicContact CG2-CD1 3.81Å; I300-I302 HydrophobicContact CG2-CG1 4.14Å; I302-A317 WeakPolarHBondContact CG2-O 3.36Å; I302-L319 HydrophobicContact CD1-CB 3.9Å; I302-L319 HydrophobicContact CD1-CD1 4.21Å; I302-L319 HydrophobicContact CG1-CB 4.16Å; I302-L319 HydrophobicContact CG1-CD1 4.45Å; I302-I328 HydrophobicContact CD1-CD1 3.8Å
303	F	98.8	Very high	95.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	16%	0.162	C	C	.	.			trans	-130.9	124.5	179.5	-171.2	-105.3	0	0	0	109.7	D87 A280 Q281 G284 A305 Y308 A316 A317	D87-F303 HydrophobicContact CB-CD2 3.85Å; D87-F303 HydrophobicContact CB-CE2 3.66Å; D87-F303 WeakPolarHBondContact OD2-CD2 3.35Å; D87-F303 VanDerWaalsContact OD2-CE2 3.23Å; D87-F303 WeakPolarHBondContact OD2-CE2 3.37Å; A280-F303 HydrophobicContact CB-CD1 4.39Å; A280-F303 HydrophobicContact CB-CD2 4.48Å; A280-F303 HydrophobicContact CB-CE1 3.93Å; A280-F303 HydrophobicContact CB-CE2 4.05Å; A280-F303 HydrophobicContact CB-CZ 3.76Å; Q281-F303 HydrophobicContact CG-CB 4.42Å; G284-F303 PolarHBondContact O-N 3.05Å; F303-A305 HydrophobicContact CE1-CB 3.83Å; F303-A305 WeakPolarHBondContact CE1-O 3.49Å; F303-A305 HydrophobicContact CZ-CB 3.88Å; F303-Y308 HydrophobicContact CE1-CG 4.23Å; F303-Y308 HydrophobicContact CZ-CD1 4.12Å; F303-Y308 HydrophobicContact CZ-CD2 4.09Å; F303-Y308 AromaticContact CZ-CG 3.88Å; F303-Y308 HydrophobicContact CZ-CG 3.88Å; F303-A316 CarbonylContact O-C 3.13Å; F303-A316 WeakPolarHBondContact O-CA 3.44Å; F303-A317 PolarHBondContact O-N 2.8Å
304	S	98.9	Very high	96	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.021	13%	0.133	C	C	.	.			trans	-112.9	10.3	-166.3	-64.2	0	0	0	0	114.5	G86 D87 P306 A316 A317 F331	G86-S304 PolarHBondContact N-OG 3.34Å; D87-S304 CarbonylContact O-C 3.6Å; D87-S304 VanDerWaalsContact O-CA 3.27Å; D87-S304 WeakPolarHBondContact O-CA 3.18Å; D87-S304 VanDerWaalsContact O-CB 3.3Å; D87-S304 WeakPolarHBondContact O-CB 3.47Å; D87-S304 PolarHBondContact O-N 2.98Å; S304-P306 WeakPolarHBondContact O-CD 3.5Å; S304-A316 VanDerWaalsContact C-CB 3.48Å; S304-A317 PolarHBondContact OG-O 3Å; S304-F331 WeakPolarHBondContact O-CZ 3.47Å
305	A	98.6	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.			trans	-104.6	100.2	175	0	0	0	0	0	111.4	D87 F303 Y308 N314	D87-A305 PolarHBondContact O-N 2.79Å; D87-A305 VanDerWaalsContact O-N 3.12Å; F303-A305 HydrophobicContact CE1-CB 3.83Å; F303-A305 WeakPolarHBondContact CE1-O 3.49Å; F303-A305 HydrophobicContact CZ-CB 3.88Å; A305-Y308 HydrophobicContact CB-CD2 4.22Å; A305-N314 PolarHBondContact O-ND2 2.82Å
306	P	98.4	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	152.1	-179	32.8	-35.6	0	0	0	111.3	Q91 D94 S304 Y308 A316 F331 C333	Q91-P306 PolarHBondContact NE2-O 2.93Å; D94-P306 HydrophobicContact CB-CG 3.84Å; D94-P306 VanDerWaalsContact CG-CG 3.49Å; S304-P306 WeakPolarHBondContact O-CD 3.5Å; P306-Y308 PolarHBondContact O-N 2.91Å; P306-A316 HydrophobicContact CB-CB 3.68Å; P306-A316 HydrophobicContact CG-CB 3.98Å; P306-F331 HydrophobicContact CG-CD2 4.18Å; P306-F331 HydrophobicContact CG-CE2 3.87Å; P306-C333 HydrophobicContact CB-CB 4.02Å; P306-C333 HydrophobicContact CG-CB 3.94Å
307	N	96.7	Very high	96.4	Very high	29 Å²	29	18.9 Å²	18.9	16%	0.155	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	51.3	-173.5	-171.3	38.6	0	0	0	111.9	L309 D310 N313 N314 C333	N307-L309 PolarHBondContact O-N 3.16Å; N307-D310 WeakPolarHBondContact ND2-CA 3.22Å; N307-D310 PolarHBondContact ND2-O 2.98Å; N307-D310 WeakPolarHBondContact O-CA 3Å; N307-D310 PolarHBondContact O-N 2.99Å; N307-N313 WeakPolarHBondContact OD1-CA 3.39Å; N307-N313 PolarHBondContact OD1-N 2.76Å; N307-N314 PolarHBondContact N-O 3.22Å; N307-N314 PolarHBondContact N-OD1 2.91Å; N307-C333 HydrophobicContact CB-CB 3.62Å
308	Y	95.4	Very high	96.4	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.012	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-52.2	135.5	-173.7	179.7	-127.6	0	0	0	110.9	H89 R119 A280 F303 A305 P306 D310 V311 Y312 N314	H89-Y308 HydrophobicContact CB-CE2 3.88Å; H89-Y308 AromaticContact CD2-CE2 3.45Å; H89-Y308 VanDerWaalsContact CD2-CE2 3.45Å; H89-Y308 WeakPolarHBondContact CD2-CE2 3.46Å; H89-Y308 AromaticContact CD2-CZ 3.88Å; H89-Y308 AromaticContact CG-CE2 3.8Å; R119-Y308 HydrophobicContact CB-CE2 4.15Å; R119-Y308 HydrophobicContact CG-CE2 4.37Å; R119-Y308 WeakPolarHBondContact CG-OH 3.14Å; R119-Y308 PolarHBondContact NH1-OH 3.02Å; A280-Y308 HydrophobicContact CB-CD1 4.38Å; F303-Y308 HydrophobicContact CE1-CG 4.23Å; F303-Y308 HydrophobicContact CZ-CD1 4.12Å; F303-Y308 HydrophobicContact CZ-CD2 4.09Å; F303-Y308 AromaticContact CZ-CG 3.88Å; F303-Y308 HydrophobicContact CZ-CG 3.88Å; A305-Y308 HydrophobicContact CB-CD2 4.22Å; P306-Y308 PolarHBondContact O-N 2.91Å; Y308-D310 PolarHBondContact O-N 3.39Å; Y308-D310 VanDerWaalsContact O-N 3.16Å; Y308-V311 PolarHBondContact O-N 3.07Å; Y308-Y312 HydrophobicContact CD1-CD1 4.36Å; Y308-Y312 AromaticContact CD1-CD2 3.81Å; Y308-Y312 HydrophobicContact CD1-CD2 3.81Å; Y308-Y312 HydrophobicContact CD1-CE1 4.24Å; Y308-Y312 AromaticContact CD1-CE2 3.68Å; Y308-Y312 HydrophobicContact CD1-CE2 3.68Å; Y308-Y312 HydrophobicContact CD1-CG 4.13Å; Y308-Y312 AromaticContact CD1-CZ 3.86Å; Y308-Y312 HydrophobicContact CE1-CE2 4.12Å; Y308-Y312 HydrophobicContact CG-CD2 4.42Å; Y308-Y312 WeakPolarHBondContact O-CB 3.4Å; Y308-Y312 VanDerWaalsContact O-CD2 3.24Å; Y308-Y312 WeakPolarHBondContact O-CD2 3.25Å; Y308-Y312 PolarHBondContact O-N 3.34Å; Y308-N314 WeakPolarHBondContact CB-OD1 3.24Å; Y308-N314 PolarHBondContact N-OD1 2.82Å
309	L	89.8	Confident	96.4	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.058	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	57.5	22.7	-175.5	-48	-177.1	0	0	0	115.1	R119 N307 V311 Y312 L424 D474	R119-L309 HydrophobicContact CB-CD2 3.56Å; R119-L309 HydrophobicContact CG-CD2 4.45Å; N307-L309 PolarHBondContact O-N 3.16Å; L309-V311 HydrophobicContact CB-CG2 4.01Å; L309-V311 PolarHBondContact O-N 2.78Å; L309-V311 VanDerWaalsContact O-N 3.09Å; L309-Y312 HydrophobicContact CB-CD2 4.4Å; L309-Y312 HydrophobicContact CD1-CD2 4.37Å; L309-Y312 HydrophobicContact CD1-CE2 3.79Å; L309-Y312 HydrophobicContact CG-CD2 4.4Å; L309-Y312 HydrophobicContact CG-CE2 4.25Å; L309-L424 HydrophobicContact CD1-CD2 3.6Å; L309-L424 HydrophobicContact CD1-CG 4.39Å; L309-D474 VanDerWaalsContact CD1-OD2 3.29Å; L309-D474 WeakPolarHBondContact CD1-OD2 3.35Å
310	D	90.6	Very high	96.4	Very high	71 Å²	71	19.8 Å²	19.8	38%	0.38	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	63.2	4.6	-174.6	-59.2	-30.2	0	0	0	115.2	N307 Y308 H336	N307-D310 WeakPolarHBondContact ND2-CA 3.22Å; N307-D310 PolarHBondContact ND2-O 2.98Å; N307-D310 WeakPolarHBondContact O-CA 3Å; N307-D310 PolarHBondContact O-N 2.99Å; Y308-D310 PolarHBondContact O-N 3.39Å; Y308-D310 VanDerWaalsContact O-N 3.16Å; D310-H336 IonicContact OD1-CE1 2.8Å; D310-H336 IonicContact OD1-NE2 3.3Å; D310-H336 PolarHBondContact OD1-NE2 2.99Å; D310-H336 IonicContact OD2-CE1 2.76Å; D310-H336 IonicContact OD2-NE2 3.76Å
311	V	86.6	Confident	96.3	Very high	40 Å²	40	20.1 Å²	20.1	24%	0.242	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	-24.8	-170.4	-61.5	0	0	0	0	115.1	Y308 L309 N313 L424 I464 A470	Y308-V311 PolarHBondContact O-N 3.07Å; L309-V311 HydrophobicContact CB-CG2 4.01Å; L309-V311 PolarHBondContact O-N 2.78Å; L309-V311 VanDerWaalsContact O-N 3.09Å; V311-N313 VanDerWaalsContact C-N 3.27Å; V311-N313 PolarHBondContact O-N 2.94Å; V311-L424 HydrophobicContact CG2-CD1 4.21Å; V311-L424 HydrophobicContact CG2-CD2 4.34Å; V311-L424 HydrophobicContact CG2-CG 4.24Å; V311-I464 HydrophobicContact CB-CD1 3.9Å; V311-I464 HydrophobicContact CG1-CD1 4.15Å; V311-I464 HydrophobicContact CG2-CD1 4.04Å; V311-A470 HydrophobicContact CG2-CB 4.32Å
312	Y	89.9	Confident	96.2	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.012	12%	0.119	C	C	.	.	S	Bend	trans	-69	-26.1	-176.9	-87.6	-112.8	0	0	0	113.3	A280 Y308 L309 N314 L424 F467 A470 R471 D474	A280-Y312 HydrophobicContact CB-CE1 4.19Å; Y308-Y312 HydrophobicContact CD1-CD1 4.36Å; Y308-Y312 AromaticContact CD1-CD2 3.81Å; Y308-Y312 HydrophobicContact CD1-CD2 3.81Å; Y308-Y312 HydrophobicContact CD1-CE1 4.24Å; Y308-Y312 AromaticContact CD1-CE2 3.68Å; Y308-Y312 HydrophobicContact CD1-CE2 3.68Å; Y308-Y312 HydrophobicContact CD1-CG 4.13Å; Y308-Y312 AromaticContact CD1-CZ 3.86Å; Y308-Y312 HydrophobicContact CE1-CE2 4.12Å; Y308-Y312 HydrophobicContact CG-CD2 4.42Å; Y308-Y312 WeakPolarHBondContact O-CB 3.4Å; Y308-Y312 VanDerWaalsContact O-CD2 3.24Å; Y308-Y312 WeakPolarHBondContact O-CD2 3.25Å; Y308-Y312 PolarHBondContact O-N 3.34Å; L309-Y312 HydrophobicContact CB-CD2 4.4Å; L309-Y312 HydrophobicContact CD1-CD2 4.37Å; L309-Y312 HydrophobicContact CD1-CE2 3.79Å; L309-Y312 HydrophobicContact CG-CD2 4.4Å; L309-Y312 HydrophobicContact CG-CE2 4.25Å; Y312-N314 WeakPolarHBondContact CB-OD1 3.21Å; Y312-N314 PolarHBondContact O-N 2.76Å; Y312-L424 HydrophobicContact CE2-CD2 4.38Å; Y312-F467 AromaticContact CD1-CD2 3.68Å; Y312-F467 HydrophobicContact CD1-CD2 3.68Å; Y312-F467 AromaticContact CD1-CE2 3.52Å; Y312-F467 HydrophobicContact CD1-CE2 3.52Å; Y312-F467 HydrophobicContact CD1-CG 4.5Å; Y312-F467 HydrophobicContact CD1-CZ 4.21Å; Y312-F467 HydrophobicContact CE1-CE2 4.16Å; Y312-F467 HydrophobicContact CE1-CZ 4.42Å; Y312-A470 HydrophobicContact CD1-CB 3.98Å; Y312-A470 HydrophobicContact CD2-CB 3.56Å; Y312-A470 HydrophobicContact CE1-CB 4.29Å; Y312-A470 HydrophobicContact CE2-CB 3.88Å; Y312-A470 HydrophobicContact CG-CB 3.65Å; Y312-R471 HydrophobicContact CE1-CB 3.81Å; Y312-R471 HydrophobicContact CE1-CG 4.4Å; Y312-R471 WeakPolarHBondContact OH-CA 3.43Å; Y312-D474 HydrophobicContact CE2-CB 4.08Å; Y312-D474 WeakPolarHBondContact OH-CB 3.15Å; Y312-D474 PolarHBondContact OH-OD2 3.13Å
313	N	94.1	Very high	95.9	Very high	131 Å²	131	30.8 Å²	30.8	70%	0.701	16%	0.157	S	C	*	.			trans	55.4	19.8	-177.6	-164.8	43.9	0	0	0	114.9	N307 V311	N307-N313 WeakPolarHBondContact OD1-CA 3.39Å; N307-N313 PolarHBondContact OD1-N 2.76Å; V311-N313 VanDerWaalsContact C-N 3.27Å; V311-N313 PolarHBondContact O-N 2.94Å
314	N	97.8	Very high	95.6	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.027	19%	0.19	C	C	.	.			trans	-72.1	160	175.6	65.8	-68.3	0	0	0	112	Q281 D282 A305 N307 Y308 Y312 F467	Q281-N314 WeakPolarHBondContact O-CB 3.44Å; D282-N314 WeakPolarHBondContact O-CA 3.42Å; A305-N314 PolarHBondContact O-ND2 2.82Å; N307-N314 PolarHBondContact N-O 3.22Å; N307-N314 PolarHBondContact N-OD1 2.91Å; Y308-N314 WeakPolarHBondContact CB-OD1 3.24Å; Y308-N314 PolarHBondContact N-OD1 2.82Å; Y312-N314 WeakPolarHBondContact CB-OD1 3.21Å; Y312-N314 PolarHBondContact O-N 2.76Å; N314-F467 HydrophobicContact CB-CD2 3.79Å; N314-F467 HydrophobicContact CB-CE2 3.81Å
315	K	98.4	Very high	95.4	Very high	82 Å²	82	41 Å²	41	36%	0.357	21%	0.214	S	C	.	.			trans	-80.3	159.6	162.1	-64.2	-179.7	-178.1	-64.1	0	110.4	D282 G284 N332	D282-K315 PolarHBondContact O-N 3.09Å; G284-K315 WeakPolarHBondContact CA-O 3.08Å; G284-K315 PolarHBondContact N-O 2.9Å; G284-K315 VanDerWaalsContact N-O 3.14Å; K315-N332 PolarHBondContact NZ-OD1 3.17Å
316	A	98.8	Very high	95.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	161.3	162.6	0	0	0	0	0	110.3	F303 S304 P306 Q330 F331	F303-A316 CarbonylContact O-C 3.13Å; F303-A316 WeakPolarHBondContact O-CA 3.44Å; S304-A316 VanDerWaalsContact C-CB 3.48Å; P306-A316 HydrophobicContact CB-CB 3.68Å; P306-A316 HydrophobicContact CG-CB 3.98Å; A316-Q330 CarbonylContact O-C 3.2Å; A316-Q330 WeakPolarHBondContact O-CA 3.43Å; A316-F331 HydrophobicContact CB-CD1 4.05Å; A316-F331 HydrophobicContact CB-CD2 4.09Å; A316-F331 HydrophobicContact CB-CE1 3.56Å; A316-F331 HydrophobicContact CB-CE2 3.62Å; A316-F331 HydrophobicContact CB-CG 4.29Å; A316-F331 HydrophobicContact CB-CZ 3.33Å; A316-F331 PolarHBondContact N-O 3.19Å; A316-F331 PolarHBondContact O-N 3.18Å
317	A	98.8	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.4	171.2	0	0	0	0	0	112.9	G284 Y285 I302 F303 S304 I328 R329 Q330	G284-A317 WeakPolarHBondContact O-CB 3.24Å; Y285-A317 HydrophobicContact CD1-CB 4.32Å; I302-A317 WeakPolarHBondContact CG2-O 3.36Å; F303-A317 PolarHBondContact O-N 2.8Å; S304-A317 PolarHBondContact OG-O 3Å; A317-I328 HydrophobicContact CB-CG2 3.66Å; A317-R329 CarbonylContact C-O 3.57Å; A317-R329 VanDerWaalsContact CA-O 3.28Å; A317-R329 WeakPolarHBondContact CA-O 3.48Å; A317-Q330 HydrophobicContact CB-CG 4.09Å
318	V	98.8	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.7	162.7	-64	0	0	0	0	109.8	T83 V84 C85 L98 V101 R329 F331	T83-V318 HydrophobicContact CG2-CB 3.8Å; T83-V318 HydrophobicContact CG2-CG1 4.35Å; T83-V318 HydrophobicContact CG2-CG2 3.9Å; V84-V318 WeakPolarHBondContact O-CA 3.15Å; C85-V318 HydrophobicContact CB-CG1 4.33Å; L98-V318 HydrophobicContact CD1-CG1 3.95Å; L98-V318 HydrophobicContact CD2-CG1 4.36Å; L98-V318 HydrophobicContact CG-CG1 3.76Å; V101-V318 HydrophobicContact CG1-CG2 4.4Å; V318-R329 HydrophobicContact CG2-CB 3.92Å; V318-R329 PolarHBondContact N-O 3.49Å; V318-R329 PolarHBondContact O-N 3.42Å; V318-F331 HydrophobicContact CG1-CE1 4.28Å
319	L	98.7	Very high	95.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114	175.9	-179.2	161.9	0	0	0	109.4	T83 V84 I275 I300 I302 M326 I328	T83-L319 CarbonylContact C-O 3.53Å; T83-L319 WeakPolarHBondContact CA-O 3.41Å; V84-L319 HydrophobicContact CB-CB 4.28Å; V84-L319 HydrophobicContact CG2-CD2 4.26Å; V84-L319 PolarHBondContact N-O 3.45Å; V84-L319 PolarHBondContact O-N 2.98Å; I275-L319 HydrophobicContact CD1-CD1 4.15Å; I300-L319 HydrophobicContact CD1-CD1 4.29Å; I300-L319 HydrophobicContact CG2-CD1 4.36Å; I302-L319 HydrophobicContact CD1-CB 3.9Å; I302-L319 HydrophobicContact CD1-CD1 4.21Å; I302-L319 HydrophobicContact CG1-CB 4.16Å; I302-L319 HydrophobicContact CG1-CD1 4.45Å; L319-M326 HydrophobicContact CD1-CG 4.49Å; L319-M326 HydrophobicContact CD1-SD 4.13Å; L319-M326 HydrophobicContact CD2-CG 4.03Å; L319-M326 HydrophobicContact CD2-SD 4.44Å; L319-M326 HydrophobicContact CG-CG 4.42Å; L319-I328 HydrophobicContact CB-CD1 3.77Å; L319-I328 HydrophobicContact CD1-CD1 4Å; L319-I328 HydrophobicContact CG-CD1 3.83Å
320	K	98.4	Very high	95.8	Very high	35 Å²	35	54.9 Å²	54.9	15%	0.152	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.9	172.2	-63.1	-165.2	63.4	158.4	0	109.5	T83 G102 N327 R329	T83-K320 HydrophobicContact CG2-CG 4.22Å; G102-K320 WeakPolarHBondContact O-CE 3.32Å; G102-K320 PolarHBondContact O-NZ 2.91Å; K320-N327 HydrophobicContact CB-CB 4.48Å; K320-N327 PolarHBondContact N-O 3.4Å; K320-N327 PolarHBondContact O-N 3.41Å; K320-R329 HydrophobicContact CD-CG 3.94Å; K320-R329 HydrophobicContact CG-CG 4.17Å
321	Y	98.1	Very high	96.2	Very high	8 Å²	8	52 Å²	52	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110.4	175.4	-176.3	-126.1	0	0	0	109.9	A80 P81 I82 N189 Q191 F192 N324 V325 M326	A80-Y321 HydrophobicContact CB-CD1 3.53Å; A80-Y321 HydrophobicContact CB-CE1 3.67Å; P81-Y321 CarbonylContact C-O 3.57Å; P81-Y321 WeakPolarHBondContact CA-O 3.29Å; I82-Y321 PolarHBondContact N-O 3.36Å; I82-Y321 PolarHBondContact O-N 3.03Å; N189-Y321 HydrophobicContact CB-CE1 3.99Å; N189-Y321 PolarHBondContact ND2-OH 3.42Å; Q191-Y321 PolarHBondContact OE1-OH 3.03Å; F192-Y321 HydrophobicContact CE2-CD1 4.36Å; F192-Y321 AromaticContact CE2-CE1 3.94Å; F192-Y321 HydrophobicContact CE2-CE1 3.94Å; F192-Y321 HydrophobicContact CE2-CE2 4.44Å; F192-Y321 AromaticContact CE2-CZ 3.98Å; Y321-N324 PolarHBondContact OH-OD1 3.16Å; Y321-V325 WeakPolarHBondContact CA-O 3.48Å; Y321-V325 WeakPolarHBondContact CD2-O 3.1Å; Y321-M326 HydrophobicContact CD2-CG 3.48Å; Y321-M326 VanDerWaalsContact CD2-CG 3.48Å; Y321-M326 HydrophobicContact CE2-CE 4.4Å; Y321-M326 HydrophobicContact CE2-CG 4.15Å; Y321-M326 HydrophobicContact CG-CG 4.21Å
322	E	95.4	Very high	96.8	Very high	73 Å²	73	54.5 Å²	54.5	34%	0.341	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144.6	-179	63.4	-170.6	178.2	0	0	109.7	P81 N324 V325	P81-E322 HydrophobicContact CB-CB 3.79Å; E322-N324 PolarHBondContact O-N 3.16Å; E322-V325 PolarHBondContact N-O 3.09Å; E322-V325 VanDerWaalsContact N-O 3.11Å; E322-V325 PolarHBondContact O-N 3.01Å
323	N	93.7	Very high	97.2	Very high	150 Å²	150	57.3 Å²	57.3	80%	0.802	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	38	178.7	-55	-46	0	0	0	114.2	V325	N323-V325 PolarHBondContact O-N 3.22Å
324	N	91.3	Very high	97.3	Very high	130 Å²	130	52.5 Å²	52.5	70%	0.695	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	17.5	-173.6	-62.2	-34.3	0	0	0	115.1	Y321 E322	Y321-N324 PolarHBondContact OH-OD1 3.16Å; E322-N324 PolarHBondContact O-N 3.16Å
325	V	95.3	Very high	97.3	Very high	89 Å²	89	58.1 Å²	58.1	54%	0.539	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.8	177.2	179.9	0	0	0	0	109.5	Y321 E322 N323	Y321-V325 WeakPolarHBondContact CA-O 3.48Å; Y321-V325 WeakPolarHBondContact CD2-O 3.1Å; E322-V325 PolarHBondContact N-O 3.09Å; E322-V325 VanDerWaalsContact N-O 3.11Å; E322-V325 PolarHBondContact O-N 3.01Å; N323-V325 PolarHBondContact O-N 3.22Å
326	M	95.6	Very high	97.3	Very high	45 Å²	45	57.3 Å²	57.3	22%	0.222	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.3	168.3	-82.4	176.9	-93.5	0	0	109.9	F192 F296 I300 L319 Y321	F192-M326 HydrophobicContact CE1-CE 3.69Å; F192-M326 HydrophobicContact CE1-SD 4.17Å; F192-M326 HydrophobicContact CE2-CE 4.4Å; F192-M326 HydrophobicContact CZ-CE 3.37Å; F192-M326 HydrophobicContact CZ-SD 4.06Å; F296-M326 HydrophobicContact CD2-CE 4.32Å; F296-M326 HydrophobicContact CE1-CE 3.75Å; F296-M326 HydrophobicContact CE1-SD 4.36Å; F296-M326 HydrophobicContact CE2-CE 3.25Å; F296-M326 HydrophobicContact CE2-SD 4.36Å; F296-M326 HydrophobicContact CZ-CE 2.93Å; F296-M326 HydrophobicContact CZ-SD 3.61Å; I300-M326 HydrophobicContact CD1-SD 4.2Å; L319-M326 HydrophobicContact CD1-CG 4.49Å; L319-M326 HydrophobicContact CD1-SD 4.13Å; L319-M326 HydrophobicContact CD2-CG 4.03Å; L319-M326 HydrophobicContact CD2-SD 4.44Å; L319-M326 HydrophobicContact CG-CG 4.42Å; Y321-M326 HydrophobicContact CD2-CG 3.48Å; Y321-M326 VanDerWaalsContact CD2-CG 3.48Å; Y321-M326 HydrophobicContact CE2-CE 4.4Å; Y321-M326 HydrophobicContact CE2-CG 4.15Å; Y321-M326 HydrophobicContact CG-CG 4.21Å
327	N	97.1	Very high	97.2	Very high	55 Å²	55	58.8 Å²	58.8	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.7	178.5	-171.5	-17	0	0	0	109.6	K320 R329	K320-N327 HydrophobicContact CB-CB 4.48Å; K320-N327 PolarHBondContact N-O 3.4Å; K320-N327 PolarHBondContact O-N 3.41Å; N327-R329 PolarHBondContact ND2-NE 2.72Å; N327-R329 PolarHBondContact ND2-NH2 3.33Å
328	I	98.3	Very high	96.9	Very high	33 Å²	33	65.5 Å²	65.5	17%	0.169	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.8	174.9	-55.9	-58.9	0	0	0	108.9	Y285 M287 I302 A317 L319 Q330	Y285-I328 HydrophobicContact CD1-CG2 3.56Å; Y285-I328 HydrophobicContact CD2-CG1 4.18Å; Y285-I328 HydrophobicContact CD2-CG2 4.3Å; Y285-I328 HydrophobicContact CE1-CG2 3.86Å; Y285-I328 HydrophobicContact CE2-CG1 4.3Å; Y285-I328 HydrophobicContact CG-CG1 4.46Å; Y285-I328 HydrophobicContact CG-CG2 3.79Å; M287-I328 HydrophobicContact CE-CD1 3.7Å; M287-I328 HydrophobicContact CE-CG1 3.69Å; I302-I328 HydrophobicContact CD1-CD1 3.8Å; A317-I328 HydrophobicContact CB-CG2 3.66Å; L319-I328 HydrophobicContact CB-CD1 3.77Å; L319-I328 HydrophobicContact CD1-CD1 4Å; L319-I328 HydrophobicContact CG-CD1 3.83Å; I328-Q330 HydrophobicContact CG2-CG 4.38Å
329	R	98.4	Very high	96.6	Very high	114 Å²	114	68 Å²	68	43%	0.43	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	108.4	176.7	-62.3	-65.8	-171.8	161.2	1.6	109.1	V101 A317 V318 K320 N327	V101-R329 HydrophobicContact CG1-CB 3.67Å; A317-R329 CarbonylContact C-O 3.57Å; A317-R329 VanDerWaalsContact CA-O 3.28Å; A317-R329 WeakPolarHBondContact CA-O 3.48Å; V318-R329 HydrophobicContact CG2-CB 3.92Å; V318-R329 PolarHBondContact N-O 3.49Å; V318-R329 PolarHBondContact O-N 3.42Å; K320-R329 HydrophobicContact CD-CG 3.94Å; K320-R329 HydrophobicContact CG-CG 4.17Å; N327-R329 PolarHBondContact ND2-NE 2.72Å; N327-R329 PolarHBondContact ND2-NH2 3.33Å
330	Q	98.6	Very high	96.1	Very high	88 Å²	88	69 Å²	69	41%	0.411	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	151.6	177.3	-62.7	174.8	-79	0	0	111.9	A283 Y285 A316 A317 I328	A283-Q330 PolarHBondContact O-NE2 3.23Å; Y285-Q330 HydrophobicContact CD1-CG 4.45Å; Y285-Q330 HydrophobicContact CE1-CG 4.35Å; A316-Q330 CarbonylContact O-C 3.2Å; A316-Q330 WeakPolarHBondContact O-CA 3.43Å; A317-Q330 HydrophobicContact CB-CG 4.09Å; I328-Q330 HydrophobicContact CG2-CG 4.38Å
331	F	98.7	Very high	95.4	Very high	10 Å²	10	67.5 Å²	67.5	4%	0.044	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.7	173	63	-81.8	0	0	0	111.7	K97 L98 V101 S304 P306 A316 V318	K97-F331 HydrophobicContact CB-CD2 4.35Å; K97-F331 HydrophobicContact CG-CB 4.39Å; K97-F331 HydrophobicContact CG-CD2 3.89Å; K97-F331 HydrophobicContact CG-CG 4.42Å; L98-F331 HydrophobicContact CB-CE1 4.44Å; L98-F331 HydrophobicContact CB-CE2 4.45Å; L98-F331 HydrophobicContact CB-CZ 3.93Å; L98-F331 HydrophobicContact CD1-CZ 4.29Å; L98-F331 HydrophobicContact CG-CZ 4.33Å; V101-F331 HydrophobicContact CG1-CD1 4.48Å; V101-F331 HydrophobicContact CG2-CB 4.01Å; V101-F331 HydrophobicContact CG2-CG 4.44Å; S304-F331 WeakPolarHBondContact O-CZ 3.47Å; P306-F331 HydrophobicContact CG-CD2 4.18Å; P306-F331 HydrophobicContact CG-CE2 3.87Å; A316-F331 HydrophobicContact CB-CD1 4.05Å; A316-F331 HydrophobicContact CB-CD2 4.09Å; A316-F331 HydrophobicContact CB-CE1 3.56Å; A316-F331 HydrophobicContact CB-CE2 3.62Å; A316-F331 HydrophobicContact CB-CG 4.29Å; A316-F331 HydrophobicContact CB-CZ 3.33Å; A316-F331 PolarHBondContact N-O 3.19Å; A316-F331 PolarHBondContact O-N 3.18Å; V318-F331 HydrophobicContact CG1-CE1 4.28Å
332	N	98.4	Very high	94.7	Very high	94 Å²	94	69.3 Å²	69.3	50%	0.503	36%	0.358	S	S	.	.			trans	-100.6	169.5	177.9	-57.9	-37.8	0	0	0	110.3	K315	K315-N332 PolarHBondContact NZ-OD1 3.17Å
333	C	97.9	Very high	94.3	Very high	61 Å²	61	66.2 Å²	66.2	41%	0.412	34%	0.343	S	S	.	.			trans	-66.9	156.5	179.4	66.3	0	0	0	0	113.2	D94 P306 N307	D94-C333 VanDerWaalsContact OD1-CA 3.28Å; D94-C333 WeakPolarHBondContact OD1-CA 3.33Å; P306-C333 HydrophobicContact CB-CB 4.02Å; P306-C333 HydrophobicContact CG-CB 3.94Å; N307-C333 HydrophobicContact CB-CB 3.62Å
334	S	97.8	Very high	94	Very high	30 Å²	30	61.1 Å²	61.1	21%	0.21	32%	0.315	C	S	.	.			trans	-111.9	148.4	177.1	-54.2	0	0	0	0	109.5	D94 H336	D94-S334 WeakPolarHBondContact OD1-CB 3.49Å; D94-S334 PolarHBondContact OD1-N 2.71Å; D94-S334 PolarHBondContact OD1-OG 2.65Å; S334-H336 PolarHBondContact O-N 2.79Å
335	P	97.6	Very high	94	Very high	123 Å²	123	58.5 Å²	58.5	80%	0.799	30%	0.301	S	S	*	.			trans	-59.2	139.5	171.9	-21.4	32.7	0	0	0	111
336	H	97.1	Very high	93.8	Very high	65 Å²	65	58.6 Å²	58.6	30%	0.301	30%	0.301	S	S	.	.			trans	-132.2	159.1	171.7	62.9	82.9	0	0	0	110.7	F93 F122 D310 S334	F93-H336 HydrophobicContact CB-CB 4.08Å; F93-H336 HydrophobicContact CD2-CB 3.45Å; F93-H336 VanDerWaalsContact CD2-CB 3.45Å; F93-H336 HydrophobicContact CE2-CB 4.06Å; F93-H336 HydrophobicContact CG-CB 3.77Å; F122-H336 HydrophobicContact CE2-CB 3.99Å; F122-H336 AromaticContact CE2-ND1 3.83Å; D310-H336 IonicContact OD1-CE1 2.8Å; D310-H336 IonicContact OD1-NE2 3.3Å; D310-H336 PolarHBondContact OD1-NE2 2.99Å; D310-H336 IonicContact OD2-CE1 2.76Å; D310-H336 IonicContact OD2-NE2 3.76Å; S334-H336 PolarHBondContact O-N 2.79Å
337	P	96.9	Very high	93.6	Very high	32 Å²	32	63.9 Å²	63.9	21%	0.208	32%	0.324	C	S	.	.			trans	-60	147.3	173.8	-22.7	33.7	0	0	0	112.3	E50 F93 F122	E50-P337 HydrophobicContact CG-CB 4.16Å; E50-P337 HydrophobicContact CG-CG 3.61Å; E50-P337 WeakPolarHBondContact OE1-CB 3.44Å; E50-P337 WeakPolarHBondContact OE2-CB 3.45Å; E50-P337 WeakPolarHBondContact OE2-CG 3.49Å; F93-P337 HydrophobicContact CE1-CG 4.38Å; F93-P337 HydrophobicContact CE2-CG 4.09Å; F93-P337 HydrophobicContact CZ-CG 3.69Å; F122-P337 HydrophobicContact CE1-CB 4.5Å; F122-P337 HydrophobicContact CE1-CG 4.42Å; F122-P337 HydrophobicContact CZ-CB 3.98Å; F122-P337 HydrophobicContact CZ-CG 4.12Å; F122-P337 WeakPolarHBondContact CZ-O 3.41Å
338	Y	93.9	Very high	93.1	Very high	140 Å²	140	65.1 Å²	65.1	55%	0.549	33%	0.333	S	S	.	.			trans	-86.6	131.1	179.8	-179	-88.7	0	0	0	110.9	L340 L419 K422	Y338-L340 HydrophobicContact CE1-CD2 3.97Å; Y338-L340 HydrophobicContact CE1-CG 4.13Å; Y338-L419 WeakPolarHBondContact OH-CD2 3.34Å; Y338-K422 VanDerWaalsContact CD2-NZ 3.27Å; Y338-K422 HydrophobicContact CE2-CD 4.07Å
339	W	91.8	Very high	92.4	Very high	53 Å²	53	68.4 Å²	68.4	20%	0.201	34%	0.344	C	S	.	.			trans	-119.1	142.7	167	-82.8	89.4	0	0	0	109.6	Y121 F122 F343 K422	Y121-W339 HydrophobicContact CD2-CB 3.46Å; Y121-W339 VanDerWaalsContact CD2-CB 3.46Å; Y121-W339 HydrophobicContact CD2-CG 4.43Å; Y121-W339 HydrophobicContact CE2-CB 4.11Å; Y121-W339 HydrophobicContact CG-CB 4.25Å; F122-W339 AromaticContact CE1-NE1 3.87Å; F122-W339 AromaticContact CZ-CD1 3.78Å; W339-F343 AromaticContact CD2-CD1 3.83Å; W339-F343 HydrophobicContact CD2-CD1 3.83Å; W339-F343 HydrophobicContact CD2-CE1 4.28Å; W339-F343 HydrophobicContact CE3-CB 4.13Å; W339-F343 AromaticContact CE3-CD1 3.54Å; W339-F343 HydrophobicContact CE3-CD1 3.54Å; W339-F343 HydrophobicContact CE3-CE1 4.43Å; W339-F343 HydrophobicContact CE3-CG 4.28Å; W339-F343 HydrophobicContact CG-CD1 4.41Å; W339-F343 HydrophobicContact CH2-CD1 4.38Å; W339-F343 HydrophobicContact CZ3-CB 4.14Å; W339-F343 AromaticContact CZ3-CD1 3.84Å; W339-F343 HydrophobicContact CZ3-CD1 3.84Å; W339-K422 WeakPolarHBondContact O-CE 3.32Å; W339-K422 PolarHBondContact O-NZ 3.28Å
340	L	88.1	Confident	91.8	Very high	20 Å²	20	64.9 Å²	64.9	11%	0.105	34%	0.336	C	S	.	.			trans	-67.1	153.9	168.5	-76.3	168.8	0	0	0	109.8	Y338 N342 F343 M344 V346 W349 L419	Y338-L340 HydrophobicContact CE1-CD2 3.97Å; Y338-L340 HydrophobicContact CE1-CG 4.13Å; L340-N342 PolarHBondContact O-N 3.39Å; L340-F343 PolarHBondContact O-N 3.3Å; L340-F343 VanDerWaalsContact O-N 3.16Å; L340-M344 HydrophobicContact CB-CB 4.27Å; L340-M344 WeakPolarHBondContact CB-O 3.19Å; L340-M344 WeakPolarHBondContact CD1-O 3.19Å; L340-V346 HydrophobicContact CD1-CG1 4.24Å; L340-W349 HydrophobicContact CD1-CB 3.88Å; L340-W349 HydrophobicContact CD1-CD2 4.33Å; L340-W349 HydrophobicContact CD1-CE3 4.47Å; L340-W349 HydrophobicContact CD1-CG 4.08Å; L340-W349 HydrophobicContact CD2-CD2 4.29Å; L340-W349 HydrophobicContact CD2-CG 4.3Å; L340-L419 HydrophobicContact CD2-CD2 3.85Å
341	P	84.2	Confident	91.2	Very high	5 Å²	5	66 Å²	66	3%	0.032	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-49.1	136.2	175.9	-28.5	35.4	0	0	0	112.9	Y121 F343 M344 V418 L419 K422	Y121-P341 VanDerWaalsContact OH-CA 3.32Å; Y121-P341 WeakPolarHBondContact OH-CA 3.5Å; P341-F343 PolarHBondContact O-N 3.1Å; P341-M344 WeakPolarHBondContact O-CB 3.39Å; P341-M344 PolarHBondContact O-N 3.49Å; P341-V418 HydrophobicContact CB-CG1 3.57Å; P341-V418 HydrophobicContact CG-CG1 3.98Å; P341-L419 HydrophobicContact CG-CD2 3.93Å; P341-L419 HydrophobicContact CG-CG 4.46Å; P341-K422 HydrophobicContact CG-CG 4.3Å
342	N	82.6	Confident	90.3	Very high	46 Å²	46	66.3 Å²	66.3	25%	0.246	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	56.8	29.2	178.8	-62.5	-15.4	0	0	0	115	Y121 T158 L340 M344 P426	Y121-N342 PolarHBondContact OH-N 3.18Å; T158-N342 WeakPolarHBondContact CG2-OD1 3.36Å; L340-N342 PolarHBondContact O-N 3.39Å; N342-M344 PolarHBondContact O-N 3.07Å; N342-P426 PolarHBondContact ND2-O 3.39Å; N342-P426 PolarHBondContact OD1-O 2.93Å
343	F	88	Confident	89.6	Confident	7 Å²	7	66.1 Å²	66.1	3%	0.031	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	57.3	28.2	-179.5	-54.6	-90	0	0	0	113.1	Y121 Q161 E162 I165 W339 L340 P341	Y121-F343 HydrophobicContact CD1-CE1 4.46Å; Y121-F343 AromaticContact CD1-CE2 3.99Å; Y121-F343 HydrophobicContact CD1-CE2 3.99Å; Y121-F343 AromaticContact CD1-CZ 3.77Å; Y121-F343 HydrophobicContact CD1-CZ 3.77Å; Y121-F343 HydrophobicContact CE1-CE2 4.5Å; Y121-F343 HydrophobicContact CG-CE1 4.17Å; Y121-F343 HydrophobicContact CG-CE2 4.49Å; Y121-F343 AromaticContact CG-CZ 3.92Å; Y121-F343 HydrophobicContact CG-CZ 3.92Å; Q161-F343 HydrophobicContact CG-CD2 4.41Å; E162-F343 HydrophobicContact CB-CD2 4.33Å; E162-F343 HydrophobicContact CB-CE1 4.35Å; E162-F343 HydrophobicContact CB-CE2 3.47Å; E162-F343 VanDerWaalsContact CB-CE2 3.47Å; E162-F343 HydrophobicContact CB-CZ 3.48Å; E162-F343 VanDerWaalsContact CB-CZ 3.48Å; E162-F343 HydrophobicContact CG-CE1 3.93Å; E162-F343 HydrophobicContact CG-CE2 3.95Å; E162-F343 HydrophobicContact CG-CZ 3.39Å; I165-F343 HydrophobicContact CB-CB 4.27Å; I165-F343 HydrophobicContact CG1-CB 3.99Å; I165-F343 HydrophobicContact CG2-CB 4.02Å; W339-F343 AromaticContact CD2-CD1 3.83Å; W339-F343 HydrophobicContact CD2-CD1 3.83Å; W339-F343 HydrophobicContact CD2-CE1 4.28Å; W339-F343 HydrophobicContact CE3-CB 4.13Å; W339-F343 AromaticContact CE3-CD1 3.54Å; W339-F343 HydrophobicContact CE3-CD1 3.54Å; W339-F343 HydrophobicContact CE3-CE1 4.43Å; W339-F343 HydrophobicContact CE3-CG 4.28Å; W339-F343 HydrophobicContact CG-CD1 4.41Å; W339-F343 HydrophobicContact CH2-CD1 4.38Å; W339-F343 HydrophobicContact CZ3-CB 4.14Å; W339-F343 AromaticContact CZ3-CD1 3.84Å; W339-F343 HydrophobicContact CZ3-CD1 3.84Å; L340-F343 PolarHBondContact O-N 3.3Å; L340-F343 VanDerWaalsContact O-N 3.16Å; P341-F343 PolarHBondContact O-N 3.1Å
344	M	86.3	Confident	89.1	Confident	43 Å²	43	66.7 Å²	66.7	21%	0.212	34%	0.344	C	S	.	.			trans	-61.5	136.8	179.1	-167.1	-174.5	-38	0	0	110.7	L340 P341 N342 T348 W349	L340-M344 HydrophobicContact CB-CB 4.27Å; L340-M344 WeakPolarHBondContact CB-O 3.19Å; L340-M344 WeakPolarHBondContact CD1-O 3.19Å; P341-M344 WeakPolarHBondContact O-CB 3.39Å; P341-M344 PolarHBondContact O-N 3.49Å; N342-M344 PolarHBondContact O-N 3.07Å; M344-T348 HydrophobicContact CG-CG2 3.64Å; M344-T348 HydrophobicContact SD-CG2 3.85Å; M344-W349 HydrophobicContact CG-CB 4.32Å; M344-W349 WeakPolarHBondContact SD-CA 3.47Å; M344-W349 HydrophobicContact SD-CB 3.6Å; M344-W349 HydrophobicContact SD-CG 4.43Å; M344-W349 PolarHBondContact SD-N 3.37Å
345	D	90.9	Very high	88.4	Confident	75 Å²	75	65.8 Å²	65.8	40%	0.401	34%	0.34	S	S	.	.			trans	-77.9	159.9	172.1	73.4	89.1	0	0	0	111.4	F347 T348 W349	D345-F347 PolarHBondContact O-N 3.3Å; D345-F347 WeakPolarHBondContact OD1-CA 3.44Å; D345-F347 WeakPolarHBondContact OD1-CB 3.45Å; D345-F347 PolarHBondContact OD1-N 2.91Å; D345-T348 PolarHBondContact O-N 3.23Å; D345-T348 PolarHBondContact OD1-N 3.16Å; D345-T348 WeakPolarHBondContact OD2-CB 3.35Å; D345-T348 PolarHBondContact OD2-OG1 2.7Å; D345-W349 PolarHBondContact O-N 2.84Å
346	V	91.9	Very high	87.6	Confident	91 Å²	91	61 Å²	61	55%	0.552	31%	0.306	S	S	*	.	H	α-helix	trans	-64.8	-23.8	-175.6	-64.1	0	0	0	0	113.6	L340 S350	L340-V346 HydrophobicContact CD1-CG1 4.24Å; V346-S350 VanDerWaalsContact O-CB 3.24Å; V346-S350 WeakPolarHBondContact O-CB 3.44Å; V346-S350 PolarHBondContact O-N 3.42Å; V346-S350 PolarHBondContact O-OG 3.33Å
347	F	91.3	Very high	87	Confident	157 Å²	157	61.3 Å²	61.3	69%	0.689	31%	0.307	S	S	*	.	H	α-helix	trans	-74.7	-50.7	175.5	-61.3	-74.8	0	0	0	110.2	D345 W349 S350 L351	D345-F347 PolarHBondContact O-N 3.3Å; D345-F347 WeakPolarHBondContact OD1-CA 3.44Å; D345-F347 WeakPolarHBondContact OD1-CB 3.45Å; D345-F347 PolarHBondContact OD1-N 2.91Å; F347-W349 PolarHBondContact O-N 3.34Å; F347-S350 PolarHBondContact O-N 3.21Å; F347-L351 WeakPolarHBondContact O-CB 3.45Å; F347-L351 PolarHBondContact O-N 3.02Å
348	T	85.6	Confident	86.7	Confident	81 Å²	81	63.3 Å²	63.3	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-55.2	-40	176.7	-60.4	0	0	0	0	111.1	M344 D345 P352	M344-T348 HydrophobicContact CG-CG2 3.64Å; M344-T348 HydrophobicContact SD-CG2 3.85Å; D345-T348 PolarHBondContact O-N 3.23Å; D345-T348 PolarHBondContact OD1-N 3.16Å; D345-T348 WeakPolarHBondContact OD2-CB 3.35Å; D345-T348 PolarHBondContact OD2-OG1 2.7Å; T348-P352 VanDerWaalsContact O-CD 3.32Å; T348-P352 WeakPolarHBondContact O-CD 3.34Å
349	W	84.3	Confident	86	Confident	102 Å²	102	57.2 Å²	57.2	39%	0.386	30%	0.296	S	S	.	.	H	α-helix	trans	-68.3	-47.3	177.5	174.9	60.8	0	0	0	114.1	L340 M344 D345 F347 N415 L419	L340-W349 HydrophobicContact CD1-CB 3.88Å; L340-W349 HydrophobicContact CD1-CD2 4.33Å; L340-W349 HydrophobicContact CD1-CE3 4.47Å; L340-W349 HydrophobicContact CD1-CG 4.08Å; L340-W349 HydrophobicContact CD2-CD2 4.29Å; L340-W349 HydrophobicContact CD2-CG 4.3Å; M344-W349 HydrophobicContact CG-CB 4.32Å; M344-W349 WeakPolarHBondContact SD-CA 3.47Å; M344-W349 HydrophobicContact SD-CB 3.6Å; M344-W349 HydrophobicContact SD-CG 4.43Å; M344-W349 PolarHBondContact SD-N 3.37Å; D345-W349 PolarHBondContact O-N 2.84Å; F347-W349 PolarHBondContact O-N 3.34Å; W349-N415 PolarHBondContact O-ND2 3.08Å; W349-L419 HydrophobicContact CZ2-CD1 3.87Å
350	S	85.2	Confident	85.6	Confident	39 Å²	39	58.6 Å²	58.6	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-89	-22.8	-170.2	64.3	0	0	0	0	114.2	V346 F347 F353 V354	V346-S350 VanDerWaalsContact O-CB 3.24Å; V346-S350 WeakPolarHBondContact O-CB 3.44Å; V346-S350 PolarHBondContact O-N 3.42Å; V346-S350 PolarHBondContact O-OG 3.33Å; F347-S350 PolarHBondContact O-N 3.21Å; S350-F353 WeakPolarHBondContact O-CB 3.39Å; S350-F353 PolarHBondContact O-N 3.08Å; S350-F353 VanDerWaalsContact O-N 3.11Å; S350-V354 WeakPolarHBondContact O-CG2 3.46Å; S350-V354 PolarHBondContact O-N 2.85Å
351	L	85.9	Confident	85.5	Confident	113 Å²	113	63.5 Å²	63.5	59%	0.592	33%	0.328	S	S	*	.	H	α-helix	trans	-59.5	-40.4	-175.5	-174.8	65.4	0	0	0	113.1	F347 F353 V354 G355	F347-L351 WeakPolarHBondContact O-CB 3.45Å; F347-L351 PolarHBondContact O-N 3.02Å; L351-F353 VanDerWaalsContact C-N 3.34Å; L351-F353 PolarHBondContact O-N 3.4Å; L351-V354 PolarHBondContact O-N 3.22Å; L351-G355 PolarHBondContact O-N 3.44Å
352	P	81.2	Confident	85.4	Confident	16 Å²	16	67.1 Å²	67.1	10%	0.104	35%	0.347	C	S	.	.	H	α-helix	trans	-59.2	-43.3	173.8	-27	37.1	0	0	0	113.2	T348 G355 E356 F408 L411	T348-P352 VanDerWaalsContact O-CD 3.32Å; T348-P352 WeakPolarHBondContact O-CD 3.34Å; P352-G355 PolarHBondContact O-N 3.21Å; P352-E356 PolarHBondContact O-N 3.36Å; P352-F408 WeakPolarHBondContact O-CD1 3.33Å; P352-L411 HydrophobicContact CB-CB 3.81Å; P352-L411 HydrophobicContact CG-CB 4.28Å
353	F	82.8	Confident	85.2	Confident	90 Å²	90	66.9 Å²	66.9	40%	0.395	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-46	177.4	174.7	-92.6	0	0	0	111.9	S350 L351 G355 E356 K357 R412	S350-F353 WeakPolarHBondContact O-CB 3.39Å; S350-F353 PolarHBondContact O-N 3.08Å; S350-F353 VanDerWaalsContact O-N 3.11Å; L351-F353 VanDerWaalsContact C-N 3.34Å; L351-F353 PolarHBondContact O-N 3.4Å; F353-G355 VanDerWaalsContact C-N 3.33Å; F353-G355 PolarHBondContact O-N 2.92Å; F353-E356 PolarHBondContact O-N 2.9Å; F353-K357 HydrophobicContact CD1-CG 4.32Å; F353-K357 HydrophobicContact CD2-CG 4.4Å; F353-K357 HydrophobicContact CE1-CG 3.89Å; F353-K357 HydrophobicContact CE2-CD 4.38Å; F353-K357 HydrophobicContact CE2-CG 3.99Å; F353-K357 HydrophobicContact CZ-CD 4.25Å; F353-K357 HydrophobicContact CZ-CG 3.71Å; F353-K357 WeakPolarHBondContact O-CG 3.45Å; F353-K357 PolarHBondContact O-N 3.36Å; F353-R412 HydrophobicContact CD2-CG 4.48Å
354	V	88.3	Confident	84.8	Confident	72 Å²	72	70.8 Å²	70.8	44%	0.436	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-46	176.7	173.9	0	0	0	0	110.1	S350 L351 E356 K357 V358	S350-V354 WeakPolarHBondContact O-CG2 3.46Å; S350-V354 PolarHBondContact O-N 2.85Å; L351-V354 PolarHBondContact O-N 3.22Å; V354-E356 PolarHBondContact O-N 3.19Å; V354-K357 PolarHBondContact O-N 3.24Å; V354-V358 HydrophobicContact CG1-CG2 4.2Å; V354-V358 WeakPolarHBondContact O-CB 3.41Å; V354-V358 VanDerWaalsContact O-CG2 3.3Å; V354-V358 WeakPolarHBondContact O-CG2 3.5Å; V354-V358 PolarHBondContact O-N 2.99Å
355	G	82.1	Confident	84.5	Confident	12 Å²	12	72.3 Å²	72.3	12%	0.124	38%	0.38	C	S	.	.	H	α-helix	trans	-57.3	-45.9	176.4	0	0	0	0	0	112.6	L351 P352 F353 T359	L351-G355 PolarHBondContact O-N 3.44Å; P352-G355 PolarHBondContact O-N 3.21Å; F353-G355 VanDerWaalsContact C-N 3.33Å; F353-G355 PolarHBondContact O-N 2.92Å; G355-T359 WeakPolarHBondContact O-CB 3.41Å; G355-T359 PolarHBondContact O-N 3.36Å; G355-T359 PolarHBondContact O-OG1 3.42Å
356	E	81.3	Confident	83.6	Confident	21 Å²	21	72 Å²	72	10%	0.098	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-53.9	175.5	-172.9	-164.4	124.1	0	0	111	P352 F353 V354 V358 T359 E360 F408 R412	P352-E356 PolarHBondContact O-N 3.36Å; F353-E356 PolarHBondContact O-N 2.9Å; V354-E356 PolarHBondContact O-N 3.19Å; E356-V358 PolarHBondContact O-N 2.86Å; E356-T359 CarbonylContact O-C 3.56Å; E356-T359 PolarHBondContact O-N 2.97Å; E356-E360 WeakPolarHBondContact O-CB 3.34Å; E356-E360 PolarHBondContact O-N 3.25Å; E356-F408 HydrophobicContact CB-CB 3.73Å; E356-F408 HydrophobicContact CG-CB 4.49Å; E356-R412 IonicContact OE1-NH1 3.68Å; E356-R412 PolarHBondContact OE1-NH1 3Å; E356-R412 WeakPolarHBondContact OE2-CD 3.29Å; E356-R412 IonicContact OE2-NE 3.6Å; E356-R412 IonicContact OE2-NH1 3.52Å
357	K	85.2	Confident	82.5	Confident	72 Å²	72	72.4 Å²	72.4	31%	0.313	38%	0.377	S	S	.	.	H	α-helix	trans	-68.4	-38.1	-172.4	-66.4	-68	154.1	-138.7	0	112.8	F353 V354 E360 M361	F353-K357 HydrophobicContact CD1-CG 4.32Å; F353-K357 HydrophobicContact CD2-CG 4.4Å; F353-K357 HydrophobicContact CE1-CG 3.89Å; F353-K357 HydrophobicContact CE2-CD 4.38Å; F353-K357 HydrophobicContact CE2-CG 3.99Å; F353-K357 HydrophobicContact CZ-CD 4.25Å; F353-K357 HydrophobicContact CZ-CG 3.71Å; F353-K357 WeakPolarHBondContact O-CG 3.45Å; F353-K357 PolarHBondContact O-N 3.36Å; V354-K357 PolarHBondContact O-N 3.24Å; K357-E360 IonicContact NZ-OE2 3.98Å; K357-E360 PolarHBondContact NZ-OE2 3.18Å; K357-M361 VanDerWaalsContact O-CB 3.32Å; K357-M361 WeakPolarHBondContact O-CB 3.42Å; K357-M361 PolarHBondContact O-N 2.64Å
358	V	89.4	Confident	81.4	Confident	75 Å²	75	70.9 Å²	70.9	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-65.4	-42.6	172.8	174.3	0	0	0	0	110.4	V354 E356 M361 L362	V354-V358 HydrophobicContact CG1-CG2 4.2Å; V354-V358 WeakPolarHBondContact O-CB 3.41Å; V354-V358 VanDerWaalsContact O-CG2 3.3Å; V354-V358 WeakPolarHBondContact O-CG2 3.5Å; V354-V358 PolarHBondContact O-N 2.99Å; E356-V358 PolarHBondContact O-N 2.86Å; V358-M361 PolarHBondContact O-N 3.02Å; V358-L362 HydrophobicContact CG1-CD1 4.12Å; V358-L362 HydrophobicContact CG1-CG 4.45Å; V358-L362 VanDerWaalsContact O-CG 3.29Å; V358-L362 WeakPolarHBondContact O-CG 3.31Å; V358-L362 PolarHBondContact O-N 3.04Å
359	T	80.9	Confident	80	Confident	11 Å²	11	70.4 Å²	70.4	7%	0.067	37%	0.373	C	S	.	.	H	α-helix	trans	-64.6	-45	178	-56.6	0	0	0	0	111.2	G355 E356 M361 L362 V363 I401 M404 A405	G355-T359 WeakPolarHBondContact O-CB 3.41Å; G355-T359 PolarHBondContact O-N 3.36Å; G355-T359 PolarHBondContact O-OG1 3.42Å; E356-T359 CarbonylContact O-C 3.56Å; E356-T359 PolarHBondContact O-N 2.97Å; T359-M361 VanDerWaalsContact C-N 3.35Å; T359-M361 PolarHBondContact O-N 3.29Å; T359-L362 PolarHBondContact O-N 3.45Å; T359-V363 WeakPolarHBondContact O-CG2 3.2Å; T359-V363 PolarHBondContact O-N 3.44Å; T359-I401 HydrophobicContact CG2-CG2 3.62Å; T359-I401 WeakPolarHBondContact CG2-O 3.34Å; T359-M404 HydrophobicContact CG2-CB 4.32Å; T359-A405 HydrophobicContact CG2-CB 3.7Å
360	E	81.9	Confident	78.6	Confident	83 Å²	83	68 Å²	68	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-45.9	175.6	-175.4	-174.3	173.1	0	0	111.2	E356 K357 L362 V363 N364	E356-E360 WeakPolarHBondContact O-CB 3.34Å; E356-E360 PolarHBondContact O-N 3.25Å; K357-E360 IonicContact NZ-OE2 3.98Å; K357-E360 PolarHBondContact NZ-OE2 3.18Å; E360-L362 PolarHBondContact O-N 3Å; E360-V363 PolarHBondContact O-N 3.39Å; E360-N364 WeakPolarHBondContact O-CB 3.24Å; E360-N364 VanDerWaalsContact O-CG 3.24Å; E360-N364 PolarHBondContact O-N 2.68Å; E360-N364 PolarHBondContact O-ND2 2.97Å
361	M	86.2	Confident	77.2	Confident	123 Å²	123	71.8 Å²	71.8	61%	0.606	39%	0.39	S	S	*	.	H	α-helix	trans	-57.9	-47.3	173.8	178.1	-173.8	170	0	0	111.3	K357 V358 T359 N364 V365	K357-M361 VanDerWaalsContact O-CB 3.32Å; K357-M361 WeakPolarHBondContact O-CB 3.42Å; K357-M361 PolarHBondContact O-N 2.64Å; V358-M361 PolarHBondContact O-N 3.02Å; T359-M361 VanDerWaalsContact C-N 3.35Å; T359-M361 PolarHBondContact O-N 3.29Å; M361-N364 PolarHBondContact O-N 2.85Å; M361-V365 HydrophobicContact CG-CG2 4.46Å; M361-V365 VanDerWaalsContact O-CG2 3.31Å; M361-V365 WeakPolarHBondContact O-CG2 3.48Å; M361-V365 PolarHBondContact O-N 2.87Å
362	L	82.1	Confident	75.4	Confident	81 Å²	81	72.4 Å²	72.4	42%	0.424	39%	0.393	S	S	.	.	H	α-helix	trans	-64.7	-39.5	179.2	-71.3	173.4	0	0	0	112.3	V358 T359 E360 N364 V365 L366	V358-L362 HydrophobicContact CG1-CD1 4.12Å; V358-L362 HydrophobicContact CG1-CG 4.45Å; V358-L362 VanDerWaalsContact O-CG 3.29Å; V358-L362 WeakPolarHBondContact O-CG 3.31Å; V358-L362 PolarHBondContact O-N 3.04Å; T359-L362 PolarHBondContact O-N 3.45Å; E360-L362 PolarHBondContact O-N 3Å; L362-N364 VanDerWaalsContact C-N 3.34Å; L362-V365 PolarHBondContact O-N 3.33Å; L362-L366 WeakPolarHBondContact O-CB 3.33Å; L362-L366 VanDerWaalsContact O-CG 3.23Å; L362-L366 WeakPolarHBondContact O-CG 3.38Å; L362-L366 PolarHBondContact O-N 3.16Å
363	V	78.1	Confident	74.1	Confident	40 Å²	40	77.3 Å²	77.3	24%	0.242	42%	0.415	C	S	.	.	H	α-helix	trans	-59.4	-48.2	172.6	171.1	0	0	0	0	110.1	T359 E360 V365 L366 N367 I401	T359-V363 WeakPolarHBondContact O-CG2 3.2Å; T359-V363 PolarHBondContact O-N 3.44Å; E360-V363 PolarHBondContact O-N 3.39Å; V363-V365 VanDerWaalsContact C-N 3.34Å; V363-V365 PolarHBondContact O-N 2.75Å; V363-L366 PolarHBondContact O-N 3.11Å; V363-N367 WeakPolarHBondContact CG1-ND2 3.1Å; V363-N367 WeakPolarHBondContact O-CB 3.13Å; V363-N367 PolarHBondContact O-N 3.22Å; V363-N367 PolarHBondContact O-ND2 3.49Å; V363-I401 HydrophobicContact CG2-CG2 3.33Å
364	N	81	Confident	72.6	Confident	90 Å²	90	75.8 Å²	75.8	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-40.2	-179.8	-70.3	-25.6	0	0	0	111.9	E360 M361 L362 N367 I368	E360-N364 WeakPolarHBondContact O-CB 3.24Å; E360-N364 VanDerWaalsContact O-CG 3.24Å; E360-N364 PolarHBondContact O-N 2.68Å; E360-N364 PolarHBondContact O-ND2 2.97Å; M361-N364 PolarHBondContact O-N 2.85Å; L362-N364 VanDerWaalsContact C-N 3.34Å; N364-N367 PolarHBondContact O-N 3.49Å; N364-I368 WeakPolarHBondContact O-CG1 3.47Å; N364-I368 PolarHBondContact O-N 3.14Å
365	V	79.3	Confident	70.7	Confident	74 Å²	74	78.9 Å²	78.9	45%	0.448	42%	0.422	S	S	.	.	H	α-helix	trans	-65.2	-43.3	174.8	170.7	0	0	0	0	111.5	M361 L362 V363 N367 I368	M361-V365 HydrophobicContact CG-CG2 4.46Å; M361-V365 VanDerWaalsContact O-CG2 3.31Å; M361-V365 WeakPolarHBondContact O-CG2 3.48Å; M361-V365 PolarHBondContact O-N 2.87Å; L362-V365 PolarHBondContact O-N 3.33Å; V363-V365 VanDerWaalsContact C-N 3.34Å; V363-V365 PolarHBondContact O-N 2.75Å; V365-N367 VanDerWaalsContact C-N 3.3Å; V365-N367 PolarHBondContact O-N 3.39Å; V365-I368 VanDerWaalsContact O-CB 3.28Å; V365-I368 WeakPolarHBondContact O-CB 3.32Å; V365-I368 PolarHBondContact O-N 2.92Å; V365-I368 VanDerWaalsContact O-N 3.15Å
366	L	72.4	Confident	69.1	Low	68 Å²	68	82.2 Å²	82.2	36%	0.356	44%	0.444	S	S	.	.	H	α-helix	trans	-67.9	-31.2	178.5	-72.4	171.5	0	0	0	112.5	L362 V363 I368 C369 I398 I401	L362-L366 WeakPolarHBondContact O-CB 3.33Å; L362-L366 VanDerWaalsContact O-CG 3.23Å; L362-L366 WeakPolarHBondContact O-CG 3.38Å; L362-L366 PolarHBondContact O-N 3.16Å; V363-L366 PolarHBondContact O-N 3.11Å; L366-I368 PolarHBondContact O-N 3.15Å; L366-C369 PolarHBondContact O-N 3.35Å; L366-I398 HydrophobicContact CD1-CG1 4.39Å; L366-I401 HydrophobicContact CD1-CD1 3.35Å
367	N	68.3	Low	67.4	Low	101 Å²	101	90.1 Å²	90.1	54%	0.54	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-8	174.3	-70.7	-16.5	0	0	0	113.4	V363 N364 V365 C369	V363-N367 WeakPolarHBondContact CG1-ND2 3.1Å; V363-N367 WeakPolarHBondContact O-CB 3.13Å; V363-N367 PolarHBondContact O-N 3.22Å; V363-N367 PolarHBondContact O-ND2 3.49Å; N364-N367 PolarHBondContact O-N 3.49Å; V365-N367 VanDerWaalsContact C-N 3.3Å; V365-N367 PolarHBondContact O-N 3.39Å; N367-C369 VanDerWaalsContact C-N 3.31Å
368	I	67.1	Low	65.5	Low	125 Å²	125	89.9 Å²	89.9	64%	0.641	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-34.3	170.6	-62.6	171.8	0	0	0	110.3	N364 V365 L366 S370	N364-I368 WeakPolarHBondContact O-CG1 3.47Å; N364-I368 PolarHBondContact O-N 3.14Å; V365-I368 VanDerWaalsContact O-CB 3.28Å; V365-I368 WeakPolarHBondContact O-CB 3.32Å; V365-I368 PolarHBondContact O-N 2.92Å; V365-I368 VanDerWaalsContact O-N 3.15Å; L366-I368 PolarHBondContact O-N 3.15Å; I368-S370 VanDerWaalsContact C-N 3.28Å; I368-S370 PolarHBondContact O-N 3.34Å
369	C	57.1	Low	63.5	Low	70 Å²	70	93 Å²	93	47%	0.473	51%	0.512	S	S	.	.	S	Bend	trans	-75.2	87.2	167	-68.5	0	0	0	0	107.9	L366 N367 E373	L366-C369 PolarHBondContact O-N 3.35Å; N367-C369 VanDerWaalsContact C-N 3.31Å; C369-E373 WeakPolarHBondContact CA-OE2 3.24Å; C369-E373 PolarHBondContact SG-OE2 3.25Å
370	S	55.6	Low	61.6	Low	51 Å²	51	99.6 Å²	99.6	36%	0.357	55%	0.547	S	S	.	.			trans	-58.5	155.9	173.7	49.8	0	0	0	0	110.4	I368 D372 E373	I368-S370 VanDerWaalsContact C-N 3.28Å; I368-S370 PolarHBondContact O-N 3.34Å; S370-D372 PolarHBondContact O-N 3.47Å; S370-E373 PolarHBondContact O-N 2.81Å
371	D	54.3	Low	60	Low	120 Å²	120	102.2 Å²	102.2	64%	0.642	57%	0.569	S	S	*	*	H	α-helix	trans	-47.7	-28.6	171.3	-75.3	-39.9	0	0	0	111.4	E373 L374 M375	D371-E373 PolarHBondContact O-N 2.62Å; D371-L374 CarbonylContact O-C 3.54Å; D371-L374 PolarHBondContact O-N 2.65Å; D371-L374 VanDerWaalsContact O-N 3.14Å; D371-M375 VanDerWaalsContact O-CB 3.27Å; D371-M375 WeakPolarHBondContact O-CB 3.37Å; D371-M375 WeakPolarHBondContact O-CG 3.48Å; D371-M375 PolarHBondContact O-N 3.14Å
372	D	48.9	Very low	57.7	Low	125 Å²	125	101.8 Å²	101.8	67%	0.668	58%	0.577	S	S	*	*	H	α-helix	trans	-60.2	-32.4	174.8	-60.8	-24.3	0	0	0	115.4	S370 S376	S370-D372 PolarHBondContact O-N 3.47Å; D372-S376 WeakPolarHBondContact O-CB 3.42Å; D372-S376 PolarHBondContact O-N 3.36Å
373	E	54.8	Low	55.8	Low	120 Å²	120	107 Å²	107	56%	0.561	60%	0.599	S	S	*	*	H	α-helix	trans	-81.7	-20.9	174.6	-71.2	-173.1	158.1	0	0	112.5	C369 S370 D371 S376	C369-E373 WeakPolarHBondContact CA-OE2 3.24Å; C369-E373 PolarHBondContact SG-OE2 3.25Å; S370-E373 PolarHBondContact O-N 2.81Å; D371-E373 PolarHBondContact O-N 2.62Å; E373-S376 PolarHBondContact O-OG 3.22Å
374	L	50.6	Low	54	Low	58 Å²	58	107.7 Å²	107.7	30%	0.304	62%	0.615	S	S	.	*	H	α-helix	trans	-85.7	-18.5	172.5	-78.8	160.7	0	0	0	112.6	D371 K391	D371-L374 CarbonylContact O-C 3.54Å; D371-L374 PolarHBondContact O-N 2.65Å; D371-L374 VanDerWaalsContact O-N 3.14Å; L374-K391 PolarHBondContact O-NZ 3.39Å
375	M	49.2	Very low	52.5	Low	136 Å²	136	106.9 Å²	106.9	67%	0.67	63%	0.628	S	S	*	*	H	α-helix	trans	-107.2	-9.1	179.1	-63	-63.3	-169.3	0	0	113.2	D371 E377	D371-M375 VanDerWaalsContact O-CB 3.27Å; D371-M375 WeakPolarHBondContact O-CB 3.37Å; D371-M375 WeakPolarHBondContact O-CG 3.48Å; D371-M375 PolarHBondContact O-N 3.14Å; M375-E377 VanDerWaalsContact C-N 3.32Å; M375-E377 PolarHBondContact O-N 3.38Å
376	S	48.2	Very low	51.1	Low	83 Å²	83	107 Å²	107	58%	0.58	64%	0.636	S	S	*	*			trans	-64.8	98.8	169.1	67	0	0	0	0	108	D372 E373 G378	D372-S376 WeakPolarHBondContact O-CB 3.42Å; D372-S376 PolarHBondContact O-N 3.36Å; E373-S376 PolarHBondContact O-OG 3.22Å; S376-G378 VanDerWaalsContact C-N 3.27Å; S376-G378 PolarHBondContact O-N 3.05Å
377	E	45.8	Very low	50.3	Low	187 Å²	187	107.7 Å²	107.7	87%	0.874	65%	0.645	S	S	*	*			trans	-62.4	94.7	165.3	-62.7	-147.7	152.1	0	0	107.5	M375 D379	M375-E377 VanDerWaalsContact C-N 3.32Å; M375-E377 PolarHBondContact O-N 3.38Å; E377-D379 PolarHBondContact O-N 3.29Å
378	G	44.8	Very low	49.9	Very low	66 Å²	66	106.2 Å²	106.2	68%	0.68	65%	0.646	S	S	*	*			trans	-63.7	109.8	149.5	0	0	0	0	0	106	S376 D380	S376-G378 VanDerWaalsContact C-N 3.27Å; S376-G378 PolarHBondContact O-N 3.05Å; G378-D380 VanDerWaalsContact C-N 3.31Å; G378-D380 PolarHBondContact O-N 3.23Å
379	D	46.2	Very low	49.5	Very low	141 Å²	141	103 Å²	103	75%	0.754	64%	0.639	S	S	*	*			trans	-50.2	92.4	169.5	-173.6	22.3	0	0	0	109.5	E377	E377-D379 PolarHBondContact O-N 3.29Å
380	D	42.6	Very low	49.7	Very low	149 Å²	149	108.6 Å²	108.6	80%	0.797	65%	0.65	S	S	*	*			trans	-139.4	88.7	165.8	-91.7	-34.2	0	0	0	107.5	G378 C382	G378-D380 VanDerWaalsContact C-N 3.31Å; G378-D380 PolarHBondContact O-N 3.23Å; D380-C382 VanDerWaalsContact C-N 3.27Å; D380-C382 PolarHBondContact O-N 3.39Å
381	T	46.8	Very low	50.1	Low	138 Å²	138	110.9 Å²	110.9	85%	0.847	65%	0.653	S	S	*	*			trans	-58.2	87	160.9	30.2	0	0	0	0	109.6
382	C	37.7	Very low	50.7	Low	115 Å²	115	108.6 Å²	108.6	78%	0.777	64%	0.639	S	S	*	*			trans	-157.3	143.5	164.3	-168.8	0	0	0	0	112.6	D380	D380-C382 VanDerWaalsContact C-N 3.27Å; D380-C382 PolarHBondContact O-N 3.39Å
383	E	42.3	Very low	51.6	Low	189 Å²	189	106.2 Å²	106.2	88%	0.883	63%	0.629	S	S	*	*			trans	-57	154.7	-169.4	-61	173.6	130.8	0	0	116.8
384	G	40.3	Very low	52.1	Low	56 Å²	56	103.6 Å²	103.6	58%	0.577	62%	0.618	S	S	*	*			trans	118.6	129.9	151.9	0	0	0	0	0	115	A386 P387	G384-A386 PolarHBondContact O-N 3.11Å; G384-P387 WeakPolarHBondContact O-CD 3.44Å
385	G	49.9	Very low	52.9	Low	73 Å²	73	106.9 Å²	106.9	75%	0.753	63%	0.626	S	S	*	*	S	Bend	trans	-62.5	20	-174.3	0	0	0	0	0	118.5
386	A	49.9	Very low	53.8	Low	75 Å²	75	104.1 Å²	104.1	62%	0.62	61%	0.614	S	S	*	*	H	α-helix	trans	-75.8	-34	178.2	0	0	0	0	0	115.8	G384 R390	G384-A386 PolarHBondContact O-N 3.11Å; A386-R390 PolarHBondContact O-N 3.16Å
387	P	56.8	Low	54.8	Low	83 Å²	83	106.5 Å²	106.5	54%	0.539	61%	0.614	S	S	.	*	H	α-helix	trans	-69.3	-39.2	-177.9	-19.1	30.3	0	0	0	113.3	G384 R390 K391	G384-P387 WeakPolarHBondContact O-CD 3.44Å; P387-R390 PolarHBondContact O-N 3.25Å; P387-K391 WeakPolarHBondContact O-CG 3.42Å; P387-K391 PolarHBondContact O-N 3.31Å
388	A	59.3	Low	55.8	Low	70 Å²	70	101 Å²	101	58%	0.579	59%	0.59	S	S	*	*	H	α-helix	trans	-68	-41.5	179.8	0	0	0	0	0	112	R390 K391 E392	A388-R390 VanDerWaalsContact C-N 3.32Å; A388-R390 PolarHBondContact O-N 2.87Å; A388-K391 PolarHBondContact O-N 2.81Å; A388-E392 PolarHBondContact O-N 2.93Å
389	A	59.5	Low	56.9	Low	58 Å²	58	105 Å²	105	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-62	-39.8	173.8	0	0	0	0	0	111.6	E392 V393	A389-E392 PolarHBondContact O-N 3.49Å; A389-V393 VanDerWaalsContact O-CG2 3.24Å; A389-V393 WeakPolarHBondContact O-CG2 3.48Å; A389-V393 PolarHBondContact O-N 3.26Å
390	R	60.8	Low	57.9	Low	188 Å²	188	100.5 Å²	100.5	71%	0.709	57%	0.567	S	S	*	*	H	α-helix	trans	-67.2	-40.7	176.9	-164.6	172	-177.3	177.1	-0.9	112.4	A386 P387 A388 V393 I394	A386-R390 PolarHBondContact O-N 3.16Å; P387-R390 PolarHBondContact O-N 3.25Å; A388-R390 VanDerWaalsContact C-N 3.32Å; A388-R390 PolarHBondContact O-N 2.87Å; R390-V393 PolarHBondContact O-N 3.23Å; R390-I394 WeakPolarHBondContact O-CG1 3.5Å; R390-I394 PolarHBondContact O-N 3.04Å; R390-I394 VanDerWaalsContact O-N 3.09Å
391	K	64.1	Low	59.1	Low	99 Å²	99	94.6 Å²	94.6	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-62.3	-41.1	173.1	-72.7	-172.2	-174.8	-164.4	0	111.8	L374 P387 A388 I394 R395	L374-K391 PolarHBondContact O-NZ 3.39Å; P387-K391 WeakPolarHBondContact O-CG 3.42Å; P387-K391 PolarHBondContact O-N 3.31Å; A388-K391 PolarHBondContact O-N 2.81Å; K391-I394 PolarHBondContact O-N 3.35Å; K391-R395 WeakPolarHBondContact O-CB 3.36Å; K391-R395 PolarHBondContact O-N 3.11Å
392	E	67	Low	59.9	Low	72 Å²	72	89.3 Å²	89.3	34%	0.336	51%	0.508	S	S	.	.	H	α-helix	trans	-68.2	-37.5	177.3	-169.3	58.9	-158.2	0	0	112.5	A388 A389 I394 R395 N396	A388-E392 PolarHBondContact O-N 2.93Å; A389-E392 PolarHBondContact O-N 3.49Å; E392-I394 PolarHBondContact O-N 2.83Å; E392-R395 PolarHBondContact O-N 2.74Å; E392-R395 IonicContact OE2-CZ 2.95Å; E392-R395 IonicContact OE2-NE 3.27Å; E392-R395 IonicContact OE2-NH1 2.7Å; E392-R395 PolarHBondContact OE2-NH1 2.87Å; E392-N396 WeakPolarHBondContact O-CB 3.42Å; E392-N396 PolarHBondContact O-N 3.21Å; E392-N396 PolarHBondContact O-ND2 3.18Å
393	V	66.6	Low	61.4	Low	75 Å²	75	90.4 Å²	90.4	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-62.5	-42.2	173.6	169.5	0	0	0	0	111.4	A389 R390 N396 K397	A389-V393 VanDerWaalsContact O-CG2 3.24Å; A389-V393 WeakPolarHBondContact O-CG2 3.48Å; A389-V393 PolarHBondContact O-N 3.26Å; R390-V393 PolarHBondContact O-N 3.23Å; V393-N396 PolarHBondContact O-N 3.07Å; V393-K397 HydrophobicContact CG1-CD 4.3Å; V393-K397 WeakPolarHBondContact O-CG 3.47Å; V393-K397 PolarHBondContact O-N 3.39Å
394	I	66.6	Low	62.5	Low	64 Å²	64	85.8 Å²	85.8	33%	0.328	48%	0.48	S	S	.	.	H	α-helix	trans	-65.1	-45.6	177	-66.9	165.8	0	0	0	110.4	R390 K391 E392 N396 K397 I398	R390-I394 WeakPolarHBondContact O-CG1 3.5Å; R390-I394 PolarHBondContact O-N 3.04Å; R390-I394 VanDerWaalsContact O-N 3.09Å; K391-I394 PolarHBondContact O-N 3.35Å; E392-I394 PolarHBondContact O-N 2.83Å; I394-N396 VanDerWaalsContact C-N 3.32Å; I394-N396 PolarHBondContact O-N 2.94Å; I394-K397 WeakPolarHBondContact O-CB 3.39Å; I394-K397 PolarHBondContact O-N 3.36Å; I394-K397 VanDerWaalsContact O-N 3.17Å; I394-I398 HydrophobicContact CG2-CD1 3.96Å; I394-I398 WeakPolarHBondContact O-CG1 3.4Å; I394-I398 PolarHBondContact O-N 3.45Å
395	R	66.8	Low	63.8	Low	128 Å²	128	84.4 Å²	84.4	48%	0.483	46%	0.463	S	S	.	.	H	α-helix	trans	-58.8	-41.6	176	-172.2	-175.4	-68.1	154.8	-6.7	112.4	K391 E392 I398 R399	K391-R395 WeakPolarHBondContact O-CB 3.36Å; K391-R395 PolarHBondContact O-N 3.11Å; E392-R395 PolarHBondContact O-N 2.74Å; E392-R395 IonicContact OE2-CZ 2.95Å; E392-R395 IonicContact OE2-NE 3.27Å; E392-R395 IonicContact OE2-NH1 2.7Å; E392-R395 PolarHBondContact OE2-NH1 2.87Å; R395-I398 PolarHBondContact O-N 3.44Å; R395-R399 WeakPolarHBondContact O-CG 2.9Å; R395-R399 PolarHBondContact O-N 3.37Å
396	N	68.2	Low	64.5	Low	77 Å²	77	89.1 Å²	89.1	41%	0.412	46%	0.458	S	S	.	.	H	α-helix	trans	-69.1	-35.7	177	-74.7	-30.3	0	0	0	112.6	E392 V393 I394 R399 A400	E392-N396 WeakPolarHBondContact O-CB 3.42Å; E392-N396 PolarHBondContact O-N 3.21Å; E392-N396 PolarHBondContact O-ND2 3.18Å; V393-N396 PolarHBondContact O-N 3.07Å; I394-N396 VanDerWaalsContact C-N 3.32Å; I394-N396 PolarHBondContact O-N 2.94Å; N396-R399 PolarHBondContact O-N 2.87Å; N396-A400 WeakPolarHBondContact O-CB 3.3Å; N396-A400 PolarHBondContact O-N 3.11Å
397	K	68.5	Low	65.3	Low	133 Å²	133	89.6 Å²	89.6	58%	0.578	45%	0.453	S	S	*	.	H	α-helix	trans	-64	-45.3	171.7	-74.3	177.4	178.9	-173	0	111.8	V393 I394 R399 A400 I401	V393-K397 HydrophobicContact CG1-CD 4.3Å; V393-K397 WeakPolarHBondContact O-CG 3.47Å; V393-K397 PolarHBondContact O-N 3.39Å; I394-K397 WeakPolarHBondContact O-CB 3.39Å; I394-K397 PolarHBondContact O-N 3.36Å; I394-K397 VanDerWaalsContact O-N 3.17Å; K397-R399 PolarHBondContact O-N 2.85Å; K397-A400 PolarHBondContact O-N 3.22Å; K397-I401 WeakPolarHBondContact O-CB 3.46Å; K397-I401 WeakPolarHBondContact O-CG1 3.4Å; K397-I401 PolarHBondContact O-N 3.38Å
398	I	67.4	Low	65.9	Low	71 Å²	71	88.2 Å²	88.2	36%	0.364	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-45.1	176.2	-66.6	167.7	0	0	0	110.9	L366 I394 R395 A400 I401 G402	L366-I398 HydrophobicContact CD1-CG1 4.39Å; I394-I398 HydrophobicContact CG2-CD1 3.96Å; I394-I398 WeakPolarHBondContact O-CG1 3.4Å; I394-I398 PolarHBondContact O-N 3.45Å; R395-I398 PolarHBondContact O-N 3.44Å; I398-A400 PolarHBondContact O-N 2.91Å; I398-I401 PolarHBondContact O-N 3.35Å; I398-G402 PolarHBondContact O-N 3.03Å
399	R	67.6	Low	66.3	Low	150 Å²	150	86.8 Å²	86.8	57%	0.566	42%	0.424	S	S	*	.	H	α-helix	trans	-62.6	-39.6	176.3	-75.5	175.3	174.8	172.6	-2.5	112.9	R395 N396 K397 K403	R395-R399 WeakPolarHBondContact O-CG 2.9Å; R395-R399 PolarHBondContact O-N 3.37Å; N396-R399 PolarHBondContact O-N 2.87Å; K397-R399 PolarHBondContact O-N 2.85Å; R399-K403 WeakPolarHBondContact O-CG 2.82Å; R399-K403 PolarHBondContact O-N 3.19Å
400	A	66.2	Low	66.8	Low	48 Å²	48	87.7 Å²	87.7	40%	0.397	42%	0.424	S	S	.	.	H	α-helix	trans	-65.3	-44.5	176.6	0	0	0	0	0	111.4	N396 K397 I398 G402 K403 M404	N396-A400 WeakPolarHBondContact O-CB 3.3Å; N396-A400 PolarHBondContact O-N 3.11Å; K397-A400 PolarHBondContact O-N 3.22Å; I398-A400 PolarHBondContact O-N 2.91Å; A400-G402 PolarHBondContact O-N 2.75Å; A400-K403 PolarHBondContact O-N 3.3Å; A400-M404 PolarHBondContact O-N 3.47Å
401	I	67.9	Low	67	Low	24 Å²	24	82.5 Å²	82.5	12%	0.123	41%	0.409	C	S	.	.	H	α-helix	trans	-61.8	-44.4	176.1	-66.4	168.6	0	0	0	110.5	T359 V363 L366 K397 I398 K403 M404 A405	T359-I401 HydrophobicContact CG2-CG2 3.62Å; T359-I401 WeakPolarHBondContact CG2-O 3.34Å; V363-I401 HydrophobicContact CG2-CG2 3.33Å; L366-I401 HydrophobicContact CD1-CD1 3.35Å; K397-I401 WeakPolarHBondContact O-CB 3.46Å; K397-I401 WeakPolarHBondContact O-CG1 3.4Å; K397-I401 PolarHBondContact O-N 3.38Å; I398-I401 PolarHBondContact O-N 3.35Å; I401-K403 VanDerWaalsContact C-N 3.29Å; I401-K403 PolarHBondContact O-N 2.97Å; I401-M404 HydrophobicContact CG1-CE 4.19Å; I401-M404 PolarHBondContact O-N 3.19Å; I401-A405 WeakPolarHBondContact O-CB 3.46Å; I401-A405 PolarHBondContact O-N 3.18Å
402	G	65	Low	67.2	Low	28 Å²	28	80.4 Å²	80.4	29%	0.289	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-24.1	175.9	0	0	0	0	0	114.9	I398 A400 R406	I398-G402 PolarHBondContact O-N 3.03Å; A400-G402 PolarHBondContact O-N 2.75Å; G402-R406 PolarHBondContact O-NE 3.44Å
403	K	68.8	Low	67.3	Low	138 Å²	138	81.8 Å²	81.8	60%	0.6	41%	0.405	S	S	*	.	H	α-helix	trans	-74.7	-45.4	169.4	-75.2	-179.8	-178.8	-176.5	0	111.1	R399 A400 I401 A405 R406 V407	R399-K403 WeakPolarHBondContact O-CG 2.82Å; R399-K403 PolarHBondContact O-N 3.19Å; A400-K403 PolarHBondContact O-N 3.3Å; I401-K403 VanDerWaalsContact C-N 3.29Å; I401-K403 PolarHBondContact O-N 2.97Å; K403-A405 VanDerWaalsContact C-N 3.32Å; K403-A405 PolarHBondContact O-N 2.93Å; K403-R406 PolarHBondContact O-N 2.8Å; K403-V407 PolarHBondContact O-N 2.94Å
404	M	65.9	Low	67.2	Low	92 Å²	92	80.8 Å²	80.8	45%	0.453	40%	0.396	S	S	.	.	H	α-helix	trans	-61.2	-39.8	176.6	-71.7	-172	-69.5	0	0	112.2	T359 A400 I401 R406 V407 F408	T359-M404 HydrophobicContact CG2-CB 4.32Å; A400-M404 PolarHBondContact O-N 3.47Å; I401-M404 HydrophobicContact CG1-CE 4.19Å; I401-M404 PolarHBondContact O-N 3.19Å; M404-R406 VanDerWaalsContact C-N 3.29Å; M404-R406 PolarHBondContact O-N 2.91Å; M404-V407 PolarHBondContact O-N 2.7Å; M404-F408 HydrophobicContact CB-CD2 4.41Å; M404-F408 HydrophobicContact CB-CE2 4.39Å; M404-F408 VanDerWaalsContact O-CD2 3.25Å; M404-F408 WeakPolarHBondContact O-CD2 3.38Å; M404-F408 PolarHBondContact O-N 2.93Å
405	A	66.9	Low	67.2	Low	27 Å²	27	79.4 Å²	79.4	22%	0.223	39%	0.389	C	S	.	.	H	α-helix	trans	-57.1	-43.5	177.6	0	0	0	0	0	111.7	T359 I401 K403 S409	T359-A405 HydrophobicContact CG2-CB 3.7Å; I401-A405 WeakPolarHBondContact O-CB 3.46Å; I401-A405 PolarHBondContact O-N 3.18Å; K403-A405 VanDerWaalsContact C-N 3.32Å; K403-A405 PolarHBondContact O-N 2.93Å; A405-S409 WeakPolarHBondContact O-CB 3.22Å; A405-S409 PolarHBondContact O-N 3.45Å
406	R	65.3	Low	67.3	Low	172 Å²	172	77 Å²	77	65%	0.649	38%	0.383	S	S	*	.	H	α-helix	trans	-66.8	-41.8	177.2	-77	-175.3	-78.5	172.6	-6.6	112.6	G402 K403 M404 S409 V410	G402-R406 PolarHBondContact O-NE 3.44Å; K403-R406 PolarHBondContact O-N 2.8Å; M404-R406 VanDerWaalsContact C-N 3.29Å; M404-R406 PolarHBondContact O-N 2.91Å; R406-S409 PolarHBondContact O-N 3.32Å; R406-V410 WeakPolarHBondContact O-CG2 3.25Å; R406-V410 PolarHBondContact O-N 3.31Å; R406-V410 VanDerWaalsContact O-N 3.12Å
407	V	66.4	Low	67	Low	85 Å²	85	74.8 Å²	74.8	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-47.7	177.8	172.9	0	0	0	0	110.7	K403 M404 V410 L411	K403-V407 PolarHBondContact O-N 2.94Å; M404-V407 PolarHBondContact O-N 2.7Å; V407-V410 PolarHBondContact O-N 3.47Å; V407-L411 HydrophobicContact CG1-CD1 3.96Å; V407-L411 WeakPolarHBondContact O-CG 3.37Å; V407-L411 PolarHBondContact O-N 2.99Å
408	F	70	Confident	66.7	Low	54 Å²	54	69 Å²	69	24%	0.237	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-35.7	-179.6	-73.7	-59.5	0	0	0	113.4	P352 E356 M404 L411 R412	P352-F408 WeakPolarHBondContact O-CD1 3.33Å; E356-F408 HydrophobicContact CB-CB 3.73Å; E356-F408 HydrophobicContact CG-CB 4.49Å; M404-F408 HydrophobicContact CB-CD2 4.41Å; M404-F408 HydrophobicContact CB-CE2 4.39Å; M404-F408 VanDerWaalsContact O-CD2 3.25Å; M404-F408 WeakPolarHBondContact O-CD2 3.38Å; M404-F408 PolarHBondContact O-N 2.93Å; F408-L411 HydrophobicContact CD1-CD1 4.49Å; F408-L411 PolarHBondContact O-N 3.48Å; F408-R412 WeakPolarHBondContact O-CB 3.32Å; F408-R412 PolarHBondContact O-N 2.82Å
409	S	67.8	Low	66.7	Low	40 Å²	40	67.6 Å²	67.6	28%	0.28	34%	0.343	S	S	.	.	H	α-helix	trans	-59.6	-46.8	173.5	-169	0	0	0	0	111.7	A405 R406 R412 E413	A405-S409 WeakPolarHBondContact O-CB 3.22Å; A405-S409 PolarHBondContact O-N 3.45Å; R406-S409 PolarHBondContact O-N 3.32Å; S409-R412 PolarHBondContact O-N 2.65Å; S409-E413 WeakPolarHBondContact O-CG 3.41Å; S409-E413 PolarHBondContact O-N 2.97Å
410	V	68.4	Low	66.4	Low	77 Å²	77	64.2 Å²	64.2	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-50.3	178.3	172.5	0	0	0	0	110.5	R406 V407 R412 E413 E414	R406-V410 WeakPolarHBondContact O-CG2 3.25Å; R406-V410 PolarHBondContact O-N 3.31Å; R406-V410 VanDerWaalsContact O-N 3.12Å; V407-V410 PolarHBondContact O-N 3.47Å; V410-R412 PolarHBondContact O-N 3Å; V410-E413 PolarHBondContact O-N 3Å; V410-E413 VanDerWaalsContact O-N 3.14Å; V410-E414 HydrophobicContact CG1-CG 4.43Å; V410-E414 VanDerWaalsContact O-CG 3.31Å; V410-E414 WeakPolarHBondContact O-CG 3.31Å; V410-E414 PolarHBondContact O-N 3.14Å
411	L	64.8	Low	66	Low	79 Å²	79	63 Å²	63	41%	0.414	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-33.4	179.4	-70.8	172.3	0	0	0	112.9	P352 V407 F408 N415	P352-L411 HydrophobicContact CB-CB 3.81Å; P352-L411 HydrophobicContact CG-CB 4.28Å; V407-L411 HydrophobicContact CG1-CD1 3.96Å; V407-L411 WeakPolarHBondContact O-CG 3.37Å; V407-L411 PolarHBondContact O-N 2.99Å; F408-L411 HydrophobicContact CD1-CD1 4.49Å; F408-L411 PolarHBondContact O-N 3.48Å; L411-N415 WeakPolarHBondContact O-CB 3.28Å; L411-N415 PolarHBondContact O-N 3.46Å
412	R	70	Confident	65.8	Low	55 Å²	55	63.2 Å²	63.2	21%	0.208	32%	0.32	C	S	.	.	H	α-helix	trans	-71.4	-47.3	175.2	-178.2	-168.2	169.3	-176	-8.7	112.1	F353 E356 F408 S409 V410 E414 N415 E416	F353-R412 HydrophobicContact CD2-CG 4.48Å; E356-R412 IonicContact OE1-NH1 3.68Å; E356-R412 PolarHBondContact OE1-NH1 3Å; E356-R412 WeakPolarHBondContact OE2-CD 3.29Å; E356-R412 IonicContact OE2-NE 3.6Å; E356-R412 IonicContact OE2-NH1 3.52Å; F408-R412 WeakPolarHBondContact O-CB 3.32Å; F408-R412 PolarHBondContact O-N 2.82Å; S409-R412 PolarHBondContact O-N 2.65Å; V410-R412 PolarHBondContact O-N 3Å; R412-E414 VanDerWaalsContact C-N 3.26Å; R412-E414 PolarHBondContact O-N 3.12Å; R412-N415 PolarHBondContact O-N 3.4Å; R412-N415 VanDerWaalsContact O-N 3.11Å; R412-E416 HydrophobicContact CG-CG 4.3Å; R412-E416 IonicContact CZ-OE1 2.69Å; R412-E416 VanDerWaalsContact CZ-OE1 3.22Å; R412-E416 IonicContact NE-OE1 3.6Å; R412-E416 PolarHBondContact NE-OE1 2.9Å; R412-E416 IonicContact NH2-OE1 2.87Å; R412-E416 PolarHBondContact NH2-OE1 3.47Å; R412-E416 PolarHBondContact O-N 2.97Å
413	E	67.8	Low	65.5	Low	101 Å²	101	62.2 Å²	62.2	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-58.2	-40.6	179.1	-75.1	173.7	-167	0	0	111.4	S409 V410 S417	S409-E413 WeakPolarHBondContact O-CG 3.41Å; S409-E413 PolarHBondContact O-N 2.97Å; V410-E413 PolarHBondContact O-N 3Å; V410-E413 VanDerWaalsContact O-N 3.14Å; E413-S417 WeakPolarHBondContact O-CB 3.33Å; E413-S417 PolarHBondContact O-N 2.92Å; E413-S417 VanDerWaalsContact O-N 3.07Å; E413-S417 PolarHBondContact O-OG 3.45Å
414	E	64.4	Low	65.1	Low	54 Å²	54	55.9 Å²	55.9	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-53.8	170.9	-63.4	-71	151.4	0	0	111	V410 R412 E416 S417 V418 L435	V410-E414 HydrophobicContact CG1-CG 4.43Å; V410-E414 VanDerWaalsContact O-CG 3.31Å; V410-E414 WeakPolarHBondContact O-CG 3.31Å; V410-E414 PolarHBondContact O-N 3.14Å; R412-E414 VanDerWaalsContact C-N 3.26Å; R412-E414 PolarHBondContact O-N 3.12Å; E414-E416 PolarHBondContact O-N 3.07Å; E414-S417 PolarHBondContact O-N 3.46Å; E414-V418 WeakPolarHBondContact O-CG2 3.31Å; E414-V418 PolarHBondContact O-N 3.18Å; E414-L435 VanDerWaalsContact CD-CD1 3.44Å; E414-L435 WeakPolarHBondContact OE1-CD1 3.34Å; E414-L435 WeakPolarHBondContact OE1-CD2 3.38Å; E414-L435 WeakPolarHBondContact OE1-CG 3.35Å; E414-L435 WeakPolarHBondContact OE2-CD1 3.5Å
415	N	67.2	Low	64.7	Low	35 Å²	35	52.2 Å²	52.2	19%	0.187	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-38.5	-177.9	-81.6	0.4	0	0	0	113.4	W349 L411 R412 L419	W349-N415 PolarHBondContact O-ND2 3.08Å; L411-N415 WeakPolarHBondContact O-CB 3.28Å; L411-N415 PolarHBondContact O-N 3.46Å; R412-N415 PolarHBondContact O-N 3.4Å; R412-N415 VanDerWaalsContact O-N 3.11Å; N415-L419 PolarHBondContact O-N 3.38Å
416	E	68.1	Low	64	Low	77 Å²	77	51.1 Å²	51.1	36%	0.36	26%	0.256	S	S	.	.	H	α-helix	trans	-68.6	-38.2	176.7	-75.5	-174.3	178.7	0	0	111.7	R412 E414 L419 Q420	R412-E416 HydrophobicContact CG-CG 4.3Å; R412-E416 IonicContact CZ-OE1 2.69Å; R412-E416 VanDerWaalsContact CZ-OE1 3.22Å; R412-E416 IonicContact NE-OE1 3.6Å; R412-E416 PolarHBondContact NE-OE1 2.9Å; R412-E416 IonicContact NH2-OE1 2.87Å; R412-E416 PolarHBondContact NH2-OE1 3.47Å; R412-E416 PolarHBondContact O-N 2.97Å; E414-E416 PolarHBondContact O-N 3.07Å; E416-L419 WeakPolarHBondContact O-CB 3.23Å; E416-L419 PolarHBondContact O-N 2.92Å; E416-Q420 WeakPolarHBondContact O-CG 3.36Å; E416-Q420 PolarHBondContact O-N 2.99Å; E416-Q420 VanDerWaalsContact O-N 3.11Å
417	S	62.5	Low	63.6	Low	31 Å²	31	44.8 Å²	44.8	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-41.4	178	-56.9	0	0	0	0	112	E413 E414 L419 Q420 L421	E413-S417 WeakPolarHBondContact O-CB 3.33Å; E413-S417 PolarHBondContact O-N 2.92Å; E413-S417 VanDerWaalsContact O-N 3.07Å; E413-S417 PolarHBondContact O-OG 3.45Å; E414-S417 PolarHBondContact O-N 3.46Å; S417-L419 VanDerWaalsContact C-N 3.27Å; S417-L419 PolarHBondContact O-N 3.48Å; S417-Q420 PolarHBondContact O-N 2.69Å; S417-L421 PolarHBondContact O-N 2.77Å; S417-L421 VanDerWaalsContact O-N 3.16Å
418	V	63.5	Low	62.7	Low	12 Å²	12	41.8 Å²	41.8	7%	0.073	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-32.7	175.3	173.9	0	0	0	0	111.8	P341 E414 K422 G428	P341-V418 HydrophobicContact CB-CG1 3.57Å; P341-V418 HydrophobicContact CG-CG1 3.98Å; E414-V418 WeakPolarHBondContact O-CG2 3.31Å; E414-V418 PolarHBondContact O-N 3.18Å; V418-K422 PolarHBondContact O-N 2.88Å; V418-G428 WeakPolarHBondContact CG2-O 3.45Å
419	L	65.6	Low	61.5	Low	41 Å²	41	43.4 Å²	43.4	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-71.2	-37	174.6	-84.8	171.7	0	0	0	113.6	Y338 L340 P341 W349 N415 E416 S417 L421 K422	Y338-L419 WeakPolarHBondContact OH-CD2 3.34Å; L340-L419 HydrophobicContact CD2-CD2 3.85Å; P341-L419 HydrophobicContact CG-CD2 3.93Å; P341-L419 HydrophobicContact CG-CG 4.46Å; W349-L419 HydrophobicContact CZ2-CD1 3.87Å; N415-L419 PolarHBondContact O-N 3.38Å; E416-L419 WeakPolarHBondContact O-CB 3.23Å; E416-L419 PolarHBondContact O-N 2.92Å; S417-L419 VanDerWaalsContact C-N 3.27Å; S417-L419 PolarHBondContact O-N 3.48Å; L419-L421 VanDerWaalsContact C-N 3.34Å; L419-K422 WeakPolarHBondContact O-CB 3.5Å; L419-K422 PolarHBondContact O-N 3.2Å
420	Q	62	Low	60.3	Low	79 Å²	79	42.7 Å²	42.7	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-71	-33	179.9	-72.7	172.7	9.9	0	0	112.1	E416 S417 K422 P460	E416-Q420 WeakPolarHBondContact O-CG 3.36Å; E416-Q420 PolarHBondContact O-N 2.99Å; E416-Q420 VanDerWaalsContact O-N 3.11Å; S417-Q420 PolarHBondContact O-N 2.69Å; Q420-K422 VanDerWaalsContact C-N 3.33Å; Q420-P460 PolarHBondContact NE2-O 3.47Å; Q420-P460 VanDerWaalsContact OE1-CA 3.26Å; Q420-P460 PolarHBondContact OE1-O 3.06Å
421	L	58.4	Low	58.8	Low	21 Å²	21	40.9 Å²	40.9	11%	0.11	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	29.3	176.2	-64.1	173.8	0	0	0	112	S417 L419 G423 L424 T425 L430 F458	S417-L421 PolarHBondContact O-N 2.77Å; S417-L421 VanDerWaalsContact O-N 3.16Å; L419-L421 VanDerWaalsContact C-N 3.34Å; L421-G423 PolarHBondContact O-N 3.44Å; L421-L424 HydrophobicContact CB-CB 4.3Å; L421-L424 HydrophobicContact CD2-CD1 4.24Å; L421-L424 CarbonylContact O-C 3.6Å; L421-L424 WeakPolarHBondContact O-CA 3.49Å; L421-L424 WeakPolarHBondContact O-CB 3.21Å; L421-L424 PolarHBondContact O-N 2.84Å; L421-T425 HydrophobicContact CB-CG2 3.85Å; L421-T425 WeakPolarHBondContact CB-OG1 3.49Å; L421-T425 HydrophobicContact CD1-CG2 3.68Å; L421-T425 HydrophobicContact CG-CG2 4.41Å; L421-T425 PolarHBondContact O-N 3.17Å; L421-T425 PolarHBondContact O-OG1 3.33Å; L421-L430 HydrophobicContact CD1-CD2 3.58Å; L421-F458 HydrophobicContact CD2-CE2 3.76Å; L421-F458 HydrophobicContact CD2-CZ 3.78Å; L421-F458 HydrophobicContact CG-CZ 4.17Å
422	K	62.8	Low	57.3	Low	29 Å²	29	45.7 Å²	45.7	13%	0.126	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	127.1	-179.3	-176.4	-179.3	176.7	-160.5	0	110.1	Y338 W339 P341 V418 L419 Q420 L424	Y338-K422 VanDerWaalsContact CD2-NZ 3.27Å; Y338-K422 HydrophobicContact CE2-CD 4.07Å; W339-K422 WeakPolarHBondContact O-CE 3.32Å; W339-K422 PolarHBondContact O-NZ 3.28Å; P341-K422 HydrophobicContact CG-CG 4.3Å; V418-K422 PolarHBondContact O-N 2.88Å; L419-K422 WeakPolarHBondContact O-CB 3.5Å; L419-K422 PolarHBondContact O-N 3.2Å; Q420-K422 VanDerWaalsContact C-N 3.33Å; K422-L424 PolarHBondContact O-N 3.33Å
423	G	58.1	Low	56	Low	7 Å²	7	45.4 Å²	45.4	7%	0.072	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-28.6	-176.6	0	0	0	0	0	114.9	R119 L421 P426	R119-G423 PolarHBondContact NH2-O 3.17Å; L421-G423 PolarHBondContact O-N 3.44Å; G423-P426 WeakPolarHBondContact O-CG 3.37Å
424	L	60.6	Low	54.7	Low	5 Å²	5	43.6 Å²	43.6	3%	0.026	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-15.5	176.6	-63.5	173.7	0	0	0	113.7	L309 V311 Y312 L421 K422 I464 L473 D474 N477	L309-L424 HydrophobicContact CD1-CD2 3.6Å; L309-L424 HydrophobicContact CD1-CG 4.39Å; V311-L424 HydrophobicContact CG2-CD1 4.21Å; V311-L424 HydrophobicContact CG2-CD2 4.34Å; V311-L424 HydrophobicContact CG2-CG 4.24Å; Y312-L424 HydrophobicContact CE2-CD2 4.38Å; L421-L424 HydrophobicContact CB-CB 4.3Å; L421-L424 HydrophobicContact CD2-CD1 4.24Å; L421-L424 CarbonylContact O-C 3.6Å; L421-L424 WeakPolarHBondContact O-CA 3.49Å; L421-L424 WeakPolarHBondContact O-CB 3.21Å; L421-L424 PolarHBondContact O-N 2.84Å; K422-L424 PolarHBondContact O-N 3.33Å; L424-I464 HydrophobicContact CD1-CD1 3.54Å; L424-L473 HydrophobicContact CD1-CB 4.13Å; L424-L473 HydrophobicContact CD1-CD1 4.4Å; L424-D474 HydrophobicContact CD2-CB 3.47Å; L424-D474 VanDerWaalsContact CD2-CB 3.47Å; L424-N477 PolarHBondContact O-ND2 2.97Å
425	T	59.2	Low	53.4	Low	15 Å²	15	44.6 Å²	44.6	9%	0.092	26%	0.262	C	S	.	.			trans	-129.5	66	171.3	52.9	0	0	0	0	111.3	L421 T427 G428	L421-T425 HydrophobicContact CB-CG2 3.85Å; L421-T425 WeakPolarHBondContact CB-OG1 3.49Å; L421-T425 HydrophobicContact CD1-CG2 3.68Å; L421-T425 HydrophobicContact CG-CG2 4.41Å; L421-T425 PolarHBondContact O-N 3.17Å; L421-T425 PolarHBondContact O-OG1 3.33Å; T425-T427 PolarHBondContact O-N 3Å; T425-T427 VanDerWaalsContact O-N 3.16Å; T425-G428 PolarHBondContact O-N 3.17Å
426	P	51.9	Low	52	Low	4 Å²	4	48.6 Å²	48.6	3%	0.026	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.5	-175.3	-12.9	27.3	0	0	0	112.7	F157 T158 N342 G423 G428	F157-P426 HydrophobicContact CD1-CB 3.92Å; F157-P426 HydrophobicContact CD1-CG 3.78Å; F157-P426 HydrophobicContact CE1-CG 4.09Å; T158-P426 HydrophobicContact CG2-CB 3.78Å; N342-P426 PolarHBondContact ND2-O 3.39Å; N342-P426 PolarHBondContact OD1-O 2.93Å; G423-P426 WeakPolarHBondContact O-CG 3.37Å; P426-G428 PolarHBondContact O-N 2.59Å
427	T	55.6	Low	50.5	Low	39 Å²	39	45.7 Å²	45.7	24%	0.239	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.2	176	54.8	0	0	0	0	113.7	Y156 T425 T429	Y156-T427 HydrophobicContact CD1-CG2 4.13Å; Y156-T427 HydrophobicContact CD2-CG2 4.16Å; Y156-T427 HydrophobicContact CE1-CG2 3.69Å; Y156-T427 HydrophobicContact CE2-CG2 3.74Å; Y156-T427 HydrophobicContact CG-CG2 4.35Å; Y156-T427 VanDerWaalsContact CZ-CG2 3.48Å; Y156-T427 WeakPolarHBondContact O-CG2 3.38Å; T425-T427 PolarHBondContact O-N 3Å; T425-T427 VanDerWaalsContact O-N 3.16Å; T427-T429 PolarHBondContact O-N 3.23Å; T427-T429 VanDerWaalsContact O-N 3.11Å; T427-T429 PolarHBondContact OG1-N 2.81Å; T427-T429 PolarHBondContact OG1-OG1 3.02Å
428	G	48.3	Very low	49.4	Very low	22 Å²	22	47.2 Å²	47.2	23%	0.227	30%	0.303	C	S	.	.	S	Bend	trans	66.5	1.7	-170.8	0	0	0	0	0	114	V418 T425 P426	V418-G428 WeakPolarHBondContact CG2-O 3.45Å; T425-G428 PolarHBondContact O-N 3.17Å; P426-G428 PolarHBondContact O-N 2.59Å
429	T	45	Very low	48.2	Very low	89 Å²	89	57.8 Å²	57.8	55%	0.546	34%	0.342	S	S	.	.			trans	-96.8	114.6	175	56.4	0	0	0	0	109	T427	T427-T429 PolarHBondContact O-N 3.23Å; T427-T429 VanDerWaalsContact O-N 3.11Å; T427-T429 PolarHBondContact OG1-N 2.81Å; T427-T429 PolarHBondContact OG1-OG1 3.02Å
430	L	41.5	Very low	46.8	Very low	24 Å²	24	66.4 Å²	66.4	13%	0.126	37%	0.372	C	S	.	.			trans	-58.4	147.2	161.3	-72.4	165.9	0	0	0	109.1	L421 L432 V434 L435	L421-L430 HydrophobicContact CD1-CD2 3.58Å; L430-L432 PolarHBondContact O-N 3.13Å; L430-V434 HydrophobicContact CD1-CG1 4.44Å; L430-L435 HydrophobicContact CB-CD1 4.11Å; L430-L435 HydrophobicContact CD1-CD1 3.37Å; L430-L435 HydrophobicContact CD1-CG 4.32Å; L430-L435 HydrophobicContact CG-CD1 4.3Å
431	P	38.3	Very low	45.6	Very low	40 Å²	40	65.4 Å²	65.4	26%	0.26	37%	0.371	S	S	.	.			trans	-48.9	133.5	176.5	-26.2	33.8	0	0	0	111.1	G433 V434 I455	P431-G433 PolarHBondContact O-N 3.41Å; P431-V434 PolarHBondContact O-N 3.08Å; P431-I455 HydrophobicContact CB-CD1 3.72Å; P431-I455 HydrophobicContact CG-CD1 3.82Å
432	L	31.7	Very low	44.6	Very low	180 Å²	180	71.1 Å²	71.1	94%	0.942	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	107.4	179.8	-95.3	123.9	0	0	0	109.3	L430	L430-L432 PolarHBondContact O-N 3.13Å
433	G	42.7	Very low	43.2	Very low	49 Å²	49	78.2 Å²	78.2	51%	0.505	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	151.1	-16.8	-176.2	0	0	0	0	0	114	P431	P431-G433 PolarHBondContact O-N 3.41Å
434	V	42.2	Very low	42	Very low	63 Å²	63	81.8 Å²	81.8	38%	0.382	46%	0.458	S	S	.	.	S	Bend	trans	-91.4	-27.5	-174.3	-176.1	0	0	0	0	114	L430 P431 I455	L430-V434 HydrophobicContact CD1-CG1 4.44Å; P431-V434 PolarHBondContact O-N 3.08Å; V434-I455 HydrophobicContact CG2-CD1 4.46Å; V434-I455 HydrophobicContact CG2-CG2 4.03Å
435	L	36.7	Very low	40.6	Very low	75 Å²	75	85.4 Å²	85.4	39%	0.393	49%	0.489	S	S	.	.	S	Bend	trans	-125.8	-15.8	-163.7	-71.2	151.2	0	0	0	116.4	E414 L430	E414-L435 VanDerWaalsContact CD-CD1 3.44Å; E414-L435 WeakPolarHBondContact OE1-CD1 3.34Å; E414-L435 WeakPolarHBondContact OE1-CD2 3.38Å; E414-L435 WeakPolarHBondContact OE1-CG 3.35Å; E414-L435 WeakPolarHBondContact OE2-CD1 3.5Å; L430-L435 HydrophobicContact CB-CD1 4.11Å; L430-L435 HydrophobicContact CD1-CD1 3.37Å; L430-L435 HydrophobicContact CD1-CG 4.32Å; L430-L435 HydrophobicContact CG-CD1 4.3Å
436	S	37.1	Very low	39.4	Very low	118 Å²	118	90.7 Å²	90.7	83%	0.825	52%	0.522	S	S	*	.	S	Bend	trans	-84.9	-13.5	179.5	46.3	0	0	0	0	113.9
437	G	36.9	Very low	38.6	Very low	16 Å²	16	96.5 Å²	96.5	17%	0.165	56%	0.556	C	S	.	*	S	Bend	trans	-125.4	112	174.4	0	0	0	0	0	109.9	T441	G437-T441 VanDerWaalsContact CA-OG1 3.28Å; G437-T441 WeakPolarHBondContact CA-OG1 3.45Å; G437-T441 PolarHBondContact O-OG1 2.87Å
438	G	39.9	Very low	37.6	Very low	63 Å²	63	103.3 Å²	103.3	65%	0.649	59%	0.586	S	S	*	*			trans	-53	175.2	171.3	0	0	0	0	0	112.7	R440 T441	G438-R440 PolarHBondContact O-N 3.07Å; G438-T441 PolarHBondContact O-N 3.41Å; G438-T441 PolarHBondContact O-OG1 3.25Å
439	R	37.3	Very low	37.3	Very low	234 Å²	234	105.9 Å²	105.9	88%	0.883	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-29.7	-22.5	-174.5	-92.5	-176.6	-171	161.2	5.1	119.6
440	R	36.4	Very low	37	Very low	223 Å²	223	109.9 Å²	109.9	84%	0.842	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-22.4	179.6	-71.6	-178	173.3	170.2	-2.1	115.4	G438	G438-R440 PolarHBondContact O-N 3.07Å
441	T	37.9	Very low	36.9	Very low	58 Å²	58	114.1 Å²	114.1	36%	0.356	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-79.6	-21.3	179.8	49.7	0	0	0	0	113.7	G437 G438 Q443 S444 A445	G437-T441 VanDerWaalsContact CA-OG1 3.28Å; G437-T441 WeakPolarHBondContact CA-OG1 3.45Å; G437-T441 PolarHBondContact O-OG1 2.87Å; G438-T441 PolarHBondContact O-N 3.41Å; G438-T441 PolarHBondContact O-OG1 3.25Å; T441-Q443 PolarHBondContact O-N 3.25Å; T441-Q443 VanDerWaalsContact O-N 3.08Å; T441-S444 PolarHBondContact O-N 2.91Å; T441-S444 VanDerWaalsContact O-N 3.13Å; T441-A445 PolarHBondContact O-N 3.44Å
442	L	35.8	Very low	36.8	Very low	141 Å²	141	114.7 Å²	114.7	74%	0.738	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-60.4	-16.1	172	-75.6	165.6	0	0	0	113.8
443	Q	33.8	Very low	37.1	Very low	177 Å²	177	116.3 Å²	116.3	83%	0.827	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-101.1	-11.8	178.3	-71.7	-179.5	-13.2	0	0	113.8	T441	T441-Q443 PolarHBondContact O-N 3.25Å; T441-Q443 VanDerWaalsContact O-N 3.08Å
444	S	32.7	Very low	37	Very low	82 Å²	82	116.7 Å²	116.7	57%	0.573	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	0.2	-172.9	63.7	0	0	0	0	115.1	T441 T446	T441-S444 PolarHBondContact O-N 2.91Å; T441-S444 VanDerWaalsContact O-N 3.13Å; S444-T446 VanDerWaalsContact C-N 3.31Å; S444-T446 PolarHBondContact O-N 3.31Å
445	A	32.3	Very low	37.1	Very low	81 Å²	81	116.8 Å²	116.8	67%	0.669	63%	0.634	S	S	*	*			trans	-81.9	74.8	173.8	0	0	0	0	0	110.6	T441	T441-A445 PolarHBondContact O-N 3.44Å
446	T	32.6	Very low	37	Very low	127 Å²	127	121.1 Å²	121.1	78%	0.779	65%	0.653	S	S	*	*			trans	-102.8	9	174.9	43	0	0	0	0	114	S444	S444-T446 VanDerWaalsContact C-N 3.31Å; S444-T446 PolarHBondContact O-N 3.31Å
447	V	36	Very low	37	Very low	125 Å²	125	118.8 Å²	118.8	76%	0.758	65%	0.647	S	S	*	*	S	Bend	trans	-145.1	84.5	178.6	-169.4	0	0	0	0	110.4
448	E	35	Very low	37.3	Very low	182 Å²	182	121.6 Å²	121.6	85%	0.85	66%	0.655	S	S	*	*	S	Bend	trans	175.7	153.9	132.2	-92.8	171.3	-169	0	0	109.8
449	A	41.1	Very low	37.7	Very low	77 Å²	77	122.7 Å²	122.7	64%	0.636	65%	0.646	S	S	*	*			trans	-82.2	150.9	-144.2	0	0	0	0	0	115.7	E451	A449-E451 PolarHBondContact O-N 2.9Å
450	E	39.2	Very low	38.1	Very low	173 Å²	173	115.4 Å²	115.4	81%	0.808	63%	0.629	S	S	*	*	S	Bend	trans	54.8	-39.2	164.1	-70.7	177.7	158.6	0	0	119.4	A452 R453	E450-A452 VanDerWaalsContact C-N 3.29Å; E450-A452 PolarHBondContact O-N 2.88Å; E450-R453 PolarHBondContact O-N 3.35Å
451	E	39	Very low	38.9	Very low	113 Å²	113	112.8 Å²	112.8	53%	0.528	63%	0.626	S	S	.	*	H	α-helix	trans	-61.6	-33.2	179.6	-68	179.4	167.2	0	0	112.9	A449 R453 I455	A449-E451 PolarHBondContact O-N 2.9Å; E451-R453 VanDerWaalsContact C-N 3.34Å; E451-R453 PolarHBondContact O-N 3.5Å; E451-I455 WeakPolarHBondContact O-CD1 3.47Å
452	A	37.1	Very low	40.3	Very low	52 Å²	52	113.9 Å²	113.9	43%	0.43	63%	0.627	S	S	.	*	H	α-helix	trans	-73.4	-21.8	179.8	0	0	0	0	0	113.8	E450 Q456	E450-A452 VanDerWaalsContact C-N 3.29Å; E450-A452 PolarHBondContact O-N 2.88Å; A452-Q456 WeakPolarHBondContact O-CB 3.28Å; A452-Q456 PolarHBondContact O-N 3.46Å
453	R	37.6	Very low	41.9	Very low	214 Å²	214	115.2 Å²	115.2	81%	0.808	63%	0.627	S	S	*	*	H	α-helix	trans	-79.1	-31.2	-177.6	-80.4	-174.9	173.7	178.3	-0.6	113.1	E450 E451 I455	E450-R453 PolarHBondContact O-N 3.35Å; E451-R453 VanDerWaalsContact C-N 3.34Å; E451-R453 PolarHBondContact O-N 3.5Å; R453-I455 VanDerWaalsContact C-N 3.25Å; R453-I455 PolarHBondContact O-N 2.95Å
454	A	41.4	Very low	44	Very low	57 Å²	57	108.7 Å²	108.7	47%	0.471	60%	0.597	S	S	.	*	H	α-helix	trans	-71.2	-22.4	175.2	0	0	0	0	0	112.7
455	I	42.9	Very low	46.3	Very low	64 Å²	64	112.6 Å²	112.6	33%	0.328	61%	0.606	S	S	.	*	H	α-helix	trans	-103.3	-9.8	-174.1	-52.6	171.8	0	0	0	111.4	P431 V434 E451 R453 G457 F458	P431-I455 HydrophobicContact CB-CD1 3.72Å; P431-I455 HydrophobicContact CG-CD1 3.82Å; V434-I455 HydrophobicContact CG2-CD1 4.46Å; V434-I455 HydrophobicContact CG2-CG2 4.03Å; E451-I455 WeakPolarHBondContact O-CD1 3.47Å; R453-I455 VanDerWaalsContact C-N 3.25Å; R453-I455 PolarHBondContact O-N 2.95Å; I455-G457 VanDerWaalsContact C-N 3.3Å; I455-G457 PolarHBondContact O-N 3.44Å; I455-F458 PolarHBondContact O-N 2.93Å
456	Q	34.3	Very low	49	Very low	167 Å²	167	111 Å²	111	78%	0.78	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	82	179.1	-127.1	-179.1	12.6	0	0	111	A452	A452-Q456 WeakPolarHBondContact O-CB 3.28Å; A452-Q456 PolarHBondContact O-N 3.46Å
457	G	38.8	Very low	51.8	Low	69 Å²	69	105.8 Å²	105.8	71%	0.711	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	129.3	9.1	174.8	0	0	0	0	0	115.9	I455 N459	I455-G457 VanDerWaalsContact C-N 3.3Å; I455-G457 PolarHBondContact O-N 3.44Å; G457-N459 PolarHBondContact O-N 3.25Å
458	F	42.9	Very low	54.3	Low	75 Å²	75	106 Å²	106	33%	0.329	55%	0.55	S	S	.	.			trans	-63.7	104.1	176.3	-165.8	-96.8	0	0	0	110.4	L421 I455	L421-F458 HydrophobicContact CD2-CE2 3.76Å; L421-F458 HydrophobicContact CD2-CZ 3.78Å; L421-F458 HydrophobicContact CG-CZ 4.17Å; I455-F458 PolarHBondContact O-N 2.93Å
459	N	46.8	Very low	56.7	Low	86 Å²	86	99.9 Å²	99.9	46%	0.46	52%	0.521	S	S	.	.			trans	-89.8	128.2	168.6	-179.6	-10.7	0	0	0	107.3	G457 Q461 H462	G457-N459 PolarHBondContact O-N 3.25Å; N459-Q461 PolarHBondContact O-N 3.19Å; N459-Q461 PolarHBondContact OD1-N 3.34Å; N459-H462 HydrophobicContact CB-CB 4.28Å; N459-H462 VanDerWaalsContact O-CB 3.24Å; N459-H462 WeakPolarHBondContact O-CB 3.38Å; N459-H462 PolarHBondContact O-N 2.97Å
460	P	47.3	Very low	58.8	Low	81 Å²	81	96.2 Å²	96.2	53%	0.526	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-12.2	177.6	-26.4	33.4	0	0	0	115.7	Q420	Q420-P460 PolarHBondContact NE2-O 3.47Å; Q420-P460 VanDerWaalsContact OE1-CA 3.26Å; Q420-P460 PolarHBondContact OE1-O 3.06Å
461	Q	51.7	Low	61	Low	167 Å²	167	93.1 Å²	93.1	78%	0.78	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-3.6	176	-62.7	-179.6	-3	0	0	113.9	N459 K463	N459-Q461 PolarHBondContact O-N 3.19Å; N459-Q461 PolarHBondContact OD1-N 3.34Å; Q461-K463 PolarHBondContact O-N 2.94Å
462	H	67.8	Low	63.1	Low	81 Å²	81	89.5 Å²	89.5	38%	0.375	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-74.9	126.1	-178.3	-173	60.5	0	0	0	110.2	N459 E469	N459-H462 HydrophobicContact CB-CB 4.28Å; N459-H462 VanDerWaalsContact O-CB 3.24Å; N459-H462 WeakPolarHBondContact O-CB 3.38Å; N459-H462 PolarHBondContact O-N 2.97Å; H462-E469 IonicContact CD2-OE1 3.93Å; H462-E469 PolarHBondContact CD2-OE1 2.89Å; H462-E469 VanDerWaalsContact CD2-OE1 3.25Å; H462-E469 IonicContact CE1-OE1 3.6Å; H462-E469 IonicContact NE2-OE1 2.99Å; H462-E469 PolarHBondContact NE2-OE1 3.38Å; H462-E469 IonicContact NE2-OE2 3.58Å
463	K	70.2	Confident	65.2	Low	169 Å²	169	89.1 Å²	89.1	74%	0.735	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-98.4	132.3	173.5	-66.7	-175.9	178.1	-175.9	0	107.9	Q461 Q465	Q461-K463 PolarHBondContact O-N 2.94Å; K463-Q465 WeakPolarHBondContact O-CG 3.34Å; K463-Q465 PolarHBondContact O-N 3.47Å
464	I	77.6	Confident	67.4	Low	41 Å²	41	78.9 Å²	78.9	21%	0.21	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-57.1	127.2	172.9	-60.7	170	0	0	0	108.6	V311 L424 E469 A470 L473	V311-I464 HydrophobicContact CB-CD1 3.9Å; V311-I464 HydrophobicContact CG1-CD1 4.15Å; V311-I464 HydrophobicContact CG2-CD1 4.04Å; L424-I464 HydrophobicContact CD1-CD1 3.54Å; I464-E469 HydrophobicContact CG2-CB 4.26Å; I464-E469 HydrophobicContact CG2-CG 4.21Å; I464-A470 HydrophobicContact CG2-CB 3.84Å; I464-L473 HydrophobicContact CD1-CD1 3.81Å; I464-L473 HydrophobicContact CG1-CD1 3.83Å
465	Q	80.9	Confident	69.5	Low	163 Å²	163	80.4 Å²	80.4	76%	0.762	42%	0.416	S	S	*	.			trans	-112.3	-14.9	-171.6	-53.3	-166.8	1	0	0	113.9	K463 E469	K463-Q465 WeakPolarHBondContact O-CG 3.34Å; K463-Q465 PolarHBondContact O-N 3.47Å; Q465-E469 PolarHBondContact N-OE2 3.17Å
466	S	88.4	Confident	71.4	Confident	47 Å²	47	80.9 Å²	80.9	33%	0.329	42%	0.419	S	S	.	.	S	Bend	trans	-143.9	163	-179.4	81.7	0	0	0	0	113.8	E468 E469 A470	S466-E468 PolarHBondContact OG-OE2 3.41Å; S466-E469 PolarHBondContact O-N 2.99Å; S466-E469 PolarHBondContact OG-N 3.44Å; S466-A470 PolarHBondContact O-N 3.09Å; S466-A470 VanDerWaalsContact O-N 3.08Å
467	F	90.9	Very high	73.9	Confident	19 Å²	19	73.2 Å²	73.2	8%	0.083	38%	0.383	C	S	.	.	H	α-helix	trans	-58.6	-45.9	173.7	176.9	-92.6	0	0	0	111.8	A280 D282 Y312 N314 E469 A470 R471	A280-F467 HydrophobicContact CB-CE2 4.32Å; A280-F467 HydrophobicContact CB-CZ 4.18Å; A280-F467 WeakPolarHBondContact O-CZ 3.43Å; D282-F467 HydrophobicContact CB-CB 4.31Å; D282-F467 HydrophobicContact CB-CD1 4.02Å; D282-F467 HydrophobicContact CB-CD2 3.9Å; D282-F467 HydrophobicContact CB-CE1 4.35Å; D282-F467 HydrophobicContact CB-CE2 4.21Å; D282-F467 HydrophobicContact CB-CG 3.8Å; D282-F467 HydrophobicContact CB-CZ 4.45Å; Y312-F467 AromaticContact CD1-CD2 3.68Å; Y312-F467 HydrophobicContact CD1-CD2 3.68Å; Y312-F467 AromaticContact CD1-CE2 3.52Å; Y312-F467 HydrophobicContact CD1-CE2 3.52Å; Y312-F467 HydrophobicContact CD1-CG 4.5Å; Y312-F467 HydrophobicContact CD1-CZ 4.21Å; Y312-F467 HydrophobicContact CE1-CE2 4.16Å; Y312-F467 HydrophobicContact CE1-CZ 4.42Å; N314-F467 HydrophobicContact CB-CD2 3.79Å; N314-F467 HydrophobicContact CB-CE2 3.81Å; F467-E469 VanDerWaalsContact C-N 3.29Å; F467-E469 PolarHBondContact O-N 3.46Å; F467-A470 PolarHBondContact O-N 3.39Å; F467-R471 WeakPolarHBondContact O-CB 3.4Å; F467-R471 PolarHBondContact O-N 3.15Å
468	E	89.6	Confident	76.4	Confident	129 Å²	129	71.2 Å²	71.2	60%	0.603	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-35.6	-179.7	-65.2	74.7	-163.8	0	0	112.1	S466 G472	S466-E468 PolarHBondContact OG-OE2 3.41Å; E468-G472 PolarHBondContact O-N 3.36Å
469	E	85.6	Confident	78.7	Confident	53 Å²	53	73.8 Å²	73.8	25%	0.248	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-48.3	176.2	-175.7	-176	-178.7	0	0	111.1	H462 I464 Q465 S466 F467 R471 G472 L473	H462-E469 IonicContact CD2-OE1 3.93Å; H462-E469 PolarHBondContact CD2-OE1 2.89Å; H462-E469 VanDerWaalsContact CD2-OE1 3.25Å; H462-E469 IonicContact CE1-OE1 3.6Å; H462-E469 IonicContact NE2-OE1 2.99Å; H462-E469 PolarHBondContact NE2-OE1 3.38Å; H462-E469 IonicContact NE2-OE2 3.58Å; I464-E469 HydrophobicContact CG2-CB 4.26Å; I464-E469 HydrophobicContact CG2-CG 4.21Å; Q465-E469 PolarHBondContact N-OE2 3.17Å; S466-E469 PolarHBondContact O-N 2.99Å; S466-E469 PolarHBondContact OG-N 3.44Å; F467-E469 VanDerWaalsContact C-N 3.29Å; F467-E469 PolarHBondContact O-N 3.46Å; E469-R471 VanDerWaalsContact C-N 3.32Å; E469-R471 PolarHBondContact O-N 3.43Å; E469-G472 PolarHBondContact O-N 3.26Å; E469-L473 HydrophobicContact CG-CD1 4.37Å; E469-L473 WeakPolarHBondContact O-CG 3.38Å; E469-L473 PolarHBondContact O-N 3.37Å
470	A	83.6	Confident	80.8	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-57.1	-47.9	175.6	0	0	0	0	0	111	V311 Y312 I464 S466 F467 G472 L473 D474	V311-A470 HydrophobicContact CG2-CB 4.32Å; Y312-A470 HydrophobicContact CD1-CB 3.98Å; Y312-A470 HydrophobicContact CD2-CB 3.56Å; Y312-A470 HydrophobicContact CE1-CB 4.29Å; Y312-A470 HydrophobicContact CE2-CB 3.88Å; Y312-A470 HydrophobicContact CG-CB 3.65Å; I464-A470 HydrophobicContact CG2-CB 3.84Å; S466-A470 PolarHBondContact O-N 3.09Å; S466-A470 VanDerWaalsContact O-N 3.08Å; F467-A470 PolarHBondContact O-N 3.39Å; A470-G472 VanDerWaalsContact C-N 3.32Å; A470-G472 PolarHBondContact O-N 3.42Å; A470-L473 PolarHBondContact O-N 3.38Å; A470-D474 VanDerWaalsContact O-CB 3.31Å; A470-D474 WeakPolarHBondContact O-CB 3.48Å; A470-D474 PolarHBondContact O-N 3Å
471	R	85.8	Confident	82.8	Confident	108 Å²	108	67.8 Å²	67.8	41%	0.408	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-40.8	177.1	-171.7	-178.5	179.6	-167.7	2.8	112.6	E279 Y312 F467 E469 D474 L475	E279-R471 IonicContact OE1-NH2 2.82Å; Y312-R471 HydrophobicContact CE1-CB 3.81Å; Y312-R471 HydrophobicContact CE1-CG 4.4Å; Y312-R471 WeakPolarHBondContact OH-CA 3.43Å; F467-R471 WeakPolarHBondContact O-CB 3.4Å; F467-R471 PolarHBondContact O-N 3.15Å; E469-R471 VanDerWaalsContact C-N 3.32Å; E469-R471 PolarHBondContact O-N 3.43Å; R471-D474 PolarHBondContact O-N 3.5Å; R471-L475 PolarHBondContact O-N 2.9Å
472	G	84.1	Confident	84.4	Confident	38 Å²	38	64.7 Å²	64.7	39%	0.392	32%	0.321	S	S	.	.	H	α-helix	trans	-66.5	-40.5	177.8	0	0	0	0	0	113	E468 E469 A470 D474 L475	E468-G472 PolarHBondContact O-N 3.36Å; E469-G472 PolarHBondContact O-N 3.26Å; A470-G472 VanDerWaalsContact C-N 3.32Å; A470-G472 PolarHBondContact O-N 3.42Å; G472-D474 VanDerWaalsContact C-N 3.32Å; G472-L475 WeakPolarHBondContact O-CB 3.37Å
473	L	80.8	Confident	84.8	Confident	43 Å²	43	66.9 Å²	66.9	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-70.4	-30.1	176.7	-68.8	172.2	0	0	0	112.7	L424 I464 E469 A470	L424-L473 HydrophobicContact CD1-CB 4.13Å; L424-L473 HydrophobicContact CD1-CD1 4.4Å; I464-L473 HydrophobicContact CD1-CD1 3.81Å; I464-L473 HydrophobicContact CG1-CD1 3.83Å; E469-L473 HydrophobicContact CG-CD1 4.37Å; E469-L473 WeakPolarHBondContact O-CG 3.38Å; E469-L473 PolarHBondContact O-N 3.37Å; A470-L473 PolarHBondContact O-N 3.38Å
474	D	84.4	Confident	84.3	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-87.4	-8.9	-177.7	-160.5	29.3	0	0	0	114.5	R119 L309 Y312 L424 A470 R471 G472 I476 N477 E478	R119-D474 IonicContact CZ-OD1 2.74Å; R119-D474 IonicContact NH2-OD1 2.8Å; R119-D474 PolarHBondContact NH2-OD1 3.36Å; R119-D474 IonicContact NH2-OD2 3.22Å; R119-D474 PolarHBondContact NH2-OD2 3.23Å; L309-D474 VanDerWaalsContact CD1-OD2 3.29Å; L309-D474 WeakPolarHBondContact CD1-OD2 3.35Å; Y312-D474 HydrophobicContact CE2-CB 4.08Å; Y312-D474 WeakPolarHBondContact OH-CB 3.15Å; Y312-D474 PolarHBondContact OH-OD2 3.13Å; L424-D474 HydrophobicContact CD2-CB 3.47Å; L424-D474 VanDerWaalsContact CD2-CB 3.47Å; A470-D474 VanDerWaalsContact O-CB 3.31Å; A470-D474 WeakPolarHBondContact O-CB 3.48Å; A470-D474 PolarHBondContact O-N 3Å; R471-D474 PolarHBondContact O-N 3.5Å; G472-D474 VanDerWaalsContact C-N 3.32Å; D474-I476 PolarHBondContact O-N 3.22Å; D474-N477 PolarHBondContact O-N 2.97Å; D474-N477 WeakPolarHBondContact OD1-CB 3.24Å; D474-N477 PolarHBondContact OD1-ND2 2.96Å; D474-E478 PolarHBondContact O-N 3.35Å
475	L	85.4	Confident	82.8	Confident	88 Å²	88	72.5 Å²	72.5	46%	0.461	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.9	-170.8	-174.3	66.4	0	0	0	113.7	V250 R471 G472 N477 E478	V250-L475 HydrophobicContact CG1-CD1 3.81Å; V250-L475 HydrophobicContact CG2-CD1 4.43Å; R471-L475 PolarHBondContact O-N 2.9Å; G472-L475 WeakPolarHBondContact O-CB 3.37Å; L475-N477 VanDerWaalsContact C-N 3.34Å; L475-N477 PolarHBondContact O-N 3.32Å; L475-E478 WeakPolarHBondContact O-CB 3.45Å; L475-E478 PolarHBondContact O-N 3.33Å
476	I	83.4	Confident	80.9	Confident	75 Å²	75	68.6 Å²	68.6	39%	0.385	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.9	178.7	-165.6	164.1	0	0	0	113	D474 E478 R479	D474-I476 PolarHBondContact O-N 3.22Å; I476-E478 VanDerWaalsContact C-N 3.29Å; I476-R479 WeakPolarHBondContact O-CB 3.45Å; I476-R479 PolarHBondContact O-N 3.18Å
477	N	86.3	Confident	78.4	Confident	6 Å²	6	75.4 Å²	75.4	3%	0.032	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-14.5	178.4	-56	-53.7	0	0	0	112.2	F157 L424 D474 L475	F157-N477 HydrophobicContact CE1-CB 3.96Å; F157-N477 HydrophobicContact CZ-CB 4.06Å; F157-N477 WeakPolarHBondContact CZ-O 3.39Å; L424-N477 PolarHBondContact O-ND2 2.97Å; D474-N477 PolarHBondContact O-N 2.97Å; D474-N477 WeakPolarHBondContact OD1-CB 3.24Å; D474-N477 PolarHBondContact OD1-ND2 2.96Å; L475-N477 VanDerWaalsContact C-N 3.34Å; L475-N477 PolarHBondContact O-N 3.32Å
478	E	89.9	Confident	75.6	Confident	26 Å²	26	83 Å²	83	12%	0.121	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.9	172.5	-64.4	-52.4	123.7	0	0	112.1	R119 R251 D474 L475 I476	R119-E478 IonicContact NH1-OE1 3.39Å; R119-E478 PolarHBondContact NH1-OE1 3.29Å; R251-E478 WeakPolarHBondContact CD-O 3.27Å; R251-E478 IonicContact CZ-OE2 3.4Å; R251-E478 PolarHBondContact NH1-O 3Å; R251-E478 IonicContact NH1-OE2 3.09Å; R251-E478 PolarHBondContact NH1-OE2 3.46Å; R251-E478 IonicContact NH2-OE2 3.54Å; D474-E478 PolarHBondContact O-N 3.35Å; L475-E478 WeakPolarHBondContact O-CB 3.45Å; L475-E478 PolarHBondContact O-N 3.33Å; I476-E478 VanDerWaalsContact C-N 3.29Å
479	R	92.3	Very high	72.8	Confident	129 Å²	129	84.9 Å²	84.9	49%	0.487	42%	0.416	S	S	.	.	S	Bend	trans	-85.5	147.9	178.6	-163.8	-179.8	179.4	167.5	2.9	112	R251 I476 P481	R251-R479 WeakPolarHBondContact O-CG 3.09Å; I476-R479 WeakPolarHBondContact O-CB 3.45Å; I476-R479 PolarHBondContact O-N 3.18Å; R479-P481 WeakPolarHBondContact O-CD 3.41Å
480	M	90.6	Very high	70.2	Confident	34 Å²	34	91.4 Å²	91.4	17%	0.167	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-58.7	125.3	167.8	-175.9	179.4	-76.9	0	0	110.4	W229 R251 C253	W229-M480 HydrophobicContact CD2-CE 4.16Å; W229-M480 HydrophobicContact CG-CE 4.47Å; W229-M480 HydrophobicContact CH2-CB 3.79Å; W229-M480 HydrophobicContact CH2-CG 4.27Å; W229-M480 HydrophobicContact CZ2-CB 4.11Å; W229-M480 HydrophobicContact CZ2-CE 3.72Å; W229-M480 HydrophobicContact CZ2-CG 4.14Å; W229-M480 HydrophobicContact CZ3-CB 4.14Å; R251-M480 PolarHBondContact O-N 2.98Å; C253-M480 HydrophobicContact CB-CB 4.42Å; C253-M480 HydrophobicContact CB-CE 3.86Å; C253-M480 HydrophobicContact CB-SD 3.98Å; C253-M480 WeakPolarHBondContact SG-CE 3.27Å
481	P	89.1	Confident	67.7	Low	8 Å²	8	94 Å²	94	5%	0.052	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-62	152.6	179.1	-25.2	33.9	0	0	0	112.6	H152 L153 Y156 R479	H152-P481 PolarHBondContact CE1-O 3.38Å; H152-P481 PolarHBondContact NE2-O 3.36Å; L153-P481 HydrophobicContact CD1-CG 3.38Å; Y156-P481 HydrophobicContact CD1-CB 3.99Å; Y156-P481 HydrophobicContact CD1-CG 3.47Å; Y156-P481 VanDerWaalsContact CD1-CG 3.47Å; Y156-P481 HydrophobicContact CD2-CB 3.6Å; Y156-P481 HydrophobicContact CD2-CG 4.04Å; Y156-P481 HydrophobicContact CE1-CB 4.34Å; Y156-P481 HydrophobicContact CE1-CG 3.99Å; Y156-P481 HydrophobicContact CE2-CB 3.98Å; Y156-P481 HydrophobicContact CE2-CG 4.49Å; Y156-P481 HydrophobicContact CG-CB 3.6Å; Y156-P481 HydrophobicContact CG-CG 3.49Å; Y156-P481 VanDerWaalsContact CG-CG 3.49Å; R479-P481 WeakPolarHBondContact O-CD 3.41Å
482	P	85.4	Confident	65.1	Low	102 Å²	102	94.3 Å²	94.3	66%	0.662	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-64.2	140.8	176.1	26.1	-33.3	0	0	0	111.5
483	R	76.9	Confident	62.5	Low	127 Å²	127	97.8 Å²	97.8	48%	0.479	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-71.2	142.7	174.6	-72.4	-178.2	166.7	-162.6	-11	110.9	A220 D485 S486	A220-R483 VanDerWaalsContact CB-CZ 3.41Å; R483-D485 PolarHBondContact O-N 3.14Å; R483-S486 WeakPolarHBondContact O-CB 2.97Å; R483-S486 PolarHBondContact O-N 2.7Å; R483-S486 VanDerWaalsContact O-N 3.16Å; R483-S486 PolarHBondContact O-OG 3.35Å
484	R	60.1	Low	60	Low	172 Å²	172	101.2 Å²	101.2	65%	0.649	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-60.3	-29.6	179.3	-76	-177.7	172.8	163.9	0.4	113.4	E155 S486 K487	E155-R484 IonicContact OE1-CZ 3.77Å; E155-R484 IonicContact OE1-NH1 2.99Å; E155-R484 PolarHBondContact OE1-NH1 3.08Å; E155-R484 IonicContact OE1-NH2 2.65Å; E155-R484 PolarHBondContact OE1-NH2 3.45Å; E155-R484 IonicContact OE2-CZ 3.84Å; E155-R484 IonicContact OE2-NH1 3.25Å; E155-R484 PolarHBondContact OE2-NH1 3.16Å; E155-R484 VanDerWaalsContact OE2-NH1 3.09Å; E155-R484 IonicContact OE2-NH2 2.62Å; R484-S486 PolarHBondContact O-N 3.39Å; R484-S486 VanDerWaalsContact O-N 3.14Å; R484-K487 PolarHBondContact O-N 2.85Å
485	D	46.1	Very low	57.6	Low	155 Å²	155	110.4 Å²	110.4	83%	0.829	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-68.8	-10.1	-179.8	-57.5	-30.2	0	0	0	113.9	R483 K487	R483-D485 PolarHBondContact O-N 3.14Å; D485-K487 VanDerWaalsContact C-N 3.28Å; D485-K487 PolarHBondContact O-N 2.91Å
486	S	39.3	Very low	55	Low	82 Å²	82	112.8 Å²	112.8	57%	0.573	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-79.6	-8.1	176.3	-21.7	0	0	0	0	113.1	R483 R484 Q488	R483-S486 WeakPolarHBondContact O-CB 2.97Å; R483-S486 PolarHBondContact O-N 2.7Å; R483-S486 VanDerWaalsContact O-N 3.16Å; R483-S486 PolarHBondContact O-OG 3.35Å; R484-S486 PolarHBondContact O-N 3.39Å; R484-S486 VanDerWaalsContact O-N 3.14Å; S486-Q488 PolarHBondContact O-N 2.9Å
487	K	36.1	Very low	52.4	Low	190 Å²	190	117.2 Å²	117.2	83%	0.826	61%	0.61	S	S	*	*			trans	-75.4	81.5	170.3	-72.9	-167.8	177.6	-173.5	0	109.3	R484 D485 N489	R484-K487 PolarHBondContact O-N 2.85Å; D485-K487 VanDerWaalsContact C-N 3.28Å; D485-K487 PolarHBondContact O-N 2.91Å; K487-N489 PolarHBondContact O-N 2.89Å; K487-N489 VanDerWaalsContact O-N 3.15Å
488	Q	33.3	Very low	49.7	Very low	177 Å²	177	124.7 Å²	124.7	83%	0.827	65%	0.649	S	S	*	*			trans	-54.3	116.6	160.1	-73	-177.8	-5.5	0	0	108.9	S486 E490	S486-Q488 PolarHBondContact O-N 2.9Å; Q488-E490 VanDerWaalsContact C-N 3.31Å; Q488-E490 PolarHBondContact O-N 2.76Å
489	N	30.1	Very low	47	Very low	170 Å²	170	129.2 Å²	129.2	91%	0.909	68%	0.681	S	S	*	*			trans	32.7	45.8	139	-98.3	2.7	0	0	0	119.3	K487 G491	K487-N489 PolarHBondContact O-N 2.89Å; K487-N489 VanDerWaalsContact O-N 3.15Å; N489-G491 PolarHBondContact O-N 2.85Å
490	E	30.7	Very low	44.1	Very low	190 Å²	190	128.3 Å²	128.3	89%	0.888	70%	0.701	S	S	*	*			trans	-86	100.1	153.1	-69.4	-153.7	158.7	0	0	107.7	Q488	Q488-E490 VanDerWaalsContact C-N 3.31Å; Q488-E490 PolarHBondContact O-N 2.76Å
491	G	30.9	Very low	41.1	Very low	55 Å²	55	129.9 Å²	129.9	57%	0.567	73%	0.726	S	S	*	*			trans	-54.2	164.5	170.7	0	0	0	0	0	111.6	N489	N489-G491 PolarHBondContact O-N 2.85Å
492	P	31.4	Very low	38.4	Very low	113 Å²	113	136.4 Å²	136.4	73%	0.734	77%	0.766	S	S	*	*	S	Bend	trans	-55.2	144.6	-178.8	24	-31.8	0	0	0	110.2	S494	P492-S494 PolarHBondContact O-N 3.21Å
493	P	31.1	Very low	35.8	Very low	111 Å²	111	134.8 Å²	134.8	72%	0.721	77%	0.768	S	S	*	*			trans	-60.6	110.9	-177.7	22.8	-30.5	0	0	0	109.4	F495	P493-F495 PolarHBondContact O-N 2.85Å
494	S	27.2	Very low	33.7	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	78%	0.783	S	S	*	*			trans	-63.8	101.3	172.4	-67.2	0	0	0	0	109	P492 N496	P492-S494 PolarHBondContact O-N 3.21Å; S494-N496 PolarHBondContact O-N 2.89Å
495	F	33.9	Very low	32.5	Very low	193 Å²	193	132.2 Å²	132.2	85%	0.846	79%	0.79	S	S	*	*			trans	-68.9	78.4	161	-81.3	-86.1	0	0	0	108.9	P493	P493-F495 PolarHBondContact O-N 2.85Å
496	N	31.8	Very low	31.8	Very low	139 Å²	139	132.9 Å²	132.9	74%	0.743	79%	0.794	S	S	*	*			trans	-167.8	91.3	161.2	-96.4	-20	0	0	0	109.5	S494	S494-N496 PolarHBondContact O-N 2.89Å
497	N	27.5	Very low	31.5	Very low	168 Å²	168	138.3 Å²	138.3	90%	0.898	81%	0.807	S	S	*	*			trans	-155	78.5	154.3	-93.9	-22.8	0	0	0	108.2
498	L	30.8	Very low	31.3	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	81%	0.811	S	S	*	*			trans	-86.1	132.6	157.5	-80.7	158.8	0	0	0	107.4	A500	L498-A500 PolarHBondContact O-N 2.85Å
499	P	31.7	Very low	31.2	Very low	121 Å²	121	132 Å²	132	79%	0.786	80%	0.804	S	S	*	*			trans	-69.3	129.4	174.1	26.8	-29.5	0	0	0	109.8	G501	P499-G501 PolarHBondContact O-N 2.91Å; P499-G501 VanDerWaalsContact O-N 3.13Å
500	A	31.6	Very low	31.4	Very low	110 Å²	110	130.1 Å²	130.1	91%	0.909	80%	0.799	S	S	*	*			trans	-63	109.1	177.4	0	0	0	0	0	110.9	L498	L498-A500 PolarHBondContact O-N 2.85Å
501	G	29	Very low	31.5	Very low	68 Å²	68	128.4 Å²	128.4	70%	0.701	80%	0.796	S	S	*	*			trans	-101.7	111.2	170.2	0	0	0	0	0	110.7	P499	P499-G501 PolarHBondContact O-N 2.91Å; P499-G501 VanDerWaalsContact O-N 3.13Å
502	T	31.9	Very low	31.7	Very low	144 Å²	144	129.7 Å²	129.7	88%	0.883	80%	0.801	S	S	*	*			trans	2.1	112.8	158.2	53.6	0	0	0	0	117.6
503	G	30.6	Very low	32	Very low	69 Å²	69	133.7 Å²	133.7	71%	0.711	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74	159.7	170.6	0	0	0	0	0	113.8
504	P	32.7	Very low	32.1	Very low	120 Å²	120	137 Å²	137	78%	0.779	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-82.8	165.7	178.2	28.5	-18.7	0	0	0	112.1
505	P	35.1	Very low	32.4	Very low	125 Å²	125	138.1 Å²	138.1	81%	0.812	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-80.5	133.8	-165.5	31.9	-32.7	0	0	0	112.7
506	D	31.3	Very low	32.3	Very low	168 Å²	168	135.2 Å²	135.2	90%	0.898	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-70.9	131.3	171.8	-83	-37.3	0	0	0	111.9
507	K	32.4	Very low	32.3	Very low	197 Å²	197	135 Å²	135	86%	0.857	85%	0.854	S	S	*	*			trans	-108.2	117.5	163.5	-84.1	-174.9	175.5	179.1	0	109.4
508	N	32.5	Very low	32.6	Very low	168 Å²	168	133.1 Å²	133.1	90%	0.898	85%	0.852	S	S	*	*			trans	46.2	130.3	145.2	-71.1	-7	0	0	0	121.4
509	G	31	Very low	32.7	Very low	67 Å²	67	131.3 Å²	131.3	69%	0.691	85%	0.852	S	S	*	*			trans	151.8	78.9	135.8	0	0	0	0	0	118.6
510	T	35.2	Very low	32.8	Very low	130 Å²	130	131.9 Å²	131.9	80%	0.798	86%	0.856	S	S	*	*			trans	34.3	119.7	133.9	49.9	0	0	0	0	122.1
511	N	32.1	Very low	32.9	Very low	154 Å²	154	133.5 Å²	133.5	82%	0.824	85%	0.852	S	S	*	*				162.1	114.4	116.1	-94.4	-12	0	0	0	109.1
512	A	34.6	Very low	33.1	Very low	81 Å²	81	138.5 Å²	138.5	67%	0.669	86%	0.864	S	S	*	*				81	109.8	77.1	0	0	0	0	0	114.4
513	Q	37.1	Very low	33.2	Very low	198 Å²	198	138.1 Å²	138.1	93%	0.925	86%	0.862	S	S	*	*			trans	52.2	113.3	142.9	-66.6	177	-13	0	0	119.9
514	A	34.4	Very low	33.5	Very low	180 Å²	180	144.4 Å²	144.4	100%	1.488	88%	0.876	S	S	*	*				-171	0	93.6	0	0	0	0	0	109.9

Retrieved 514 of 514 residues in 1497.2 ms (Link to these results)

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