A0A087YHR0_POEFO Loading...

Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1

AlphaFold DB , UniProt , Accession A0A087YHR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 732 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	34.6	Very low	238 Å²	238	170.9 Å²	170.9	100%	1.172	84%	0.835	S	S	*	*				0	126.7	0	-97.4	177.4	-138.2	0	0	108.9
2	K	33.5	Very low	34.8	Very low	203 Å²	203	172.4 Å²	172.4	88%	0.883	84%	0.843	S	S	*	*			trans	59.6	100.1	167.6	-57.8	-177.1	178.7	-178.9	0	115.9
3	R	33.9	Very low	34.6	Very low	235 Å²	235	167.9 Å²	167.9	89%	0.887	84%	0.837	S	S	*	*				50.5	117.3	60	-85	-162.4	-177.2	-164.8	2.2	115.3
4	L	33.8	Very low	34.7	Very low	161 Å²	161	167.4 Å²	167.4	84%	0.843	84%	0.838	S	S	*	*			trans	155.9	140.1	132.3	-101.2	89.7	0	0	0	107.3
5	C	29.8	Very low	34.9	Very low	113 Å²	113	164.8 Å²	164.8	76%	0.764	84%	0.84	S	S	*	*			cis	-162.7	145.7	5	-116	0	0	0	0	108.6
6	F	34.1	Very low	34.9	Very low	191 Å²	191	158.8 Å²	158.8	84%	0.838	82%	0.823	S	S	*	*			trans	-82	168.1	159.1	-97.5	-88.5	0	0	0	108.8
7	P	45.9	Very low	34.9	Very low	107 Å²	107	161.2 Å²	161.2	70%	0.695	83%	0.826	S	S	*	*			cis	-152.7	162.6	43.6	39.7	-16.2	0	0	0	120.1
8	I	34.7	Very low	34.8	Very low	138 Å²	138	158.3 Å²	158.3	71%	0.708	82%	0.822	S	S	*	*			trans	37.7	112.5	130.9	-50.3	165.6	0	0	0	118.1
9	L	30.3	Very low	34.7	Very low	184 Å²	184	155.3 Å²	155.3	96%	0.963	82%	0.816	S	S	*	*				-140.2	108.7	129.2	-134.4	93	0	0	0	109.5
10	S	33.7	Very low	34.6	Very low	81 Å²	81	156.1 Å²	156.1	57%	0.566	82%	0.82	S	S	*	*			trans	-87.1	147.9	175.5	-178.1	0	0	0	0	109.9
11	W	36.4	Very low	34.8	Very low	229 Å²	229	154.5 Å²	154.5	87%	0.867	82%	0.817	S	S	*	*			trans	67.9	86.3	150.3	-75.9	10.5	0	0	0	118.5
12	M	36.9	Very low	35	Very low	189 Å²	189	149.7 Å²	149.7	93%	0.931	80%	0.796	S	S	*	*	S	Bend	trans	-165.3	120.4	132.7	-107.9	178.4	177.1	0	0	107.9
13	C	32.3	Very low	35.1	Very low	114 Å²	114	145.8 Å²	145.8	77%	0.77	79%	0.793	S	S	*	*			trans	130.3	43	169.2	-73.2	0	0	0	0	114.7	C15	C13-C15 VanDerWaalsContact C-N 3.3Å
14	L	36.4	Very low	35.5	Very low	161 Å²	161	142 Å²	142	84%	0.843	79%	0.785	S	S	*	*	S	Bend	trans	-90.5	22.4	168.3	-112.2	153.6	0	0	0	113.4
15	C	37.7	Very low	36.7	Very low	128 Å²	128	140.1 Å²	140.1	87%	0.865	78%	0.776	S	S	*	*	S	Bend	trans	-137.9	38.7	178.8	-64.2	0	0	0	0	113.9	C13	C13-C15 VanDerWaalsContact C-N 3.3Å
16	A	34.1	Very low	38.8	Very low	69 Å²	69	143.3 Å²	143.3	57%	0.57	78%	0.779	S	S	*	*	S	Bend	trans	-137.4	21.6	174.3	0	0	0	0	0	114.4
17	F	34.7	Very low	41.2	Very low	199 Å²	199	143.4 Å²	143.4	87%	0.873	77%	0.774	S	S	*	*	S	Bend	trans	-119.4	38.8	178.5	-86.7	-77.8	0	0	0	113.1
18	S	33.2	Very low	43.3	Very low	109 Å²	109	139.5 Å²	139.5	76%	0.762	75%	0.747	S	S	*	*	S	Bend	trans	-133.3	26.4	174.6	65.6	0	0	0	0	114.2
19	S	32.9	Very low	46.1	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	73%	0.732	S	S	*	*			trans	-131.7	29.8	175	52.5	0	0	0	0	113.8	V21	S19-V21 VanDerWaalsContact C-N 3.28Å
20	L	33.9	Very low	49.1	Very low	171 Å²	171	131.7 Å²	131.7	90%	0.895	71%	0.708	S	S	*	*			trans	-97.3	64.2	154.6	-76.3	164.8	0	0	0	108.1	N22	L20-N22 PolarHBondContact O-N 3.21Å
21	V	37.5	Very low	51.9	Low	124 Å²	124	134.1 Å²	134.1	75%	0.752	72%	0.715	S	S	*	*			trans	-72.1	119.5	165.8	174.9	0	0	0	0	106.8	S19 C23	S19-V21 VanDerWaalsContact C-N 3.28Å; V21-C23 PolarHBondContact O-N 3.41Å
22	N	39.7	Very low	54.7	Low	136 Å²	136	126.2 Å²	126.2	73%	0.727	69%	0.686	S	S	*	*			trans	-9.5	107.4	158.4	-93.2	6.1	0	0	0	114.3	L20	L20-N22 PolarHBondContact O-N 3.21Å
23	C	34.7	Very low	57.5	Low	121 Å²	121	117.6 Å²	117.6	82%	0.818	64%	0.644	S	S	*	*			trans	-105.4	62.6	154	-154.5	0	0	0	0	107.6	V21 D25	V21-C23 PolarHBondContact O-N 3.41Å; C23-D25 PolarHBondContact O-N 2.92Å
24	E	43.4	Very low	60.7	Low	156 Å²	156	113.1 Å²	113.1	73%	0.729	61%	0.612	S	S	*	*			trans	-71.5	106.2	152.3	-77.6	-169.4	143.8	0	0	105.2	Q26	E24-Q26 PolarHBondContact O-N 3.31Å
25	D	58.4	Low	63.6	Low	121 Å²	121	105.4 Å²	105.4	65%	0.647	57%	0.572	S	S	*	*			trans	-46.4	112.5	165.6	-102.1	-29.7	0	0	0	107.3	C23 R27	C23-D25 PolarHBondContact O-N 2.92Å; D25-R27 PolarHBondContact O-N 3.42Å
26	Q	73	Confident	66.5	Low	180 Å²	180	99.3 Å²	99.3	84%	0.841	53%	0.531	S	S	*	.			trans	-54.1	113.3	179.2	-97	-177.8	-16.9	0	0	108	E24 I28 Q123	E24-Q26 PolarHBondContact O-N 3.31Å; Q26-I28 PolarHBondContact O-N 2.94Å; Q26-Q123 PolarHBondContact O-NE2 2.89Å
27	R	86.2	Confident	69.6	Low	194 Å²	194	96 Å²	96	73%	0.732	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-63.1	133.6	178.6	-68.1	-178.2	-176.4	167.8	3.6	108.7	D25 P29	D25-R27 PolarHBondContact O-N 3.42Å; R27-P29 VanDerWaalsContact O-CD 3.31Å; R27-P29 WeakPolarHBondContact O-CD 2.94Å
28	I	89.6	Confident	72.5	Confident	25 Å²	25	87 Å²	87	13%	0.128	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-67.3	123.7	174.7	-59.3	168.6	0	0	0	107.5	Q26 K32 V100 L119 F122 Q123 Y165	Q26-I28 PolarHBondContact O-N 2.94Å; I28-K32 HydrophobicContact CG2-CB 4.02Å; I28-V100 HydrophobicContact CD1-CG2 4.07Å; I28-V100 HydrophobicContact CG2-CG2 4.13Å; I28-L119 HydrophobicContact CB-CD2 4.1Å; I28-L119 HydrophobicContact CD1-CD2 4.39Å; I28-L119 HydrophobicContact CG2-CD1 4.46Å; I28-L119 HydrophobicContact CG2-CD2 3.88Å; I28-F122 HydrophobicContact CD1-CD1 4.28Å; I28-F122 HydrophobicContact CD1-CE1 4.42Å; I28-Q123 HydrophobicContact CD1-CG 3.65Å; I28-Q123 HydrophobicContact CG1-CG 4.06Å; I28-Y165 HydrophobicContact CD1-CE1 4.31Å
29	P	92.7	Very high	75.5	Confident	58 Å²	58	82 Å²	82	38%	0.377	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-61.2	145.4	175.7	-24.6	36.5	0	0	0	112.1	R27 D31 K32	R27-P29 VanDerWaalsContact O-CD 3.31Å; R27-P29 WeakPolarHBondContact O-CD 2.94Å; P29-D31 VanDerWaalsContact C-N 3.28Å; P29-D31 WeakPolarHBondContact CB-OD1 3.34Å; P29-D31 PolarHBondContact O-N 2.68Å; P29-K32 HydrophobicContact CB-CG 4.3Å; P29-K32 WeakPolarHBondContact O-CB 3.31Å; P29-K32 PolarHBondContact O-N 3.21Å; P29-K32 VanDerWaalsContact O-N 3.11Å
30	E	93.4	Very high	78.4	Confident	99 Å²	99	77.9 Å²	77.9	46%	0.463	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-65.7	-30.3	-175.4	-65	-179.3	-145.5	0	0	112.8	K32 L33 P115 K116 L119	E30-K32 PolarHBondContact O-N 3.25Å; E30-L33 WeakPolarHBondContact O-CB 3.31Å; E30-L33 PolarHBondContact O-N 2.67Å; E30-P115 HydrophobicContact CB-CB 4.3Å; E30-P115 HydrophobicContact CG-CB 4.15Å; E30-K116 WeakPolarHBondContact OE1-CB 3.44Å; E30-L119 HydrophobicContact CG-CD1 4.35Å
31	D	92.8	Very high	81.2	Confident	133 Å²	133	77.1 Å²	77.1	71%	0.711	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-66.5	-16.3	175.3	60.2	-54.2	0	0	0	113.4	P29 L33	P29-D31 VanDerWaalsContact C-N 3.28Å; P29-D31 WeakPolarHBondContact CB-OD1 3.34Å; P29-D31 PolarHBondContact O-N 2.68Å; D31-L33 VanDerWaalsContact C-N 3.31Å
32	K	94.4	Very high	83.8	Confident	63 Å²	63	76.5 Å²	76.5	27%	0.274	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-83.5	-2.7	172.1	-60	-158.8	-175.2	-167	0	113.6	I28 P29 E30 D98 Q99 V100	I28-K32 HydrophobicContact CG2-CB 4.02Å; P29-K32 HydrophobicContact CB-CG 4.3Å; P29-K32 WeakPolarHBondContact O-CB 3.31Å; P29-K32 PolarHBondContact O-N 3.21Å; P29-K32 VanDerWaalsContact O-N 3.11Å; E30-K32 PolarHBondContact O-N 3.25Å; K32-D98 VanDerWaalsContact CE-OD2 3.31Å; K32-D98 WeakPolarHBondContact CE-OD2 3.39Å; K32-D98 IonicContact NZ-OD2 2.67Å; K32-D98 PolarHBondContact NZ-OD2 3.36Å; K32-Q99 WeakPolarHBondContact O-CG 3.39Å; K32-V100 PolarHBondContact O-N 3.11Å
33	L	97.6	Very high	86.3	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.7	174.5	-179.4	63.9	0	0	0	110.9	E30 D31 Y58 V100 L102 P115 L118 L119 M163	E30-L33 WeakPolarHBondContact O-CB 3.31Å; E30-L33 PolarHBondContact O-N 2.67Å; D31-L33 VanDerWaalsContact C-N 3.31Å; L33-Y58 HydrophobicContact CD2-CD1 3.88Å; L33-Y58 HydrophobicContact CD2-CE1 3.67Å; L33-V100 WeakPolarHBondContact CA-O 3.37Å; L33-L102 HydrophobicContact CD1-CB 4.17Å; L33-P115 HydrophobicContact CD2-CB 3.88Å; L33-P115 HydrophobicContact CD2-CG 4.44Å; L33-L118 HydrophobicContact CD1-CD2 4.49Å; L33-L118 HydrophobicContact CD2-CD2 3.83Å; L33-L119 HydrophobicContact CB-CD1 4.28Å; L33-L119 HydrophobicContact CB-CD2 4.42Å; L33-L119 HydrophobicContact CD1-CD2 4.46Å; L33-M163 HydrophobicContact CD1-CE 3.59Å
34	L	97.8	Very high	89.2	Confident	20 Å²	20	66.8 Å²	66.8	11%	0.105	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128	167.4	175.7	67.5	0	0	0	110.4	L36 T59 K61 M94 Q99 V100 I101 L102	L34-L36 HydrophobicContact CD2-CD2 3.89Å; L34-L36 HydrophobicContact CG-CD2 4.03Å; L34-T59 HydrophobicContact CD1-CG2 3.9Å; L34-K61 HydrophobicContact CD1-CB 4.09Å; L34-M94 HydrophobicContact CD2-CE 3.58Å; L34-Q99 VanDerWaalsContact CB-NE2 3.29Å; L34-V100 PolarHBondContact N-O 3.33Å; L34-I101 HydrophobicContact CB-CD1 3.86Å; L34-I101 HydrophobicContact CD2-CD1 3.99Å; L34-I101 HydrophobicContact CG-CD1 4.22Å; L34-I101 WeakPolarHBondContact O-CA 3.35Å; L34-L102 PolarHBondContact O-N 3.48Å
35	V	98.6	Very high	91.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123	172.9	-174.2	0	0	0	0	108.6	F49 Y58 T59 V60 K61 L102 I104 F111	V35-F49 HydrophobicContact CG1-CZ 4.29Å; V35-Y58 HydrophobicContact CG2-CD1 3.62Å; V35-Y58 HydrophobicContact CG2-CE1 4.46Å; V35-Y58 HydrophobicContact CG2-CG 4.21Å; V35-T59 WeakPolarHBondContact CB-O 3.43Å; V35-T59 PolarHBondContact N-O 2.83Å; V35-V60 HydrophobicContact CB-CB 4.5Å; V35-V60 HydrophobicContact CB-CG2 4.1Å; V35-V60 HydrophobicContact CG1-CG2 4.38Å; V35-V60 CarbonylContact O-C 3.54Å; V35-V60 WeakPolarHBondContact O-CA 3.44Å; V35-K61 PolarHBondContact O-N 3.06Å; V35-L102 CarbonylContact C-O 3.56Å; V35-L102 WeakPolarHBondContact CA-O 3.42Å; V35-L102 HydrophobicContact CG1-CD2 4.16Å; V35-L102 HydrophobicContact CG1-CG 4.39Å; V35-L102 HydrophobicContact CG2-CB 4.39Å; V35-L102 HydrophobicContact CG2-CD2 3.98Å; V35-I104 HydrophobicContact CG1-CG2 3.72Å; V35-F111 HydrophobicContact CG1-CZ 4.17Å; V35-F111 HydrophobicContact CG2-CZ 4.34Å
36	L	98.3	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.3	169.6	-62.9	-173.1	0	0	0	109	L34 K61 L87 V91 M94 I101 L102 F103 I104	L34-L36 HydrophobicContact CD2-CD2 3.89Å; L34-L36 HydrophobicContact CG-CD2 4.03Å; L36-K61 HydrophobicContact CD2-CB 3.71Å; L36-K61 HydrophobicContact CD2-CD 3.98Å; L36-K61 HydrophobicContact CD2-CG 4.08Å; L36-L87 HydrophobicContact CD1-CD1 3.61Å; L36-V91 HydrophobicContact CD1-CG1 4.23Å; L36-M94 HydrophobicContact CD1-CE 3.78Å; L36-M94 HydrophobicContact CD2-CE 3.87Å; L36-M94 HydrophobicContact CG-CE 4.3Å; L36-I101 HydrophobicContact CB-CG2 4.22Å; L36-I101 HydrophobicContact CD1-CD1 4.44Å; L36-I101 HydrophobicContact CD1-CG2 3.67Å; L36-I101 HydrophobicContact CG-CG2 3.76Å; L36-L102 PolarHBondContact N-O 3.35Å; L36-F103 HydrophobicContact CB-CD2 3.92Å; L36-F103 WeakPolarHBondContact O-CA 3.47Å; L36-I104 PolarHBondContact O-N 3.21Å
37	T	98.3	Very high	94.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.6	173.4	-167.1	0	0	0	0	110.5	F46 F49 V60 K61 V62 L63 I104 S106	T37-F46 HydrophobicContact CG2-CE2 4.36Å; T37-F49 HydrophobicContact CG2-CE1 3.9Å; T37-F49 HydrophobicContact CG2-CZ 4.3Å; T37-V60 HydrophobicContact CG2-CG1 3.93Å; T37-K61 PolarHBondContact N-O 2.83Å; T37-V62 HydrophobicContact CG2-CG2 4.32Å; T37-V62 CarbonylContact O-C 3.58Å; T37-L63 PolarHBondContact O-N 3.03Å; T37-I104 WeakPolarHBondContact CA-O 3.44Å; T37-I104 WeakPolarHBondContact CB-O 3.48Å; T37-I104 PolarHBondContact OG1-O 3.16Å; T37-S106 VanDerWaalsContact OG1-CB 3.24Å; T37-S106 WeakPolarHBondContact OG1-CB 3.43Å
38	V	97.2	Very high	95.2	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128	175.6	178.6	0	0	0	0	108.4	L63 W69 K83 L86 F103 S106	V38-L63 WeakPolarHBondContact CA-O 3.44Å; V38-L63 HydrophobicContact CG2-CB 4.15Å; V38-W69 HydrophobicContact CG1-CZ3 4.38Å; V38-K83 HydrophobicContact CB-CD 4.4Å; V38-K83 HydrophobicContact CB-CG 4Å; V38-K83 HydrophobicContact CG1-CG 4.11Å; V38-K83 HydrophobicContact CG2-CB 4.03Å; V38-K83 HydrophobicContact CG2-CG 3.94Å; V38-L86 HydrophobicContact CG1-CD1 3.87Å; V38-L86 HydrophobicContact CG2-CD1 4.31Å; V38-F103 HydrophobicContact CG2-CE2 4.11Å; V38-F103 HydrophobicContact CG2-CZ 3.98Å; V38-S106 PolarHBondContact O-OG 3.49Å; V38-S106 VanDerWaalsContact O-OG 3.1Å
39	A	96.3	Very high	95.6	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	20%	0.201	C	C	.	.			trans	-148.8	119	172.8	0	0	0	0	0	108.8	F46 V62 L63 G64 Q65 Y107	A39-F46 HydrophobicContact CB-CD2 3.52Å; A39-F46 HydrophobicContact CB-CE2 3.46Å; A39-F46 VanDerWaalsContact CB-CE2 3.46Å; A39-F46 HydrophobicContact CB-CG 4.17Å; A39-F46 HydrophobicContact CB-CZ 4.03Å; A39-V62 HydrophobicContact CB-CG1 3.78Å; A39-L63 PolarHBondContact N-O 3.5Å; A39-L63 VanDerWaalsContact N-O 3.13Å; A39-G64 CarbonylContact O-C 3.51Å; A39-Q65 WeakPolarHBondContact O-CA 3.11Å; A39-Q65 PolarHBondContact O-N 3.27Å; A39-Y107 HydrophobicContact CB-CE1 3.91Å
40	T	93.4	Very high	95.9	Very high	14 Å²	14	41.6 Å²	41.6	9%	0.086	20%	0.198	C	C	.	.	S	Bend	trans	-85.1	-24.6	178.4	50.9	0	0	0	0	112.2	G64 G66 E67 W69 Y107	T40-G64 WeakPolarHBondContact CA-O 3.11Å; T40-G66 PolarHBondContact O-N 2.78Å; T40-E67 WeakPolarHBondContact CB-O 3.23Å; T40-E67 WeakPolarHBondContact CG2-O 3.39Å; T40-W69 HydrophobicContact CG2-CB 4.1Å; T40-W69 HydrophobicContact CG2-CE3 4.13Å; T40-Y107 PolarHBondContact N-OH 2.97Å; T40-Y107 PolarHBondContact OG1-OH 2.9Å
41	K	91.1	Very high	96	Very high	156 Å²	156	40.9 Å²	40.9	68%	0.678	19%	0.191	S	C	*	.	S	Bend	trans	-141.3	159.2	179.7	-63.1	-176.9	-178.6	179.3	0	111.1	T43 Y107	K41-T43 HydrophobicContact CB-CG2 4.39Å; K41-T43 PolarHBondContact O-N 2.98Å; K41-Y107 PolarHBondContact N-OH 3.46Å; K41-Y107 PolarHBondContact O-OH 3.34Å
42	E	92.7	Very high	96.2	Very high	110 Å²	110	34.7 Å²	34.7	51%	0.514	16%	0.158	S	C	.	.			trans	-87.3	81.3	175.3	-159.6	-167.3	135.9	0	0	110.9	F46 R47	E42-F46 HydrophobicContact CB-CD1 4.39Å; E42-F46 HydrophobicContact CG-CD1 3.8Å; E42-F46 HydrophobicContact CG-CE1 4.22Å; E42-R47 HydrophobicContact CG-CG 4.06Å; E42-R47 PolarHBondContact O-NH2 3.02Å; E42-R47 IonicContact OE1-CZ 3.55Å; E42-R47 IonicContact OE1-NE 2.71Å; E42-R47 PolarHBondContact OE1-NE 3.48Å; E42-R47 IonicContact OE1-NH2 2.75Å
43	T	93.6	Very high	96.4	Very high	36 Å²	36	31.7 Å²	31.7	22%	0.221	15%	0.145	C	C	.	.			trans	-82.1	167.3	178.8	66.2	0	0	0	0	112	K41 G45 F46 R47 Y107	K41-T43 HydrophobicContact CB-CG2 4.39Å; K41-T43 PolarHBondContact O-N 2.98Å; T43-G45 VanDerWaalsContact C-N 3.3Å; T43-G45 PolarHBondContact O-N 3.28Å; T43-F46 WeakPolarHBondContact O-CB 3.41Å; T43-F46 PolarHBondContact O-N 3.25Å; T43-F46 WeakPolarHBondContact OG1-CB 3.38Å; T43-F46 PolarHBondContact OG1-N 3.15Å; T43-F46 VanDerWaalsContact OG1-N 3.13Å; T43-R47 WeakPolarHBondContact O-CG 3.44Å; T43-R47 PolarHBondContact O-N 3.11Å; T43-Y107 HydrophobicContact CG2-CD1 4.43Å; T43-Y107 HydrophobicContact CG2-CE1 3.99Å; T43-Y107 HydrophobicContact CG2-CE2 4.11Å; T43-Y107 VanDerWaalsContact OG1-CD1 3.27Å; T43-Y107 WeakPolarHBondContact OG1-CD1 3.43Å; T43-Y107 WeakPolarHBondContact OG1-CE1 3.42Å
44	D	94.8	Very high	96.4	Very high	18 Å²	18	39.3 Å²	39.3	10%	0.096	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-39.8	174.8	-68.7	-28.2	0	0	0	112.5	F46 R47 R48 F498	D44-F46 PolarHBondContact O-N 3.48Å; D44-R47 PolarHBondContact O-N 2.77Å; D44-R47 IonicContact OD1-NH1 3.31Å; D44-R47 PolarHBondContact OD1-NH1 3.42Å; D44-R48 PolarHBondContact O-N 3.32Å; D44-F498 HydrophobicContact CB-CB 4.15Å; D44-F498 HydrophobicContact CB-CD1 4.07Å; D44-F498 HydrophobicContact CB-CD2 3.49Å; D44-F498 VanDerWaalsContact CB-CD2 3.49Å; D44-F498 HydrophobicContact CB-CE1 4.34Å; D44-F498 HydrophobicContact CB-CE2 3.8Å; D44-F498 HydrophobicContact CB-CG 3.63Å; D44-F498 HydrophobicContact CB-CZ 4.22Å; D44-F498 PolarHBondContact OD2-N 2.71Å
45	G	96.5	Very high	96.3	Very high	3 Å²	3	42 Å²	42	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-45.2	172.8	0	0	0	0	0	112.8	T43 R48 F49 Y107	T43-G45 VanDerWaalsContact C-N 3.3Å; T43-G45 PolarHBondContact O-N 3.28Å; G45-R48 WeakPolarHBondContact O-CB 3.29Å; G45-R48 PolarHBondContact O-N 3.04Å; G45-F49 PolarHBondContact O-N 3.45Å; G45-Y107 WeakPolarHBondContact CA-O 3.38Å
46	F	97.1	Very high	96.2	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.057	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-42.3	176.1	-178.5	-110	0	0	0	112.7	T37 A39 E42 T43 D44 R48 F49 L50 V62 S106 Y107	T37-F46 HydrophobicContact CG2-CE2 4.36Å; A39-F46 HydrophobicContact CB-CD2 3.52Å; A39-F46 HydrophobicContact CB-CE2 3.46Å; A39-F46 VanDerWaalsContact CB-CE2 3.46Å; A39-F46 HydrophobicContact CB-CG 4.17Å; A39-F46 HydrophobicContact CB-CZ 4.03Å; E42-F46 HydrophobicContact CB-CD1 4.39Å; E42-F46 HydrophobicContact CG-CD1 3.8Å; E42-F46 HydrophobicContact CG-CE1 4.22Å; T43-F46 WeakPolarHBondContact O-CB 3.41Å; T43-F46 PolarHBondContact O-N 3.25Å; T43-F46 WeakPolarHBondContact OG1-CB 3.38Å; T43-F46 PolarHBondContact OG1-N 3.15Å; T43-F46 VanDerWaalsContact OG1-N 3.13Å; D44-F46 PolarHBondContact O-N 3.48Å; F46-R48 VanDerWaalsContact C-N 3.33Å; F46-R48 PolarHBondContact O-N 3.13Å; F46-F49 HydrophobicContact CD2-CD1 4.45Å; F46-F49 HydrophobicContact CE2-CD1 4.41Å; F46-F49 WeakPolarHBondContact O-CB 3.49Å; F46-F49 PolarHBondContact O-N 3.35Å; F46-L50 HydrophobicContact CD1-CD1 3.98Å; F46-L50 HydrophobicContact CD1-CG 4.38Å; F46-L50 HydrophobicContact CE1-CD1 3.29Å; F46-L50 HydrophobicContact CE1-CG 3.91Å; F46-L50 HydrophobicContact CE2-CD1 4.35Å; F46-L50 HydrophobicContact CE2-CD2 4.37Å; F46-L50 HydrophobicContact CE2-CG 4.13Å; F46-L50 HydrophobicContact CZ-CD1 3.5Å; F46-L50 HydrophobicContact CZ-CD2 4.07Å; F46-L50 HydrophobicContact CZ-CG 3.75Å; F46-L50 PolarHBondContact O-N 2.9Å; F46-V62 HydrophobicContact CE2-CG1 4.32Å; F46-V62 HydrophobicContact CE2-CG2 4.18Å; F46-V62 HydrophobicContact CZ-CG1 4.13Å; F46-V62 HydrophobicContact CZ-CG2 3.73Å; F46-S106 WeakPolarHBondContact CD2-OG 3.28Å; F46-Y107 HydrophobicContact CB-CD1 3.83Å; F46-Y107 HydrophobicContact CB-CE1 3.9Å; F46-Y107 HydrophobicContact CD2-CE1 4.48Å; F46-Y107 HydrophobicContact CG-CE1 4.45Å
47	R	96.2	Very high	96.2	Very high	107 Å²	107	49.8 Å²	49.8	40%	0.404	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-41.5	175.2	-69.3	179.9	-168.2	113.4	7.9	111.6	E42 T43 D44 L50 R51	E42-R47 HydrophobicContact CG-CG 4.06Å; E42-R47 PolarHBondContact O-NH2 3.02Å; E42-R47 IonicContact OE1-CZ 3.55Å; E42-R47 IonicContact OE1-NE 2.71Å; E42-R47 PolarHBondContact OE1-NE 3.48Å; E42-R47 IonicContact OE1-NH2 2.75Å; T43-R47 WeakPolarHBondContact O-CG 3.44Å; T43-R47 PolarHBondContact O-N 3.11Å; D44-R47 PolarHBondContact O-N 2.77Å; D44-R47 IonicContact OD1-NH1 3.31Å; D44-R47 PolarHBondContact OD1-NH1 3.42Å; R47-L50 PolarHBondContact O-N 3.37Å; R47-R51 WeakPolarHBondContact O-CB 3.49Å; R47-R51 PolarHBondContact O-N 3.27Å
48	R	97.1	Very high	96.2	Very high	21 Å²	21	50.6 Å²	50.6	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-45.6	174.2	-178.4	-176.9	62.5	-156.7	-6.7	111.3	D44 G45 F46 R51 S52 Y107 V110 M255 N256	D44-R48 PolarHBondContact O-N 3.32Å; G45-R48 WeakPolarHBondContact O-CB 3.29Å; G45-R48 PolarHBondContact O-N 3.04Å; F46-R48 VanDerWaalsContact C-N 3.33Å; F46-R48 PolarHBondContact O-N 3.13Å; R48-R51 PolarHBondContact O-N 2.87Å; R48-S52 PolarHBondContact O-N 3.16Å; R48-S52 VanDerWaalsContact O-N 3.08Å; R48-Y107 PolarHBondContact NH2-O 3.43Å; R48-V110 HydrophobicContact CG-CG2 3.88Å; R48-M255 PolarHBondContact NH1-O 3.48Å; R48-N256 PolarHBondContact NH1-OD1 3.49Å
49	F	98.4	Very high	96.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-53.5	175.1	167.4	-96	0	0	0	111.6	V35 T37 G45 F46 R51 S52 A53 V60 I104 S106 V109 F111	V35-F49 HydrophobicContact CG1-CZ 4.29Å; T37-F49 HydrophobicContact CG2-CE1 3.9Å; T37-F49 HydrophobicContact CG2-CZ 4.3Å; G45-F49 PolarHBondContact O-N 3.45Å; F46-F49 HydrophobicContact CD2-CD1 4.45Å; F46-F49 HydrophobicContact CE2-CD1 4.41Å; F46-F49 WeakPolarHBondContact O-CB 3.49Å; F46-F49 PolarHBondContact O-N 3.35Å; F49-R51 VanDerWaalsContact C-N 3.31Å; F49-R51 PolarHBondContact O-N 3.41Å; F49-S52 PolarHBondContact O-N 2.99Å; F49-S52 VanDerWaalsContact O-N 3.14Å; F49-S52 PolarHBondContact O-OG 3.02Å; F49-A53 PolarHBondContact O-N 3.32Å; F49-V60 HydrophobicContact CE1-CG1 4.08Å; F49-I104 HydrophobicContact CE2-CG2 3.86Å; F49-I104 HydrophobicContact CZ-CG2 3.93Å; F49-S106 WeakPolarHBondContact CB-O 3.43Å; F49-V109 WeakPolarHBondContact CB-O 3.24Å; F49-V109 HydrophobicContact CD2-CB 3.97Å; F49-V109 HydrophobicContact CD2-CG1 3.85Å; F49-V109 HydrophobicContact CE2-CB 4.43Å; F49-V109 HydrophobicContact CE2-CG1 3.98Å; F49-F111 HydrophobicContact CD2-CD2 4.43Å; F49-F111 HydrophobicContact CD2-CE2 4.07Å; F49-F111 HydrophobicContact CE2-CD2 4.12Å; F49-F111 AromaticContact CE2-CE2 3.34Å; F49-F111 HydrophobicContact CE2-CE2 3.34Å; F49-F111 AromaticContact CE2-CZ 3.99Å; F49-F111 HydrophobicContact CE2-CZ 3.99Å; F49-F111 AromaticContact CZ-CE2 3.71Å; F49-F111 HydrophobicContact CZ-CE2 3.71Å; F49-F111 HydrophobicContact CZ-CZ 4.29Å
50	L	97.7	Very high	96.3	Very high	61 Å²	61	56.1 Å²	56.1	32%	0.319	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-37.9	179.2	-75.9	-174.3	0	0	0	112.7	F46 R47 A53 K54 V60	F46-L50 HydrophobicContact CD1-CD1 3.98Å; F46-L50 HydrophobicContact CD1-CG 4.38Å; F46-L50 HydrophobicContact CE1-CD1 3.29Å; F46-L50 HydrophobicContact CE1-CG 3.91Å; F46-L50 HydrophobicContact CE2-CD1 4.35Å; F46-L50 HydrophobicContact CE2-CD2 4.37Å; F46-L50 HydrophobicContact CE2-CG 4.13Å; F46-L50 HydrophobicContact CZ-CD1 3.5Å; F46-L50 HydrophobicContact CZ-CD2 4.07Å; F46-L50 HydrophobicContact CZ-CG 3.75Å; F46-L50 PolarHBondContact O-N 2.9Å; R47-L50 PolarHBondContact O-N 3.37Å; L50-A53 PolarHBondContact O-N 3.17Å; L50-K54 VanDerWaalsContact O-CB 3.29Å; L50-K54 WeakPolarHBondContact O-CB 3.45Å; L50-K54 PolarHBondContact O-N 2.86Å; L50-V60 HydrophobicContact CD2-CG1 4.29Å
51	R	96.1	Very high	96.5	Very high	83 Å²	83	59.1 Å²	59.1	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-49.8	174.4	-176.8	-169.9	-73	148.9	-3.6	110.8	R47 R48 F49 A53 K54 H55 E277	R47-R51 WeakPolarHBondContact O-CB 3.49Å; R47-R51 PolarHBondContact O-N 3.27Å; R48-R51 PolarHBondContact O-N 2.87Å; F49-R51 VanDerWaalsContact C-N 3.31Å; F49-R51 PolarHBondContact O-N 3.41Å; R51-A53 VanDerWaalsContact C-N 3.34Å; R51-A53 PolarHBondContact O-N 3.41Å; R51-K54 PolarHBondContact O-N 3.22Å; R51-H55 PolarHBondContact O-N 3.2Å; R51-E277 IonicContact CZ-OE2 2.72Å; R51-E277 IonicContact NE-OE1 3.17Å; R51-E277 IonicContact NE-OE2 3.93Å; R51-E277 PolarHBondContact NE-OE2 3.5Å; R51-E277 IonicContact NH2-OE2 3.56Å; R51-E277 PolarHBondContact NH2-OE2 2.76Å
52	S	97.6	Very high	96.8	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-37	178.5	73.5	0	0	0	0	112.6	R48 F49 H55 F56 F111	R48-S52 PolarHBondContact O-N 3.16Å; R48-S52 VanDerWaalsContact O-N 3.08Å; F49-S52 PolarHBondContact O-N 2.99Å; F49-S52 VanDerWaalsContact O-N 3.14Å; F49-S52 PolarHBondContact O-OG 3.02Å; S52-H55 PolarHBondContact O-N 3.19Å; S52-F56 WeakPolarHBondContact O-CD2 3.47Å; S52-F111 PolarHBondContact OG-N 2.95Å
53	A	98.1	Very high	97	Very high	1 Å²	1	49 Å²	49	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-46.1	176.1	0	0	0	0	0	111.5	F49 L50 R51 H55 F56 N57 Y58 V60 F111	F49-A53 PolarHBondContact O-N 3.32Å; L50-A53 PolarHBondContact O-N 3.17Å; R51-A53 VanDerWaalsContact C-N 3.34Å; R51-A53 PolarHBondContact O-N 3.41Å; A53-H55 PolarHBondContact O-N 3.05Å; A53-F56 PolarHBondContact O-N 3.43Å; A53-N57 PolarHBondContact O-N 3.42Å; A53-Y58 PolarHBondContact O-N 3.28Å; A53-V60 HydrophobicContact CB-CG2 3.83Å; A53-F111 HydrophobicContact CB-CD2 3.8Å; A53-F111 HydrophobicContact CB-CE2 3.78Å
54	K	96.9	Very high	97.1	Very high	167 Å²	167	47.8 Å²	47.8	73%	0.726	23%	0.231	S	C	*	.	H	α-helix	trans	-63.2	-39.9	177.6	-174.9	-179.4	179.4	-176.6	0	111.8	L50 R51 F56 N57	L50-K54 VanDerWaalsContact O-CB 3.29Å; L50-K54 WeakPolarHBondContact O-CB 3.45Å; L50-K54 PolarHBondContact O-N 2.86Å; R51-K54 PolarHBondContact O-N 3.22Å; K54-F56 PolarHBondContact O-N 3.06Å; K54-N57 PolarHBondContact O-N 2.98Å
55	H	95.8	Very high	97	Very high	76 Å²	76	54 Å²	54	35%	0.352	26%	0.26	S	S	.	.	H	α-helix	trans	-54.6	-37.4	177.1	176.8	81.3	0	0	0	112.4	R51 S52 A53 P263 N264	R51-H55 PolarHBondContact O-N 3.2Å; S52-H55 PolarHBondContact O-N 3.19Å; A53-H55 PolarHBondContact O-N 3.05Å; H55-P263 HydrophobicContact CB-CG 4.34Å; H55-N264 PolarHBondContact CE1-ND2 3.23Å; H55-N264 VanDerWaalsContact CE1-ND2 3.33Å; H55-N264 PolarHBondContact ND1-ND2 2.98Å; H55-N264 PolarHBondContact ND1-OD1 3.06Å
56	F	97.1	Very high	96.6	Very high	26 Å²	26	57.4 Å²	57.4	11%	0.114	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	9.3	179.2	-66.7	-63.2	0	0	0	114.7	S52 A53 K54 Y58 F111 S113 P115 P263	S52-F56 WeakPolarHBondContact O-CD2 3.47Å; A53-F56 PolarHBondContact O-N 3.43Å; K54-F56 PolarHBondContact O-N 3.06Å; F56-Y58 VanDerWaalsContact C-N 3.34Å; F56-Y58 HydrophobicContact CB-CD2 3.69Å; F56-Y58 HydrophobicContact CB-CE2 3.6Å; F56-Y58 HydrophobicContact CD2-CE2 4.29Å; F56-Y58 HydrophobicContact CG-CE2 4.27Å; F56-Y58 PolarHBondContact O-N 3.18Å; F56-F111 HydrophobicContact CD2-CB 3.91Å; F56-F111 HydrophobicContact CE2-CB 4.22Å; F56-F111 WeakPolarHBondContact CE2-O 3.31Å; F56-S113 VanDerWaalsContact CZ-CA 3.48Å; F56-P115 VanDerWaalsContact O-CD 3.25Å; F56-P115 WeakPolarHBondContact O-CD 3.29Å; F56-P263 HydrophobicContact CE2-CB 3.54Å; F56-P263 HydrophobicContact CE2-CG 3.73Å; F56-P263 HydrophobicContact CZ-CB 3.5Å; F56-P263 HydrophobicContact CZ-CG 4.08Å
57	N	97.7	Very high	96.4	Very high	138 Å²	138	60.6 Å²	60.6	74%	0.738	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	38.3	-177.7	-55.4	-47.4	0	0	0	114.4	A53 K54	A53-N57 PolarHBondContact O-N 3.42Å; K54-N57 PolarHBondContact O-N 2.98Å
58	Y	98.2	Very high	96.2	Very high	17 Å²	17	63.9 Å²	63.9	7%	0.067	33%	0.327	C	S	.	.			trans	-71.3	137.5	169.5	-76.6	-84.1	0	0	0	111.3	L33 V35 A53 F56 F111 S113 G114 P115 L118	L33-Y58 HydrophobicContact CD2-CD1 3.88Å; L33-Y58 HydrophobicContact CD2-CE1 3.67Å; V35-Y58 HydrophobicContact CG2-CD1 3.62Å; V35-Y58 HydrophobicContact CG2-CE1 4.46Å; V35-Y58 HydrophobicContact CG2-CG 4.21Å; A53-Y58 PolarHBondContact O-N 3.28Å; F56-Y58 VanDerWaalsContact C-N 3.34Å; F56-Y58 HydrophobicContact CB-CD2 3.69Å; F56-Y58 HydrophobicContact CB-CE2 3.6Å; F56-Y58 HydrophobicContact CD2-CE2 4.29Å; F56-Y58 HydrophobicContact CG-CE2 4.27Å; F56-Y58 PolarHBondContact O-N 3.18Å; Y58-F111 HydrophobicContact CD1-CE1 4.32Å; Y58-F111 HydrophobicContact CD1-CZ 4.5Å; Y58-F111 HydrophobicContact CD2-CD1 4.05Å; Y58-F111 HydrophobicContact CD2-CD2 4.27Å; Y58-F111 HydrophobicContact CD2-CE1 4.24Å; Y58-F111 HydrophobicContact CD2-CE2 4.44Å; Y58-F111 HydrophobicContact CD2-CG 4.07Å; Y58-F111 HydrophobicContact CD2-CZ 4.44Å; Y58-F111 HydrophobicContact CE1-CD1 4.32Å; Y58-F111 AromaticContact CE1-CE1 3.98Å; Y58-F111 HydrophobicContact CE1-CE1 3.98Å; Y58-F111 HydrophobicContact CE2-CB 4.14Å; Y58-F111 AromaticContact CE2-CD1 3.45Å; Y58-F111 HydrophobicContact CE2-CD1 3.45Å; Y58-F111 VanDerWaalsContact CE2-CD1 3.45Å; Y58-F111 HydrophobicContact CE2-CD2 4.41Å; Y58-F111 AromaticContact CE2-CE1 3.88Å; Y58-F111 HydrophobicContact CE2-CE1 3.88Å; Y58-F111 AromaticContact CE2-CG 3.75Å; Y58-F111 HydrophobicContact CE2-CG 3.75Å; Y58-F111 HydrophobicContact CG-CE1 4.45Å; Y58-F111 HydrophobicContact CG-CZ 4.43Å; Y58-F111 AromaticContact CZ-CD1 3.61Å; Y58-F111 AromaticContact CZ-CE1 3.74Å; Y58-S113 WeakPolarHBondContact CE2-O 3.24Å; Y58-S113 PolarHBondContact OH-O 2.95Å; Y58-G114 PolarHBondContact OH-O 3.37Å; Y58-P115 HydrophobicContact CD1-CG 3.75Å; Y58-P115 HydrophobicContact CD2-CG 4.4Å; Y58-P115 HydrophobicContact CE1-CB 4.16Å; Y58-P115 HydrophobicContact CE1-CG 3.68Å; Y58-P115 HydrophobicContact CE2-CG 4.36Å; Y58-P115 HydrophobicContact CG-CG 4.12Å; Y58-L118 HydrophobicContact CE1-CD2 4Å
59	T	97.8	Very high	95.9	Very high	90 Å²	90	65.1 Å²	65.1	55%	0.552	33%	0.332	S	S	*	.			trans	-84.7	113	168	-55.2	0	0	0	0	109.4	L34 V35	L34-T59 HydrophobicContact CD1-CG2 3.9Å; V35-T59 WeakPolarHBondContact CB-O 3.43Å; V35-T59 PolarHBondContact N-O 2.83Å
60	V	98.2	Very high	95.5	Very high	38 Å²	38	68 Å²	68	23%	0.23	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.1	-177.2	-175.6	0	0	0	0	110.6	V35 T37 F49 L50 A53 V62	V35-V60 HydrophobicContact CB-CB 4.5Å; V35-V60 HydrophobicContact CB-CG2 4.1Å; V35-V60 HydrophobicContact CG1-CG2 4.38Å; V35-V60 CarbonylContact O-C 3.54Å; V35-V60 WeakPolarHBondContact O-CA 3.44Å; T37-V60 HydrophobicContact CG2-CG1 3.93Å; F49-V60 HydrophobicContact CE1-CG1 4.08Å; L50-V60 HydrophobicContact CD2-CG1 4.29Å; A53-V60 HydrophobicContact CB-CG2 3.83Å; V60-V62 HydrophobicContact CG1-CG2 4.28Å
61	K	97.6	Very high	94.8	Very high	78 Å²	78	65.1 Å²	65.1	34%	0.339	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.3	166.6	176.2	-179.6	-177.1	-179.3	0	109.1	L34 V35 L36 T37 L63	L34-K61 HydrophobicContact CD1-CB 4.09Å; V35-K61 PolarHBondContact O-N 3.06Å; L36-K61 HydrophobicContact CD2-CB 3.71Å; L36-K61 HydrophobicContact CD2-CD 3.98Å; L36-K61 HydrophobicContact CD2-CG 4.08Å; T37-K61 PolarHBondContact N-O 2.83Å; K61-L63 HydrophobicContact CD-CD2 4.37Å; K61-L63 HydrophobicContact CG-CD2 4.18Å
62	V	97.9	Very high	94	Very high	40 Å²	40	62.7 Å²	62.7	24%	0.242	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.7	-179.4	-173.4	0	0	0	0	109.1	T37 A39 F46 V60 Q65	T37-V62 HydrophobicContact CG2-CG2 4.32Å; T37-V62 CarbonylContact O-C 3.58Å; A39-V62 HydrophobicContact CB-CG1 3.78Å; F46-V62 HydrophobicContact CE2-CG1 4.32Å; F46-V62 HydrophobicContact CE2-CG2 4.18Å; F46-V62 HydrophobicContact CZ-CG1 4.13Å; F46-V62 HydrophobicContact CZ-CG2 3.73Å; V60-V62 HydrophobicContact CG1-CG2 4.28Å; V62-Q65 HydrophobicContact CG1-CB 4.47Å
63	L	97.4	Very high	92.6	Very high	14 Å²	14	66.7 Å²	66.7	7%	0.073	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.5	179.3	-51.4	179.7	0	0	0	110.2	T37 V38 A39 K61 Q65 L86 A90	T37-L63 PolarHBondContact O-N 3.03Å; V38-L63 WeakPolarHBondContact CA-O 3.44Å; V38-L63 HydrophobicContact CG2-CB 4.15Å; A39-L63 PolarHBondContact N-O 3.5Å; A39-L63 VanDerWaalsContact N-O 3.13Å; K61-L63 HydrophobicContact CD-CD2 4.37Å; K61-L63 HydrophobicContact CG-CD2 4.18Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 2.9Å; L63-L86 HydrophobicContact CB-CB 4.19Å; L63-L86 HydrophobicContact CD1-CB 4.39Å; L63-A90 HydrophobicContact CD1-CB 3.88Å; L63-A90 HydrophobicContact CD2-CB 3.76Å
64	G	94.3	Very high	90.7	Very high	9 Å²	9	72.7 Å²	72.7	9%	0.093	38%	0.382	C	S	.	.	S	Bend	trans	75.5	15.3	175.7	0	0	0	0	0	115.3	A39 T40 G66 E67	A39-G64 CarbonylContact O-C 3.51Å; T40-G64 WeakPolarHBondContact CA-O 3.11Å; G64-G66 PolarHBondContact O-N 3.15Å; G64-E67 WeakPolarHBondContact O-CB 3.41Å; G64-E67 PolarHBondContact O-N 3.17Å
65	Q	92.6	Very high	88.5	Confident	149 Å²	149	72.2 Å²	72.2	70%	0.696	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	123.4	178.2	-172.4	174.9	8.1	0	0	110.7	A39 V62 L63 E67	A39-Q65 WeakPolarHBondContact O-CA 3.11Å; A39-Q65 PolarHBondContact O-N 3.27Å; V62-Q65 HydrophobicContact CG1-CB 4.47Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 2.9Å; Q65-E67 PolarHBondContact O-N 2.84Å
66	G	88	Confident	86.6	Confident	74 Å²	74	71.8 Å²	71.8	76%	0.763	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-7.5	-176.6	0	0	0	0	0	114.8	T40 G64	T40-G66 PolarHBondContact O-N 2.78Å; G64-G66 PolarHBondContact O-N 3.15Å
67	E	93.4	Very high	84.7	Confident	81 Å²	81	73.4 Å²	73.4	38%	0.379	41%	0.408	S	S	.	.	S	Bend	trans	-73.9	147.6	169.9	-67.5	-173.8	-147.6	0	0	110.8	T40 G64 Q65 R85	T40-E67 WeakPolarHBondContact CB-O 3.23Å; T40-E67 WeakPolarHBondContact CG2-O 3.39Å; G64-E67 WeakPolarHBondContact O-CB 3.41Å; G64-E67 PolarHBondContact O-N 3.17Å; Q65-E67 PolarHBondContact O-N 2.84Å; E67-R85 IonicContact OE2-NH1 2.87Å; E67-R85 IonicContact OE2-NH2 2.72Å
68	K	92	Very high	83.6	Confident	176 Å²	176	70.8 Å²	70.8	77%	0.765	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-68.7	133.6	168.6	-174.6	179.6	176.1	-175.7	0	109	S70 Q82	K68-S70 PolarHBondContact O-N 3.03Å; K68-Q82 PolarHBondContact O-NE2 3.36Å; K68-Q82 VanDerWaalsContact O-NE2 3.07Å
69	W	91.5	Very high	83.1	Confident	47 Å²	47	70.5 Å²	70.5	18%	0.178	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-70.1	121.1	170.2	179.8	-104.9	0	0	0	110.1	V38 T40 G71 G72 Y74 Q82 K83	V38-W69 HydrophobicContact CG1-CZ3 4.38Å; T40-W69 HydrophobicContact CG2-CB 4.1Å; T40-W69 HydrophobicContact CG2-CE3 4.13Å; W69-G71 VanDerWaalsContact CE2-CA 3.46Å; W69-G71 VanDerWaalsContact CZ2-CA 3.47Å; W69-G72 PolarHBondContact NE1-O 3.47Å; W69-Y74 AromaticContact CD1-CE2 3.76Å; W69-Y74 AromaticContact CD2-CE2 3.99Å; W69-Y74 HydrophobicContact CD2-CE2 3.99Å; W69-Y74 AromaticContact CD2-CZ 3.68Å; W69-Y74 AromaticContact CE2-CE1 3.85Å; W69-Y74 AromaticContact CE2-CE2 3.54Å; W69-Y74 AromaticContact CE2-CZ 3.24Å; W69-Y74 HydrophobicContact CG-CE2 4.1Å; W69-Y74 AromaticContact CH2-CE1 3.8Å; W69-Y74 HydrophobicContact CH2-CE1 3.8Å; W69-Y74 AromaticContact CH2-CZ 3.78Å; W69-Y74 WeakPolarHBondContact CH2-OH 3.4Å; W69-Y74 HydrophobicContact CZ2-CD1 4.2Å; W69-Y74 AromaticContact CZ2-CE1 3.41Å; W69-Y74 HydrophobicContact CZ2-CE1 3.41Å; W69-Y74 VanDerWaalsContact CZ2-CE1 3.41Å; W69-Y74 HydrophobicContact CZ2-CE2 4.01Å; W69-Y74 AromaticContact CZ2-CZ 3.31Å; W69-Y74 WeakPolarHBondContact CZ2-OH 3.25Å; W69-Y74 WeakPolarHBondContact CZ3-OH 3.36Å; W69-Y74 AromaticContact NE1-CD2 3.97Å; W69-Y74 AromaticContact NE1-CE2 3.4Å; W69-Y74 AromaticContact NE1-CZ 3.65Å; W69-Q82 VanDerWaalsContact CE3-OE1 3.28Å; W69-Q82 HydrophobicContact CZ3-CB 4.24Å; W69-K83 HydrophobicContact CH2-CD 4.44Å; W69-K83 HydrophobicContact CH2-CG 3.95Å; W69-K83 HydrophobicContact CZ3-CG 4.03Å
70	S	89.6	Confident	82.7	Confident	60 Å²	60	66.5 Å²	66.5	42%	0.42	38%	0.377	S	S	.	.			trans	-120.4	9.9	177.2	-58.7	0	0	0	0	111.5	K68 G72	K68-S70 PolarHBondContact O-N 3.03Å; S70-G72 PolarHBondContact O-N 3.49Å; S70-G72 VanDerWaalsContact O-N 3.13Å
71	G	82.9	Confident	82.6	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.01	37%	0.366	C	S	.	.	S	Bend	trans	-79.5	18.3	-173.6	0	0	0	0	0	116	W69 G79 G80 D180	W69-G71 VanDerWaalsContact CE2-CA 3.46Å; W69-G71 VanDerWaalsContact CZ2-CA 3.47Å; G71-G79 CarbonylContact O-C 3.57Å; G71-G79 WeakPolarHBondContact O-CA 3.46Å; G71-G80 PolarHBondContact O-N 2.8Å; G71-D180 VanDerWaalsContact CA-O 3.26Å; G71-D180 WeakPolarHBondContact CA-O 3.38Å
72	G	79.8	Confident	82.5	Confident	31 Å²	31	61 Å²	61	32%	0.32	35%	0.35	S	S	.	.			trans	80.3	-176.8	-172.4	0	0	0	0	0	113.2	W69 S70	W69-G72 PolarHBondContact NE1-O 3.47Å; S70-G72 PolarHBondContact O-N 3.49Å; S70-G72 VanDerWaalsContact O-N 3.13Å
73	D	67.6	Low	82.4	Confident	87 Å²	87	59.9 Å²	59.9	47%	0.465	34%	0.342	S	S	.	.			trans	-82	132.5	176.2	171	24.6	0	0	0	110.1	M75 S76	D73-M75 PolarHBondContact O-N 3.15Å; D73-M75 PolarHBondContact OD1-N 3.19Å; D73-S76 WeakPolarHBondContact CB-OG 3.44Å; D73-S76 PolarHBondContact O-N 3.49Å; D73-S76 PolarHBondContact OD2-N 3.33Å; D73-S76 PolarHBondContact OD2-OG 3.49Å
74	Y	57.8	Low	82.4	Confident	128 Å²	128	59.2 Å²	59.2	50%	0.502	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.8	177.9	-68.7	-80.5	0	0	0	112.6	W69	W69-Y74 AromaticContact CD1-CE2 3.76Å; W69-Y74 AromaticContact CD2-CE2 3.99Å; W69-Y74 HydrophobicContact CD2-CE2 3.99Å; W69-Y74 AromaticContact CD2-CZ 3.68Å; W69-Y74 AromaticContact CE2-CE1 3.85Å; W69-Y74 AromaticContact CE2-CE2 3.54Å; W69-Y74 AromaticContact CE2-CZ 3.24Å; W69-Y74 HydrophobicContact CG-CE2 4.1Å; W69-Y74 AromaticContact CH2-CE1 3.8Å; W69-Y74 HydrophobicContact CH2-CE1 3.8Å; W69-Y74 AromaticContact CH2-CZ 3.78Å; W69-Y74 WeakPolarHBondContact CH2-OH 3.4Å; W69-Y74 HydrophobicContact CZ2-CD1 4.2Å; W69-Y74 AromaticContact CZ2-CE1 3.41Å; W69-Y74 HydrophobicContact CZ2-CE1 3.41Å; W69-Y74 VanDerWaalsContact CZ2-CE1 3.41Å; W69-Y74 HydrophobicContact CZ2-CE2 4.01Å; W69-Y74 AromaticContact CZ2-CZ 3.31Å; W69-Y74 WeakPolarHBondContact CZ2-OH 3.25Å; W69-Y74 WeakPolarHBondContact CZ3-OH 3.36Å; W69-Y74 AromaticContact NE1-CD2 3.97Å; W69-Y74 AromaticContact NE1-CE2 3.4Å; W69-Y74 AromaticContact NE1-CZ 3.65Å
75	M	51.3	Low	82.5	Confident	157 Å²	157	62.9 Å²	62.9	77%	0.773	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-8.4	-178.2	-60.4	-62.2	-69.5	0	0	113.8	D73	D73-M75 PolarHBondContact O-N 3.15Å; D73-M75 PolarHBondContact OD1-N 3.19Å
76	S	55.7	Low	82.7	Confident	67 Å²	67	56.5 Å²	56.5	47%	0.469	32%	0.32	S	S	.	.	S	Bend	trans	-137.5	133.8	-179.3	54.2	0	0	0	0	112.9	D73	D73-S76 WeakPolarHBondContact CB-OG 3.44Å; D73-S76 PolarHBondContact O-N 3.49Å; D73-S76 PolarHBondContact OD2-N 3.33Å; D73-S76 PolarHBondContact OD2-OG 3.49Å
77	A	58.5	Low	83.2	Confident	59 Å²	59	53 Å²	53	49%	0.488	28%	0.284	S	S	.	.	S	Bend	trans	-75.1	149.7	-179.7	0	0	0	0	0	111.9	W138	A77-W138 HydrophobicContact CB-CH2 4.27Å; A77-W138 HydrophobicContact CB-CZ2 3.36Å
78	P	74.3	Confident	83.4	Confident	83 Å²	83	52.3 Å²	52.3	54%	0.539	28%	0.28	S	S	.	.	S	Bend	cis	-96	154.6	-11.4	31.8	-25.1	0	0	0	113.9
79	G	86.5	Confident	83.5	Confident	12 Å²	12	46.5 Å²	46.5	12%	0.124	26%	0.264	C	S	.	.			trans	-165.7	175.6	178.9	0	0	0	0	0	113.9	G71 S181 D182 S183 D184	G71-G79 CarbonylContact O-C 3.57Å; G71-G79 WeakPolarHBondContact O-CA 3.46Å; G79-S181 WeakPolarHBondContact CA-O 3.5Å; G79-D182 CarbonylContact C-O 3.54Å; G79-D182 VanDerWaalsContact C-O 3.29Å; G79-S183 WeakPolarHBondContact O-CA 3.35Å; G79-D184 PolarHBondContact O-N 2.78Å
80	G	90.6	Very high	83.8	Confident	5 Å²	5	44.5 Å²	44.5	5%	0.052	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	108.6	-8.1	172.3	0	0	0	0	0	116	G71 Q82 K83 D182	G71-G80 PolarHBondContact O-N 2.8Å; G80-Q82 PolarHBondContact O-N 3Å; G80-Q82 VanDerWaalsContact O-N 3.14Å; G80-K83 WeakPolarHBondContact O-CB 3.39Å; G80-K83 WeakPolarHBondContact O-CG 3.45Å; G80-K83 PolarHBondContact O-N 3.17Å; G80-D182 PolarHBondContact N-O 3.26Å
81	G	94.7	Very high	84	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.7	-30.4	-175.9	0	0	0	0	0	115	K83 V84 R85 W176 D180 D182	G81-K83 PolarHBondContact O-N 3.04Å; G81-V84 WeakPolarHBondContact O-CB 3.36Å; G81-V84 PolarHBondContact O-N 2.6Å; G81-R85 PolarHBondContact O-N 2.87Å; G81-W176 VanDerWaalsContact CA-CZ2 3.44Å; G81-D180 CarbonylContact C-O 3.54Å; G81-D180 VanDerWaalsContact CA-O 3.26Å; G81-D180 WeakPolarHBondContact CA-O 3.47Å; G81-D180 PolarHBondContact N-O 2.86Å; G81-D182 VanDerWaalsContact CA-O 3.24Å; G81-D182 WeakPolarHBondContact CA-O 3.27Å; G81-D182 PolarHBondContact N-O 2.86Å
82	Q	95.5	Very high	84.6	Confident	2 Å²	2	45 Å²	45	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-53	-36.9	171.3	-174.5	171.4	14.6	0	0	111.6	K68 W69 G80 V84 R85 L86 D180	K68-Q82 PolarHBondContact O-NE2 3.36Å; K68-Q82 VanDerWaalsContact O-NE2 3.07Å; W69-Q82 VanDerWaalsContact CE3-OE1 3.28Å; W69-Q82 HydrophobicContact CZ3-CB 4.24Å; G80-Q82 PolarHBondContact O-N 3Å; G80-Q82 VanDerWaalsContact O-N 3.14Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; Q82-V84 PolarHBondContact O-N 3.43Å; Q82-R85 PolarHBondContact O-N 2.89Å; Q82-L86 HydrophobicContact CG-CD1 4.02Å; Q82-L86 HydrophobicContact CG-CG 4.37Å; Q82-L86 WeakPolarHBondContact O-CB 3.36Å; Q82-L86 VanDerWaalsContact O-CG 3.26Å; Q82-L86 WeakPolarHBondContact O-CG 3.49Å; Q82-L86 PolarHBondContact O-N 3.31Å; Q82-D180 HydrophobicContact CB-CB 3.94Å; Q82-D180 PolarHBondContact N-O 3.01Å
83	K	96.2	Very high	85.1	Confident	15 Å²	15	50.5 Å²	50.5	7%	0.065	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-43	176.2	-64.3	-169.1	-77.6	167.2	0	111.6	V38 W69 G80 G81 L86 L87 F103 D105 D184	V38-K83 HydrophobicContact CB-CD 4.4Å; V38-K83 HydrophobicContact CB-CG 4Å; V38-K83 HydrophobicContact CG1-CG 4.11Å; V38-K83 HydrophobicContact CG2-CB 4.03Å; V38-K83 HydrophobicContact CG2-CG 3.94Å; W69-K83 HydrophobicContact CH2-CD 4.44Å; W69-K83 HydrophobicContact CH2-CG 3.95Å; W69-K83 HydrophobicContact CZ3-CG 4.03Å; G80-K83 WeakPolarHBondContact O-CB 3.39Å; G80-K83 WeakPolarHBondContact O-CG 3.45Å; G80-K83 PolarHBondContact O-N 3.17Å; G81-K83 PolarHBondContact O-N 3.04Å; K83-L86 PolarHBondContact O-N 3.48Å; K83-L87 VanDerWaalsContact O-CB 3.28Å; K83-L87 WeakPolarHBondContact O-CB 3.35Å; K83-L87 PolarHBondContact O-N 2.78Å; K83-F103 HydrophobicContact CB-CZ 4.1Å; K83-D105 WeakPolarHBondContact CD-OD1 3.45Å; K83-D105 IonicContact NZ-OD1 2.96Å; K83-D105 PolarHBondContact NZ-OD1 3.27Å; K83-D105 IonicContact NZ-OD2 3.04Å; K83-D105 PolarHBondContact NZ-OD2 3.47Å; K83-D105 VanDerWaalsContact NZ-OD2 3.1Å; K83-D184 WeakPolarHBondContact CE-OD2 3.5Å; K83-D184 IonicContact NZ-OD2 3.57Å; K83-D184 PolarHBondContact NZ-OD2 3.19Å
84	V	97	Very high	86.3	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-41.7	179.9	-170.5	0	0	0	0	110.8	G81 Q82 L87 K88 V173 W176 D184 F187 F188	G81-V84 WeakPolarHBondContact O-CB 3.36Å; G81-V84 PolarHBondContact O-N 2.6Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; Q82-V84 PolarHBondContact O-N 3.43Å; V84-L87 PolarHBondContact O-N 2.72Å; V84-K88 VanDerWaalsContact O-CB 3.3Å; V84-K88 WeakPolarHBondContact O-CB 3.43Å; V84-K88 PolarHBondContact O-N 3.32Å; V84-V173 HydrophobicContact CG1-CG1 4.41Å; V84-W176 HydrophobicContact CB-CD2 3.79Å; V84-W176 HydrophobicContact CB-CE3 3.97Å; V84-W176 HydrophobicContact CB-CG 4.2Å; V84-W176 HydrophobicContact CB-CH2 4.49Å; V84-W176 HydrophobicContact CB-CZ2 4.36Å; V84-W176 HydrophobicContact CB-CZ3 4.3Å; V84-W176 HydrophobicContact CG1-CB 3.86Å; V84-W176 HydrophobicContact CG1-CD2 3.54Å; V84-W176 HydrophobicContact CG1-CE3 3.65Å; V84-W176 HydrophobicContact CG1-CG 3.63Å; V84-W176 HydrophobicContact CG1-CZ3 4.4Å; V84-W176 HydrophobicContact CG2-CE3 4.3Å; V84-W176 HydrophobicContact CG2-CH2 4.48Å; V84-W176 HydrophobicContact CG2-CZ3 4.24Å; V84-D184 HydrophobicContact CG2-CB 3.52Å; V84-F187 HydrophobicContact CG1-CD1 4.03Å; V84-F187 HydrophobicContact CG1-CE1 3.83Å; V84-F187 HydrophobicContact CG2-CD1 4.47Å; V84-F188 HydrophobicContact CG1-CZ 4.34Å; V84-F188 HydrophobicContact CG2-CE2 3.9Å; V84-F188 HydrophobicContact CG2-CZ 4.15Å
85	R	97.1	Very high	87.6	Confident	86 Å²	86	50.7 Å²	50.7	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-49.1	174.1	178	179.4	59.7	77.7	-9.8	111.6	E67 G81 Q82 K88 A89 D180	E67-R85 IonicContact OE2-NH1 2.87Å; E67-R85 IonicContact OE2-NH2 2.72Å; G81-R85 PolarHBondContact O-N 2.87Å; Q82-R85 PolarHBondContact O-N 2.89Å; R85-K88 PolarHBondContact O-N 3.41Å; R85-A89 PolarHBondContact O-N 2.77Å; R85-D180 WeakPolarHBondContact CD-OD1 3.37Å; R85-D180 IonicContact CZ-OD1 2.68Å; R85-D180 IonicContact CZ-OD2 3.32Å; R85-D180 IonicContact NE-OD1 2.83Å; R85-D180 PolarHBondContact NE-OD1 3.41Å; R85-D180 IonicContact NE-OD2 3.52Å; R85-D180 PolarHBondContact NE-OD2 2.98Å; R85-D180 IonicContact NH2-OD1 2.63Å; R85-D180 IonicContact NH2-OD2 3.14Å; R85-D180 PolarHBondContact NH2-OD2 2.89Å
86	L	97.2	Very high	89.1	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-43	179.2	-71.5	172.5	0	0	0	111.6	V38 L63 Q82 K83 A89 A90	V38-L86 HydrophobicContact CG1-CD1 3.87Å; V38-L86 HydrophobicContact CG2-CD1 4.31Å; L63-L86 HydrophobicContact CB-CB 4.19Å; L63-L86 HydrophobicContact CD1-CB 4.39Å; Q82-L86 HydrophobicContact CG-CD1 4.02Å; Q82-L86 HydrophobicContact CG-CG 4.37Å; Q82-L86 WeakPolarHBondContact O-CB 3.36Å; Q82-L86 VanDerWaalsContact O-CG 3.26Å; Q82-L86 WeakPolarHBondContact O-CG 3.49Å; Q82-L86 PolarHBondContact O-N 3.31Å; K83-L86 PolarHBondContact O-N 3.48Å; L86-A89 PolarHBondContact O-N 2.6Å; L86-A90 WeakPolarHBondContact O-CB 3.22Å; L86-A90 PolarHBondContact O-N 2.71Å
87	L	97.6	Very high	90.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-47.9	174.8	175.4	60.5	0	0	0	111.4	L36 K83 V84 A89 A90 V91 F103 F162 V173	L36-L87 HydrophobicContact CD1-CD1 3.61Å; K83-L87 VanDerWaalsContact O-CB 3.28Å; K83-L87 WeakPolarHBondContact O-CB 3.35Å; K83-L87 PolarHBondContact O-N 2.78Å; V84-L87 PolarHBondContact O-N 2.72Å; L87-A89 VanDerWaalsContact C-N 3.33Å; L87-A89 PolarHBondContact O-N 2.94Å; L87-A90 PolarHBondContact O-N 3.03Å; L87-A90 VanDerWaalsContact O-N 3.14Å; L87-V91 HydrophobicContact CD1-CG1 3.72Å; L87-V91 HydrophobicContact CG-CG1 4.45Å; L87-V91 WeakPolarHBondContact O-CG2 3.29Å; L87-V91 PolarHBondContact O-N 2.8Å; L87-F103 HydrophobicContact CB-CD2 4.35Å; L87-F103 HydrophobicContact CB-CE2 4Å; L87-F103 HydrophobicContact CD1-CD2 3.68Å; L87-F103 HydrophobicContact CD1-CE2 4.15Å; L87-F103 HydrophobicContact CD1-CG 4.45Å; L87-F103 HydrophobicContact CD2-CD2 3.86Å; L87-F103 HydrophobicContact CD2-CE2 4.17Å; L87-F103 HydrophobicContact CD2-CG 4.04Å; L87-F103 HydrophobicContact CG-CD2 4.18Å; L87-F103 HydrophobicContact CG-CE2 4.33Å; L87-F162 HydrophobicContact CD2-CE2 4.26Å; L87-F162 HydrophobicContact CD2-CZ 3.57Å; L87-V173 HydrophobicContact CD2-CG1 4Å; L87-V173 HydrophobicContact CG-CG1 4.45Å
88	K	97.3	Very high	91.6	Very high	68 Å²	68	47.7 Å²	47.7	30%	0.296	26%	0.257	S	S	.	.	H	α-helix	trans	-55.8	-46.5	177.7	173.9	176.4	172.1	167.1	0	111.6	V84 R85 A92 V173 A174 W176	V84-K88 VanDerWaalsContact O-CB 3.3Å; V84-K88 WeakPolarHBondContact O-CB 3.43Å; V84-K88 PolarHBondContact O-N 3.32Å; R85-K88 PolarHBondContact O-N 3.41Å; K88-A92 WeakPolarHBondContact O-CB 3.25Å; K88-A92 PolarHBondContact O-N 3.13Å; K88-V173 HydrophobicContact CB-CB 4.3Å; K88-V173 HydrophobicContact CB-CG2 3.89Å; K88-V173 WeakPolarHBondContact CD-O 3.5Å; K88-V173 HydrophobicContact CG-CG2 4.28Å; K88-A174 WeakPolarHBondContact CE-O 3.1Å; K88-A174 PolarHBondContact NZ-O 3.4Å; K88-W176 HydrophobicContact CD-CB 4.19Å; K88-W176 PolarHBondContact NZ-O 3.02Å
89	A	96.1	Very high	92.5	Very high	53 Å²	53	45.7 Å²	45.7	44%	0.438	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-46.4	175.8	0	0	0	0	0	111.4	R85 L86 L87 V91 A92 E93	R85-A89 PolarHBondContact O-N 2.77Å; L86-A89 PolarHBondContact O-N 2.6Å; L87-A89 VanDerWaalsContact C-N 3.33Å; L87-A89 PolarHBondContact O-N 2.94Å; A89-V91 PolarHBondContact O-N 2.87Å; A89-A92 PolarHBondContact O-N 3.01Å; A89-E93 PolarHBondContact O-N 2.94Å
90	A	96.1	Very high	93	Very high	6 Å²	6	45.1 Å²	45.1	5%	0.05	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-42.7	-177.9	0	0	0	0	0	113.4	L63 L86 L87 E93 M94	L63-A90 HydrophobicContact CD1-CB 3.88Å; L63-A90 HydrophobicContact CD2-CB 3.76Å; L86-A90 WeakPolarHBondContact O-CB 3.22Å; L86-A90 PolarHBondContact O-N 2.71Å; L87-A90 PolarHBondContact O-N 3.03Å; L87-A90 VanDerWaalsContact O-N 3.14Å; A90-E93 PolarHBondContact O-N 3.4Å; A90-M94 WeakPolarHBondContact O-CG 3.32Å
91	V	95.6	Very high	93.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-78.4	-19	-179.2	-59.1	0	0	0	0	113.4	L36 L87 A89 E93 M94 I169 R170 V173	L36-V91 HydrophobicContact CD1-CG1 4.23Å; L87-V91 HydrophobicContact CD1-CG1 3.72Å; L87-V91 HydrophobicContact CG-CG1 4.45Å; L87-V91 WeakPolarHBondContact O-CG2 3.29Å; L87-V91 PolarHBondContact O-N 2.8Å; A89-V91 PolarHBondContact O-N 2.87Å; V91-E93 VanDerWaalsContact C-N 3.32Å; V91-M94 HydrophobicContact CG1-SD 4.29Å; V91-I169 HydrophobicContact CG1-CG2 4.1Å; V91-R170 HydrophobicContact CG2-CB 4.29Å; V91-R170 HydrophobicContact CG2-CG 4.25Å; V91-R170 PolarHBondContact O-NE 2.64Å; V91-R170 VanDerWaalsContact O-NE 3.15Å; V91-V173 HydrophobicContact CG2-CG2 3.81Å
92	A	93.8	Very high	93.5	Very high	70 Å²	70	44.9 Å²	44.9	58%	0.579	23%	0.232	S	C	*	.	H	α-helix	trans	-69.7	-30.9	173	0	0	0	0	0	112.1	K88 A89	K88-A92 WeakPolarHBondContact O-CB 3.25Å; K88-A92 PolarHBondContact O-N 3.13Å; A89-A92 PolarHBondContact O-N 3.01Å
93	E	91.8	Very high	93.7	Very high	146 Å²	146	44.9 Å²	44.9	68%	0.682	23%	0.232	S	C	*	.	S	Bend	trans	-82.9	-16.6	178.8	-65.2	179.7	170	0	0	113.7	A89 A90 V91 K95	A89-E93 PolarHBondContact O-N 2.94Å; A90-E93 PolarHBondContact O-N 3.4Å; V91-E93 VanDerWaalsContact C-N 3.32Å; E93-K95 PolarHBondContact O-N 3.25Å
94	M	91.8	Very high	93.8	Very high	21 Å²	21	44.3 Å²	44.3	10%	0.103	23%	0.23	C	C	.	.			trans	-76.9	123.8	-177.8	-68.2	173.9	-178.7	0	0	111.2	L34 L36 A90 V91 I101 I166 R170	L34-M94 HydrophobicContact CD2-CE 3.58Å; L36-M94 HydrophobicContact CD1-CE 3.78Å; L36-M94 HydrophobicContact CD2-CE 3.87Å; L36-M94 HydrophobicContact CG-CE 4.3Å; A90-M94 WeakPolarHBondContact O-CG 3.32Å; V91-M94 HydrophobicContact CG1-SD 4.29Å; M94-I101 HydrophobicContact CE-CD1 4.22Å; M94-I101 HydrophobicContact SD-CD1 3.87Å; M94-I101 HydrophobicContact SD-CG1 4.46Å; M94-I166 HydrophobicContact CB-CD1 3.88Å; M94-I166 HydrophobicContact CG-CD1 4.32Å; M94-I166 HydrophobicContact SD-CD1 3.67Å; M94-I166 HydrophobicContact SD-CG1 4.41Å; M94-R170 PolarHBondContact O-NH2 3.13Å
95	K	85.3	Confident	93.8	Very high	199 Å²	199	45.4 Å²	45.4	87%	0.865	24%	0.236	S	C	*	.			trans	-95	-16.5	-178.4	-60.6	-177.2	-177.9	178.9	0	114.4	E93	E93-K95 PolarHBondContact O-N 3.25Å
96	S	83.1	Confident	93.8	Very high	49 Å²	49	41.5 Å²	41.5	34%	0.343	22%	0.221	S	C	.	.			trans	-75.1	125.3	178.9	-137.4	0	0	0	0	109.4	D98 I166	S96-D98 PolarHBondContact OG-OD1 3.13Å; S96-I166 WeakPolarHBondContact O-CD1 3.37Å
97	E	81.1	Confident	93.7	Very high	96 Å²	96	43.5 Å²	43.5	45%	0.449	23%	0.228	S	C	.	.	S	Bend	trans	-93.9	-13.4	177.4	-66	-62.1	147.5	0	0	112.4	P167 R170	E97-P167 WeakPolarHBondContact O-CD 3.26Å; E97-P167 WeakPolarHBondContact OE2-CB 3.24Å; E97-P167 WeakPolarHBondContact OE2-CD 3.38Å; E97-P167 VanDerWaalsContact OE2-CG 3.23Å; E97-P167 WeakPolarHBondContact OE2-CG 3.17Å; E97-R170 IonicContact OE1-CZ 3.45Å; E97-R170 IonicContact OE1-NH1 2.78Å; E97-R170 PolarHBondContact OE1-NH1 3.05Å; E97-R170 IonicContact OE1-NH2 3.14Å; E97-R170 PolarHBondContact OE1-NH2 2.98Å; E97-R170 IonicContact OE2-NH1 3.5Å; E97-R170 PolarHBondContact OE2-NH1 3.2Å
98	D	85.6	Confident	93.7	Very high	75 Å²	75	44.2 Å²	44.2	40%	0.401	23%	0.232	S	C	.	.	S	Bend	trans	-101	-0.8	-176	66.9	-29.3	0	0	0	114.1	K32 S96	K32-D98 VanDerWaalsContact CE-OD2 3.31Å; K32-D98 WeakPolarHBondContact CE-OD2 3.39Å; K32-D98 IonicContact NZ-OD2 2.67Å; K32-D98 PolarHBondContact NZ-OD2 3.36Å; S96-D98 PolarHBondContact OG-OD1 3.13Å
99	Q	93	Very high	93.7	Very high	40 Å²	40	41 Å²	41	19%	0.187	22%	0.218	C	C	.	.			trans	-82.4	147.6	179.6	-167.2	177.5	17.6	0	0	110.9	K32 L34 I166	K32-Q99 WeakPolarHBondContact O-CG 3.39Å; L34-Q99 VanDerWaalsContact CB-NE2 3.29Å; Q99-I166 HydrophobicContact CB-CD1 3.65Å; Q99-I166 HydrophobicContact CB-CG1 4.23Å; Q99-I166 HydrophobicContact CG-CD1 4.16Å; Q99-I166 PolarHBondContact O-N 3.3Å; Q99-I166 VanDerWaalsContact O-N 3.16Å
100	V	96.8	Very high	93.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.3	176.7	-171.7	0	0	0	0	108.8	I28 K32 L33 L34 L119 F122 M163 G164 Y165	I28-V100 HydrophobicContact CD1-CG2 4.07Å; I28-V100 HydrophobicContact CG2-CG2 4.13Å; K32-V100 PolarHBondContact O-N 3.11Å; L33-V100 WeakPolarHBondContact CA-O 3.37Å; L34-V100 PolarHBondContact N-O 3.33Å; V100-L119 HydrophobicContact CB-CD2 4.49Å; V100-F122 HydrophobicContact CG1-CD1 4.22Å; V100-F122 HydrophobicContact CG1-CE1 3.82Å; V100-F122 HydrophobicContact CG1-CZ 4.27Å; V100-F122 HydrophobicContact CG2-CE1 4.44Å; V100-M163 HydrophobicContact CB-CE 4.32Å; V100-M163 HydrophobicContact CG1-CE 3.4Å; V100-M163 VanDerWaalsContact CG1-CE 3.4Å; V100-M163 HydrophobicContact CG1-CG 3.79Å; V100-M163 HydrophobicContact CG1-SD 4.47Å; V100-G164 WeakPolarHBondContact CA-O 3.38Å; V100-G164 WeakPolarHBondContact CG1-O 3.44Å; V100-Y165 HydrophobicContact CG2-CD1 3.93Å; V100-Y165 HydrophobicContact CG2-CE1 3.87Å
101	I	98.1	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.2	177.2	-57.7	-57.2	0	0	0	109.3	L34 L36 M94 M163 G164 I166 I169	L34-I101 HydrophobicContact CB-CD1 3.86Å; L34-I101 HydrophobicContact CD2-CD1 3.99Å; L34-I101 HydrophobicContact CG-CD1 4.22Å; L34-I101 WeakPolarHBondContact O-CA 3.35Å; L36-I101 HydrophobicContact CB-CG2 4.22Å; L36-I101 HydrophobicContact CD1-CD1 4.44Å; L36-I101 HydrophobicContact CD1-CG2 3.67Å; L36-I101 HydrophobicContact CG-CG2 3.76Å; M94-I101 HydrophobicContact CE-CD1 4.22Å; M94-I101 HydrophobicContact SD-CD1 3.87Å; M94-I101 HydrophobicContact SD-CG1 4.46Å; I101-M163 CarbonylContact O-C 3.57Å; I101-M163 VanDerWaalsContact O-CA 3.24Å; I101-M163 WeakPolarHBondContact O-CA 3.49Å; I101-G164 PolarHBondContact N-O 2.84Å; I101-G164 PolarHBondContact O-N 2.77Å; I101-I166 HydrophobicContact CD1-CD1 4Å; I101-I166 HydrophobicContact CD1-CG1 3.95Å; I101-I166 HydrophobicContact CG1-CD1 4.15Å; I101-I166 HydrophobicContact CG1-CG1 3.53Å; I101-I169 HydrophobicContact CB-CD1 3.61Å; I101-I169 HydrophobicContact CG1-CD1 4.34Å; I101-I169 HydrophobicContact CG2-CD1 4.14Å
102	L	98.6	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.5	159.2	169.6	66.9	0	0	0	107.4	L33 L34 V35 L36 I104 F111 L118 M163 F212 I244	L33-L102 HydrophobicContact CD1-CB 4.17Å; L34-L102 PolarHBondContact O-N 3.48Å; V35-L102 CarbonylContact C-O 3.56Å; V35-L102 WeakPolarHBondContact CA-O 3.42Å; V35-L102 HydrophobicContact CG1-CD2 4.16Å; V35-L102 HydrophobicContact CG1-CG 4.39Å; V35-L102 HydrophobicContact CG2-CB 4.39Å; V35-L102 HydrophobicContact CG2-CD2 3.98Å; L36-L102 PolarHBondContact N-O 3.35Å; L102-I104 HydrophobicContact CD1-CB 4.48Å; L102-I104 HydrophobicContact CD2-CG2 4.45Å; L102-I104 HydrophobicContact CG-CB 4.33Å; L102-I104 HydrophobicContact CG-CG2 4.4Å; L102-F111 HydrophobicContact CD2-CE1 3.69Å; L102-F111 HydrophobicContact CD2-CZ 3.89Å; L102-L118 HydrophobicContact CD2-CD2 3.93Å; L102-M163 HydrophobicContact CD1-CB 4.27Å; L102-F212 HydrophobicContact CD1-CE1 3.69Å; L102-F212 HydrophobicContact CD1-CZ 3.81Å; L102-I244 HydrophobicContact CD1-CD1 3.83Å; L102-I244 HydrophobicContact CD2-CD1 3.65Å; L102-I244 HydrophobicContact CG-CD1 4.4Å
103	F	98.6	Very high	94.2	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.2	167.4	-173.3	-94.3	0	0	0	109.1	L36 V38 K83 L87 G161 F162	L36-F103 HydrophobicContact CB-CD2 3.92Å; L36-F103 WeakPolarHBondContact O-CA 3.47Å; V38-F103 HydrophobicContact CG2-CE2 4.11Å; V38-F103 HydrophobicContact CG2-CZ 3.98Å; K83-F103 HydrophobicContact CB-CZ 4.1Å; L87-F103 HydrophobicContact CB-CD2 4.35Å; L87-F103 HydrophobicContact CB-CE2 4Å; L87-F103 HydrophobicContact CD1-CD2 3.68Å; L87-F103 HydrophobicContact CD1-CE2 4.15Å; L87-F103 HydrophobicContact CD1-CG 4.45Å; L87-F103 HydrophobicContact CD2-CD2 3.86Å; L87-F103 HydrophobicContact CD2-CE2 4.17Å; L87-F103 HydrophobicContact CD2-CG 4.04Å; L87-F103 HydrophobicContact CG-CD2 4.18Å; L87-F103 HydrophobicContact CG-CE2 4.33Å; F103-G161 CarbonylContact O-C 3.54Å; F103-G161 WeakPolarHBondContact O-CA 3.36Å; F103-F162 HydrophobicContact CB-CD1 4.25Å; F103-F162 HydrophobicContact CB-CD2 4.09Å; F103-F162 HydrophobicContact CB-CE1 3.82Å; F103-F162 HydrophobicContact CB-CE2 3.62Å; F103-F162 HydrophobicContact CB-CG 4.39Å; F103-F162 HydrophobicContact CB-CZ 3.49Å; F103-F162 VanDerWaalsContact CB-CZ 3.49Å; F103-F162 HydrophobicContact CD1-CD1 4.13Å; F103-F162 AromaticContact CD1-CE1 3.4Å; F103-F162 HydrophobicContact CD1-CE1 3.4Å; F103-F162 AromaticContact CD1-CZ 3.72Å; F103-F162 HydrophobicContact CD1-CZ 3.72Å; F103-F162 HydrophobicContact CE1-CE1 4.29Å; F103-F162 AromaticContact CG-CE1 3.88Å; F103-F162 HydrophobicContact CG-CE1 3.88Å; F103-F162 HydrophobicContact CG-CE2 4.35Å; F103-F162 AromaticContact CG-CZ 3.73Å; F103-F162 HydrophobicContact CG-CZ 3.73Å; F103-F162 PolarHBondContact N-O 3.16Å; F103-F162 PolarHBondContact O-N 3.21Å; F103-F162 VanDerWaalsContact O-O 3.13Å
104	I	98.3	Very high	94.5	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.1	-175.5	-166.9	71.9	0	0	0	110.6	V35 L36 T37 F49 L102 V109 F111 G160 G161 F212 I244	V35-I104 HydrophobicContact CG1-CG2 3.72Å; L36-I104 PolarHBondContact O-N 3.21Å; T37-I104 WeakPolarHBondContact CA-O 3.44Å; T37-I104 WeakPolarHBondContact CB-O 3.48Å; T37-I104 PolarHBondContact OG1-O 3.16Å; F49-I104 HydrophobicContact CE2-CG2 3.86Å; F49-I104 HydrophobicContact CZ-CG2 3.93Å; L102-I104 HydrophobicContact CD1-CB 4.48Å; L102-I104 HydrophobicContact CD2-CG2 4.45Å; L102-I104 HydrophobicContact CG-CB 4.33Å; L102-I104 HydrophobicContact CG-CG2 4.4Å; I104-V109 HydrophobicContact CD1-CG1 4.29Å; I104-V109 HydrophobicContact CD1-CG2 4.43Å; I104-V109 HydrophobicContact CG1-CB 4.43Å; I104-V109 HydrophobicContact CG1-CG1 3.68Å; I104-V109 HydrophobicContact CG1-CG2 4.13Å; I104-F111 HydrophobicContact CG2-CZ 4.5Å; I104-G160 CarbonylContact C-O 3.42Å; I104-G160 WeakPolarHBondContact CA-O 3.35Å; I104-G160 WeakPolarHBondContact CD1-O 3.33Å; I104-G161 VanDerWaalsContact CD1-CA 3.46Å; I104-F212 HydrophobicContact CD1-CD1 4.24Å; I104-F212 HydrophobicContact CD1-CE1 4.17Å; I104-I244 HydrophobicContact CD1-CG2 3.72Å; I104-I244 HydrophobicContact CG1-CG2 4.1Å
105	D	97.2	Very high	94.8	Very high	25 Å²	25	28 Å²	28	13%	0.134	14%	0.14	C	C	.	.			trans	-63.6	165.6	168	-73.6	-20.8	0	0	0	110.8	K83 V109 G160 H246	K83-D105 WeakPolarHBondContact CD-OD1 3.45Å; K83-D105 IonicContact NZ-OD1 2.96Å; K83-D105 PolarHBondContact NZ-OD1 3.27Å; K83-D105 IonicContact NZ-OD2 3.04Å; K83-D105 PolarHBondContact NZ-OD2 3.47Å; K83-D105 VanDerWaalsContact NZ-OD2 3.1Å; D105-V109 HydrophobicContact CB-CG2 4.11Å; D105-V109 VanDerWaalsContact O-CB 3.32Å; D105-V109 WeakPolarHBondContact O-CB 3.34Å; D105-V109 VanDerWaalsContact O-CG2 3.25Å; D105-V109 WeakPolarHBondContact O-CG2 3.49Å; D105-G160 PolarHBondContact N-O 2.92Å; D105-G160 WeakPolarHBondContact OD2-CA 3.34Å; D105-H246 IonicContact OD2-NE2 3.43Å
106	S	96.6	Very high	95.3	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.021	13%	0.128	C	C	.	.	S	Bend	trans	-129.9	-27.6	-173.1	59.6	0	0	0	0	116.3	T37 V38 F46 F49 D108	T37-S106 VanDerWaalsContact OG1-CB 3.24Å; T37-S106 WeakPolarHBondContact OG1-CB 3.43Å; V38-S106 PolarHBondContact O-OG 3.49Å; V38-S106 VanDerWaalsContact O-OG 3.1Å; F46-S106 WeakPolarHBondContact CD2-OG 3.28Å; F49-S106 WeakPolarHBondContact CB-O 3.43Å; S106-D108 VanDerWaalsContact C-N 3.27Å; S106-D108 PolarHBondContact O-N 2.97Å
107	Y	96.1	Very high	96	Very high	56 Å²	56	24.4 Å²	24.4	22%	0.22	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.4	-175.4	-67.1	-7	0	0	0	112.6	A39 T40 K41 T43 G45 F46 R48	A39-Y107 HydrophobicContact CB-CE1 3.91Å; T40-Y107 PolarHBondContact N-OH 2.97Å; T40-Y107 PolarHBondContact OG1-OH 2.9Å; K41-Y107 PolarHBondContact N-OH 3.46Å; K41-Y107 PolarHBondContact O-OH 3.34Å; T43-Y107 HydrophobicContact CG2-CD1 4.43Å; T43-Y107 HydrophobicContact CG2-CE1 3.99Å; T43-Y107 HydrophobicContact CG2-CE2 4.11Å; T43-Y107 VanDerWaalsContact OG1-CD1 3.27Å; T43-Y107 WeakPolarHBondContact OG1-CD1 3.43Å; T43-Y107 WeakPolarHBondContact OG1-CE1 3.42Å; G45-Y107 WeakPolarHBondContact CA-O 3.38Å; F46-Y107 HydrophobicContact CB-CD1 3.83Å; F46-Y107 HydrophobicContact CB-CE1 3.9Å; F46-Y107 HydrophobicContact CD2-CE1 4.48Å; F46-Y107 HydrophobicContact CG-CE1 4.45Å; R48-Y107 PolarHBondContact NH2-O 3.43Å
108	D	96.4	Very high	96.9	Very high	16 Å²	16	19.9 Å²	19.9	9%	0.086	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	27.6	-171.7	59.7	-25.7	0	0	0	112.2	S106 H246 G247 K252	S106-D108 VanDerWaalsContact C-N 3.27Å; S106-D108 PolarHBondContact O-N 2.97Å; D108-H246 IonicContact OD1-CD2 3.57Å; D108-H246 IonicContact OD1-NE2 2.89Å; D108-H246 IonicContact OD2-CD2 3.53Å; D108-H246 PolarHBondContact OD2-CD2 3.33Å; D108-H246 IonicContact OD2-NE2 2.87Å; D108-H246 PolarHBondContact OD2-NE2 2.74Å; D108-G247 PolarHBondContact O-N 3.05Å; D108-K252 HydrophobicContact CB-CD 3.79Å; D108-K252 IonicContact OD2-NZ 3.13Å; D108-K252 PolarHBondContact OD2-NZ 3.01Å
109	V	98.3	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.3	-177.3	173.3	0	0	0	0	111.6	F49 I104 D105 I244 L245 H246	F49-V109 WeakPolarHBondContact CB-O 3.24Å; F49-V109 HydrophobicContact CD2-CB 3.97Å; F49-V109 HydrophobicContact CD2-CG1 3.85Å; F49-V109 HydrophobicContact CE2-CB 4.43Å; F49-V109 HydrophobicContact CE2-CG1 3.98Å; I104-V109 HydrophobicContact CD1-CG1 4.29Å; I104-V109 HydrophobicContact CD1-CG2 4.43Å; I104-V109 HydrophobicContact CG1-CB 4.43Å; I104-V109 HydrophobicContact CG1-CG1 3.68Å; I104-V109 HydrophobicContact CG1-CG2 4.13Å; D105-V109 HydrophobicContact CB-CG2 4.11Å; D105-V109 VanDerWaalsContact O-CB 3.32Å; D105-V109 WeakPolarHBondContact O-CB 3.34Å; D105-V109 VanDerWaalsContact O-CG2 3.25Å; D105-V109 WeakPolarHBondContact O-CG2 3.49Å; V109-I244 HydrophobicContact CG1-CG2 3.62Å; V109-L245 VanDerWaalsContact CA-O 3.27Å; V109-L245 WeakPolarHBondContact CA-O 3.49Å; V109-H246 HydrophobicContact CG2-CB 4.15Å
110	V	98.4	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.1	172.5	171.8	0	0	0	0	110.5	R48 L245 M255 V262	R48-V110 HydrophobicContact CG-CG2 3.88Å; V110-L245 PolarHBondContact N-O 3.01Å; V110-L245 PolarHBondContact O-N 2.84Å; V110-M255 HydrophobicContact CB-CE 3.68Å; V110-M255 HydrophobicContact CG2-CE 3.52Å; V110-M255 HydrophobicContact CG2-SD 4.46Å; V110-V262 HydrophobicContact CG1-CB 4.33Å; V110-V262 HydrophobicContact CG1-CG1 3.92Å
111	F	98.6	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.6	168.5	-70.1	-79.6	0	0	0	110.7	V35 F49 S52 A53 F56 Y58 L102 I104 I244	V35-F111 HydrophobicContact CG1-CZ 4.17Å; V35-F111 HydrophobicContact CG2-CZ 4.34Å; F49-F111 HydrophobicContact CD2-CD2 4.43Å; F49-F111 HydrophobicContact CD2-CE2 4.07Å; F49-F111 HydrophobicContact CE2-CD2 4.12Å; F49-F111 AromaticContact CE2-CE2 3.34Å; F49-F111 HydrophobicContact CE2-CE2 3.34Å; F49-F111 AromaticContact CE2-CZ 3.99Å; F49-F111 HydrophobicContact CE2-CZ 3.99Å; F49-F111 AromaticContact CZ-CE2 3.71Å; F49-F111 HydrophobicContact CZ-CE2 3.71Å; F49-F111 HydrophobicContact CZ-CZ 4.29Å; S52-F111 PolarHBondContact OG-N 2.95Å; A53-F111 HydrophobicContact CB-CD2 3.8Å; A53-F111 HydrophobicContact CB-CE2 3.78Å; F56-F111 HydrophobicContact CD2-CB 3.91Å; F56-F111 HydrophobicContact CE2-CB 4.22Å; F56-F111 WeakPolarHBondContact CE2-O 3.31Å; Y58-F111 HydrophobicContact CD1-CE1 4.32Å; Y58-F111 HydrophobicContact CD1-CZ 4.5Å; Y58-F111 HydrophobicContact CD2-CD1 4.05Å; Y58-F111 HydrophobicContact CD2-CD2 4.27Å; Y58-F111 HydrophobicContact CD2-CE1 4.24Å; Y58-F111 HydrophobicContact CD2-CE2 4.44Å; Y58-F111 HydrophobicContact CD2-CG 4.07Å; Y58-F111 HydrophobicContact CD2-CZ 4.44Å; Y58-F111 HydrophobicContact CE1-CD1 4.32Å; Y58-F111 AromaticContact CE1-CE1 3.98Å; Y58-F111 HydrophobicContact CE1-CE1 3.98Å; Y58-F111 HydrophobicContact CE2-CB 4.14Å; Y58-F111 AromaticContact CE2-CD1 3.45Å; Y58-F111 HydrophobicContact CE2-CD1 3.45Å; Y58-F111 VanDerWaalsContact CE2-CD1 3.45Å; Y58-F111 HydrophobicContact CE2-CD2 4.41Å; Y58-F111 AromaticContact CE2-CE1 3.88Å; Y58-F111 HydrophobicContact CE2-CE1 3.88Å; Y58-F111 AromaticContact CE2-CG 3.75Å; Y58-F111 HydrophobicContact CE2-CG 3.75Å; Y58-F111 HydrophobicContact CG-CE1 4.45Å; Y58-F111 HydrophobicContact CG-CZ 4.43Å; Y58-F111 AromaticContact CZ-CD1 3.61Å; Y58-F111 AromaticContact CZ-CE1 3.74Å; L102-F111 HydrophobicContact CD2-CE1 3.69Å; L102-F111 HydrophobicContact CD2-CZ 3.89Å; I104-F111 HydrophobicContact CG2-CZ 4.5Å; F111-I244 HydrophobicContact CD1-CD1 4.42Å; F111-I244 HydrophobicContact CD1-CG1 3.74Å; F111-I244 HydrophobicContact CE1-CD1 3.94Å; F111-I244 HydrophobicContact CE1-CG1 3.74Å
112	A	97.6	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.097	C	C	.	.			trans	-107.6	-9.3	176.5	0	0	0	0	0	113.2	R232 V243 L245 V262	A112-R232 PolarHBondContact O-NE 3.33Å; A112-V243 PolarHBondContact N-O 3.29Å; A112-L245 HydrophobicContact CB-CD1 4.47Å; A112-L245 HydrophobicContact CB-CG 4.49Å; A112-V262 HydrophobicContact CB-CG1 3.68Å
113	S	97.4	Very high	97.7	Very high	6 Å²	6	23.8 Å²	23.8	4%	0.042	11%	0.107	C	C	.	.	S	Bend	trans	-156.3	169	172.9	-163.9	0	0	0	0	111.7	F56 Y58 E117 V243	F56-S113 VanDerWaalsContact CZ-CA 3.48Å; Y58-S113 WeakPolarHBondContact CE2-O 3.24Å; Y58-S113 PolarHBondContact OH-O 2.95Å; S113-E117 VanDerWaalsContact CB-OE2 3.32Å; S113-E117 WeakPolarHBondContact CB-OE2 3.34Å; S113-E117 PolarHBondContact OG-OE2 3.39Å; S113-V243 PolarHBondContact N-O 2.91Å; S113-V243 WeakPolarHBondContact O-CG1 3.42Å
114	G	97.1	Very high	97.6	Very high	11 Å²	11	28.1 Å²	28.1	11%	0.113	13%	0.127	C	C	.	.			trans	-91.4	173.7	-171.5	0	0	0	0	0	116.9	Y58 K116 E117 L118	Y58-G114 PolarHBondContact OH-O 3.37Å; G114-K116 VanDerWaalsContact C-N 3.28Å; G114-K116 PolarHBondContact O-N 2.81Å; G114-E117 PolarHBondContact O-N 3.05Å; G114-E117 VanDerWaalsContact O-N 3.11Å; G114-L118 PolarHBondContact O-N 2.86Å
115	P	98.1	Very high	97.5	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.052	14%	0.14	C	C	.	.	H	α-helix	trans	-52.2	-40.6	-173.1	-28.7	34	0	0	0	114.3	E30 L33 F56 Y58 E117 L118 L119	E30-P115 HydrophobicContact CB-CB 4.3Å; E30-P115 HydrophobicContact CG-CB 4.15Å; L33-P115 HydrophobicContact CD2-CB 3.88Å; L33-P115 HydrophobicContact CD2-CG 4.44Å; F56-P115 VanDerWaalsContact O-CD 3.25Å; F56-P115 WeakPolarHBondContact O-CD 3.29Å; Y58-P115 HydrophobicContact CD1-CG 3.75Å; Y58-P115 HydrophobicContact CD2-CG 4.4Å; Y58-P115 HydrophobicContact CE1-CB 4.16Å; Y58-P115 HydrophobicContact CE1-CG 3.68Å; Y58-P115 HydrophobicContact CE2-CG 4.36Å; Y58-P115 HydrophobicContact CG-CG 4.12Å; P115-E117 PolarHBondContact O-N 3.21Å; P115-L118 WeakPolarHBondContact O-CB 3.4Å; P115-L118 PolarHBondContact O-N 2.94Å; P115-L119 WeakPolarHBondContact O-CB 3.4Å; P115-L119 WeakPolarHBondContact O-CG 3.39Å; P115-L119 PolarHBondContact O-N 3.46Å
116	K	97.4	Very high	97.4	Very high	142 Å²	142	36.6 Å²	36.6	62%	0.617	17%	0.169	S	C	*	.	H	α-helix	trans	-55.7	-45.7	179	-168.9	174.6	179.3	175.6	0	113.5	E30 G114 R120	E30-K116 WeakPolarHBondContact OE1-CB 3.44Å; G114-K116 VanDerWaalsContact C-N 3.28Å; G114-K116 PolarHBondContact O-N 2.81Å; K116-R120 WeakPolarHBondContact O-CB 3.38Å; K116-R120 PolarHBondContact O-N 2.78Å
117	E	97.5	Very high	97.4	Very high	30 Å²	30	39.4 Å²	39.4	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-71.9	-40.8	179.7	-171.4	-174.4	147.3	0	0	110.7	S113 G114 P115 R120 K121 R232 V243	S113-E117 VanDerWaalsContact CB-OE2 3.32Å; S113-E117 WeakPolarHBondContact CB-OE2 3.34Å; S113-E117 PolarHBondContact OG-OE2 3.39Å; G114-E117 PolarHBondContact O-N 3.05Å; G114-E117 VanDerWaalsContact O-N 3.11Å; P115-E117 PolarHBondContact O-N 3.21Å; E117-R120 PolarHBondContact O-N 3.14Å; E117-K121 HydrophobicContact CG-CD 4.17Å; E117-K121 WeakPolarHBondContact O-CB 3.28Å; E117-K121 WeakPolarHBondContact O-CG 3.47Å; E117-K121 PolarHBondContact O-N 3.37Å; E117-K121 VanDerWaalsContact OE1-CE 3.29Å; E117-K121 WeakPolarHBondContact OE1-CE 3.5Å; E117-K121 IonicContact OE1-NZ 3.67Å; E117-K121 PolarHBondContact OE1-NZ 3.02Å; E117-R232 IonicContact OE1-CZ 2.98Å; E117-R232 IonicContact OE1-NH1 3Å; E117-R232 PolarHBondContact OE1-NH1 3.14Å; E117-R232 IonicContact OE1-NH2 2.78Å; E117-R232 PolarHBondContact OE1-NH2 2.87Å; E117-R232 IonicContact OE2-CZ 3.38Å; E117-R232 IonicContact OE2-NH1 2.8Å; E117-R232 PolarHBondContact OE2-NH1 2.88Å; E117-R232 IonicContact OE2-NH2 3.22Å; E117-R232 PolarHBondContact OE2-NH2 2.95Å; E117-V243 HydrophobicContact CG-CG2 4.22Å
118	L	98.4	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-55.8	177.3	-170.9	74.1	0	0	0	111.2	L33 Y58 L102 G114 P115 R120 K121 F122 M163 L211 V243 I244	L33-L118 HydrophobicContact CD1-CD2 4.49Å; L33-L118 HydrophobicContact CD2-CD2 3.83Å; Y58-L118 HydrophobicContact CE1-CD2 4Å; L102-L118 HydrophobicContact CD2-CD2 3.93Å; G114-L118 PolarHBondContact O-N 2.86Å; P115-L118 WeakPolarHBondContact O-CB 3.4Å; P115-L118 PolarHBondContact O-N 2.94Å; L118-R120 PolarHBondContact O-N 3.41Å; L118-K121 PolarHBondContact O-N 3.03Å; L118-K121 VanDerWaalsContact O-N 3.16Å; L118-F122 WeakPolarHBondContact O-CB 3.5Å; L118-F122 PolarHBondContact O-N 2.72Å; L118-M163 HydrophobicContact CD1-SD 4.42Å; L118-M163 HydrophobicContact CD2-CE 4.16Å; L118-M163 HydrophobicContact CD2-SD 3.85Å; L118-M163 HydrophobicContact CG-CE 4.31Å; L118-M163 HydrophobicContact CG-SD 3.81Å; L118-L211 HydrophobicContact CD1-CD2 3.62Å; L118-L211 HydrophobicContact CG-CD2 4.29Å; L118-L211 WeakPolarHBondContact O-CD2 3.36Å; L118-V243 HydrophobicContact CB-CG1 4.04Å; L118-V243 HydrophobicContact CD1-CB 3.88Å; L118-V243 HydrophobicContact CD1-CG1 3.72Å; L118-V243 HydrophobicContact CD1-CG2 4.32Å; L118-V243 HydrophobicContact CG-CG1 4.44Å; L118-I244 HydrophobicContact CD1-CD1 3.92Å
119	L	98.3	Very high	97.6	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-42.7	-178.7	-73.2	165.3	0	0	0	111.7	I28 E30 L33 V100 P115 K121 F122 Q123 M163	I28-L119 HydrophobicContact CB-CD2 4.1Å; I28-L119 HydrophobicContact CD1-CD2 4.39Å; I28-L119 HydrophobicContact CG2-CD1 4.46Å; I28-L119 HydrophobicContact CG2-CD2 3.88Å; E30-L119 HydrophobicContact CG-CD1 4.35Å; L33-L119 HydrophobicContact CB-CD1 4.28Å; L33-L119 HydrophobicContact CB-CD2 4.42Å; L33-L119 HydrophobicContact CD1-CD2 4.46Å; V100-L119 HydrophobicContact CB-CD2 4.49Å; P115-L119 WeakPolarHBondContact O-CB 3.4Å; P115-L119 WeakPolarHBondContact O-CG 3.39Å; P115-L119 PolarHBondContact O-N 3.46Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 2.75Å; L119-F122 PolarHBondContact O-N 2.63Å; L119-Q123 WeakPolarHBondContact O-CG 3.22Å; L119-Q123 PolarHBondContact O-N 2.87Å; L119-M163 HydrophobicContact CD2-CE 3.42Å; L119-M163 VanDerWaalsContact CD2-CE 3.42Å; L119-M163 HydrophobicContact CG-CE 4.19Å
120	R	98	Very high	97.6	Very high	132 Å²	132	40.4 Å²	40.4	50%	0.498	19%	0.186	S	C	.	.	H	α-helix	trans	-58	-46.1	175.3	-178.1	-175.3	66.8	160	-1.3	111.5	K116 E117 L118 Q123 Q124	K116-R120 WeakPolarHBondContact O-CB 3.38Å; K116-R120 PolarHBondContact O-N 2.78Å; E117-R120 PolarHBondContact O-N 3.14Å; L118-R120 PolarHBondContact O-N 3.41Å; R120-Q123 PolarHBondContact O-N 3.44Å; R120-Q124 VanDerWaalsContact O-CG 3.29Å; R120-Q124 WeakPolarHBondContact O-CG 3.18Å; R120-Q124 PolarHBondContact O-N 3.11Å
121	K	98.2	Very high	97.6	Very high	17 Å²	17	40.4 Å²	40.4	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-36.4	179.5	-77.4	174	166.1	176.7	0	112.2	E117 L118 L119 Q124 A125 R210 L211 L241 V243	E117-K121 HydrophobicContact CG-CD 4.17Å; E117-K121 WeakPolarHBondContact O-CB 3.28Å; E117-K121 WeakPolarHBondContact O-CG 3.47Å; E117-K121 PolarHBondContact O-N 3.37Å; E117-K121 VanDerWaalsContact OE1-CE 3.29Å; E117-K121 WeakPolarHBondContact OE1-CE 3.5Å; E117-K121 IonicContact OE1-NZ 3.67Å; E117-K121 PolarHBondContact OE1-NZ 3.02Å; L118-K121 PolarHBondContact O-N 3.03Å; L118-K121 VanDerWaalsContact O-N 3.16Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 2.75Å; K121-Q124 WeakPolarHBondContact O-CB 3.45Å; K121-Q124 PolarHBondContact O-N 3.1Å; K121-A125 PolarHBondContact O-N 2.9Å; K121-A125 VanDerWaalsContact O-N 3.13Å; K121-R210 VanDerWaalsContact CD-O 3.26Å; K121-R210 WeakPolarHBondContact CD-O 3.47Å; K121-R210 WeakPolarHBondContact CE-O 3.41Å; K121-R210 PolarHBondContact NZ-O 3.18Å; K121-L211 HydrophobicContact CB-CD2 3.47Å; K121-L211 VanDerWaalsContact CB-CD2 3.47Å; K121-L211 HydrophobicContact CB-CG 4.05Å; K121-L211 HydrophobicContact CD-CD2 4.43Å; K121-L241 PolarHBondContact NZ-O 2.96Å; K121-V243 HydrophobicContact CD-CG2 3.87Å
122	F	98.1	Very high	97.6	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-45.5	173.2	174.1	-110.9	0	0	0	111.5	I28 V100 L118 L119 Q124 A125 V130 M163 Y165	I28-F122 HydrophobicContact CD1-CD1 4.28Å; I28-F122 HydrophobicContact CD1-CE1 4.42Å; V100-F122 HydrophobicContact CG1-CD1 4.22Å; V100-F122 HydrophobicContact CG1-CE1 3.82Å; V100-F122 HydrophobicContact CG1-CZ 4.27Å; V100-F122 HydrophobicContact CG2-CE1 4.44Å; L118-F122 WeakPolarHBondContact O-CB 3.5Å; L118-F122 PolarHBondContact O-N 2.72Å; L119-F122 PolarHBondContact O-N 2.63Å; F122-Q124 VanDerWaalsContact C-N 3.34Å; F122-Q124 PolarHBondContact O-N 2.88Å; F122-A125 VanDerWaalsContact O-CB 3.31Å; F122-A125 WeakPolarHBondContact O-CB 3.38Å; F122-A125 PolarHBondContact O-N 3.23Å; F122-A125 VanDerWaalsContact O-N 3.15Å; F122-V130 HydrophobicContact CD2-CB 4.24Å; F122-V130 HydrophobicContact CD2-CG2 3.71Å; F122-V130 HydrophobicContact CE2-CB 4.36Å; F122-V130 HydrophobicContact CE2-CG2 3.78Å; F122-M163 HydrophobicContact CB-CE 4.05Å; F122-M163 HydrophobicContact CB-SD 3.77Å; F122-M163 HydrophobicContact CD1-CE 4Å; F122-M163 HydrophobicContact CD1-SD 4.4Å; F122-M163 HydrophobicContact CD2-CB 4.09Å; F122-M163 HydrophobicContact CD2-CG 3.86Å; F122-M163 HydrophobicContact CD2-SD 4.04Å; F122-M163 HydrophobicContact CE2-CB 4.28Å; F122-M163 HydrophobicContact CE2-CG 4.1Å; F122-M163 WeakPolarHBondContact CE2-O 3.49Å; F122-M163 HydrophobicContact CG-CE 3.99Å; F122-M163 HydrophobicContact CG-CG 4.12Å; F122-M163 HydrophobicContact CG-SD 3.81Å; F122-Y165 HydrophobicContact CE1-CD2 4.37Å; F122-Y165 AromaticContact CE1-CE2 3.77Å; F122-Y165 HydrophobicContact CE1-CE2 3.77Å; F122-Y165 AromaticContact CE1-CZ 3.93Å; F122-Y165 HydrophobicContact CZ-CD2 4.15Å; F122-Y165 AromaticContact CZ-CE2 3.85Å; F122-Y165 HydrophobicContact CZ-CE2 3.85Å
123	Q	96.6	Very high	97.6	Very high	45 Å²	45	40.4 Å²	40.4	21%	0.21	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-41.1	174.3	-70	-176.1	-75.4	0	0	112.1	Q26 I28 L119 R120 A125 K126	Q26-Q123 PolarHBondContact O-NE2 2.89Å; I28-Q123 HydrophobicContact CD1-CG 3.65Å; I28-Q123 HydrophobicContact CG1-CG 4.06Å; L119-Q123 WeakPolarHBondContact O-CG 3.22Å; L119-Q123 PolarHBondContact O-N 2.87Å; R120-Q123 PolarHBondContact O-N 3.44Å; Q123-A125 PolarHBondContact O-N 3.05Å; Q123-K126 PolarHBondContact O-N 2.91Å
124	Q	96.9	Very high	97.5	Very high	93 Å²	93	41.2 Å²	41.2	44%	0.435	19%	0.19	S	C	.	.	H	α-helix	trans	-62.4	-25.5	176.4	-75.2	174.8	-5	0	0	113.6	R120 K121 F122 K126	R120-Q124 VanDerWaalsContact O-CG 3.29Å; R120-Q124 WeakPolarHBondContact O-CG 3.18Å; R120-Q124 PolarHBondContact O-N 3.11Å; K121-Q124 WeakPolarHBondContact O-CB 3.45Å; K121-Q124 PolarHBondContact O-N 3.1Å; F122-Q124 VanDerWaalsContact C-N 3.34Å; F122-Q124 PolarHBondContact O-N 2.88Å; Q124-K126 PolarHBondContact O-N 2.87Å
125	A	95.8	Very high	97.3	Very high	33 Å²	33	42.6 Å²	42.6	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-66.9	-22	174.4	0	0	0	0	0	112	K121 F122 Q123 H127 V130	K121-A125 PolarHBondContact O-N 2.9Å; K121-A125 VanDerWaalsContact O-N 3.13Å; F122-A125 VanDerWaalsContact O-CB 3.31Å; F122-A125 WeakPolarHBondContact O-CB 3.38Å; F122-A125 PolarHBondContact O-N 3.23Å; F122-A125 VanDerWaalsContact O-N 3.15Å; Q123-A125 PolarHBondContact O-N 3.05Å; A125-H127 PolarHBondContact O-N 3.21Å; A125-H127 PolarHBondContact O-ND1 2.96Å; A125-V130 HydrophobicContact CB-CG2 3.68Å
126	K	96.2	Very high	97	Very high	172 Å²	172	46 Å²	46	75%	0.748	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	30.6	179.1	-59.9	-178.7	178.5	-175.9	0	114.4	Q123 Q124	Q123-K126 PolarHBondContact O-N 2.91Å; Q124-K126 PolarHBondContact O-N 2.87Å
127	H	97	Very high	96.8	Very high	62 Å²	62	40.6 Å²	40.6	29%	0.287	19%	0.193	S	C	.	.	S	Bend	trans	-124.9	164.3	177.4	-72.9	76	0	0	0	110.7	A125 V130 N202 T204	A125-H127 PolarHBondContact O-N 3.21Å; A125-H127 PolarHBondContact O-ND1 2.96Å; H127-V130 HydrophobicContact CB-CG2 4.3Å; H127-N202 PolarHBondContact CD2-OD1 2.9Å; H127-T204 HydrophobicContact CB-CG2 3.54Å; H127-T204 VanDerWaalsContact CD2-CB 3.44Å; H127-T204 WeakPolarHBondContact CD2-CB 3.25Å
128	K	97.3	Very high	96.4	Very high	92 Å²	92	44.6 Å²	44.6	40%	0.4	21%	0.206	S	C	.	.	S	Bend	trans	-89.8	-25.6	179.7	-62.4	-64.5	-176.3	177.2	0	112.5	G164 Y165 N168 N202	K128-G164 WeakPolarHBondContact O-CA 3.26Å; K128-Y165 HydrophobicContact CB-CD2 4.09Å; K128-Y165 HydrophobicContact CD-CD2 3.54Å; K128-Y165 HydrophobicContact CD-CE2 3.6Å; K128-Y165 HydrophobicContact CG-CD2 4.43Å; K128-Y165 WeakPolarHBondContact O-CD2 3.13Å; K128-Y165 PolarHBondContact O-N 2.94Å; K128-N168 HydrophobicContact CB-CB 4.4Å; K128-N168 WeakPolarHBondContact CB-ND2 3.45Å; K128-N202 HydrophobicContact CB-CB 4Å; K128-N202 HydrophobicContact CG-CB 3.87Å; K128-N202 PolarHBondContact N-O 2.91Å
129	V	98.3	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.6	172.9	-174.8	0	0	0	0	108.7	F131 M163 N168 M172 N202 I203 T204	V129-F131 HydrophobicContact CG1-CD2 3.94Å; V129-F131 HydrophobicContact CG1-CE2 3.62Å; V129-M163 CarbonylContact C-O 3.42Å; V129-M163 WeakPolarHBondContact CA-O 3.45Å; V129-N168 HydrophobicContact CG2-CB 3.63Å; V129-M172 HydrophobicContact CG1-CE 4.36Å; V129-M172 HydrophobicContact CG1-SD 4.23Å; V129-N202 PolarHBondContact N-O 2.95Å; V129-I203 HydrophobicContact CB-CG1 4.09Å; V129-I203 HydrophobicContact CB-CG2 4.45Å; V129-I203 HydrophobicContact CG1-CG2 4.44Å; V129-I203 WeakPolarHBondContact O-CA 3.5Å; V129-T204 PolarHBondContact O-N 2.93Å
130	V	98.6	Very high	95.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	115.1	177.4	-175.4	0	0	0	0	108.2	F122 A125 H127 F162 M163 T204 D206 L211	F122-V130 HydrophobicContact CD2-CB 4.24Å; F122-V130 HydrophobicContact CD2-CG2 3.71Å; F122-V130 HydrophobicContact CE2-CB 4.36Å; F122-V130 HydrophobicContact CE2-CG2 3.78Å; A125-V130 HydrophobicContact CB-CG2 3.68Å; H127-V130 HydrophobicContact CB-CG2 4.3Å; V130-F162 CarbonylContact O-C 3.53Å; V130-F162 VanDerWaalsContact O-CA 3.28Å; V130-F162 WeakPolarHBondContact O-CA 3.32Å; V130-F162 WeakPolarHBondContact O-CB 3.39Å; V130-M163 PolarHBondContact N-O 3.49Å; V130-M163 PolarHBondContact O-N 3.19Å; V130-T204 WeakPolarHBondContact CA-O 3.32Å; V130-T204 HydrophobicContact CB-CG2 4.32Å; V130-T204 HydrophobicContact CG1-CG2 4.17Å; V130-T204 HydrophobicContact CG2-CG2 3.83Å; V130-D206 HydrophobicContact CG1-CB 4.01Å; V130-L211 HydrophobicContact CB-CD1 4.35Å; V130-L211 HydrophobicContact CG1-CD1 3.8Å
131	F	98.8	Very high	95.5	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	153.8	171.7	-79.8	-98.4	0	0	0	111.3	V129 L157 F162 M172 F188 I203 T204 L205 D206	V129-F131 HydrophobicContact CG1-CD2 3.94Å; V129-F131 HydrophobicContact CG1-CE2 3.62Å; F131-L157 HydrophobicContact CB-CD1 4.17Å; F131-L157 HydrophobicContact CB-CG 4.04Å; F131-L157 HydrophobicContact CD1-CD1 3.77Å; F131-L157 HydrophobicContact CD1-CD2 3.93Å; F131-L157 HydrophobicContact CD1-CG 3.82Å; F131-L157 HydrophobicContact CD2-CD1 4.02Å; F131-L157 HydrophobicContact CE1-CD1 4.13Å; F131-L157 HydrophobicContact CE1-CD2 4.31Å; F131-L157 HydrophobicContact CE1-CG 4.49Å; F131-L157 HydrophobicContact CE2-CD1 4.35Å; F131-L157 HydrophobicContact CG-CD1 3.71Å; F131-L157 HydrophobicContact CG-CG 3.96Å; F131-L157 HydrophobicContact CZ-CD1 4.41Å; F131-F162 HydrophobicContact CB-CB 4.27Å; F131-F162 HydrophobicContact CD1-CB 3.5Å; F131-F162 VanDerWaalsContact CD1-CB 3.5Å; F131-F162 AromaticContact CD1-CD1 3.81Å; F131-F162 HydrophobicContact CD1-CD1 3.81Å; F131-F162 AromaticContact CD1-CG 3.89Å; F131-F162 HydrophobicContact CD1-CG 3.89Å; F131-F162 HydrophobicContact CD2-CB 4.19Å; F131-F162 HydrophobicContact CE1-CB 3.75Å; F131-F162 AromaticContact CE1-CD1 3.36Å; F131-F162 HydrophobicContact CE1-CD1 3.36Å; F131-F162 HydrophobicContact CE1-CD2 4.41Å; F131-F162 AromaticContact CE1-CE1 3.97Å; F131-F162 HydrophobicContact CE1-CE1 3.97Å; F131-F162 AromaticContact CE1-CG 3.6Å; F131-F162 HydrophobicContact CE1-CG 3.6Å; F131-F162 HydrophobicContact CE2-CB 4.41Å; F131-F162 HydrophobicContact CG-CB 3.73Å; F131-F162 HydrophobicContact CG-CG 4.47Å; F131-F162 HydrophobicContact CZ-CB 4.21Å; F131-F162 HydrophobicContact CZ-CD1 4.06Å; F131-F162 HydrophobicContact CZ-CD2 4.36Å; F131-F162 HydrophobicContact CZ-CE1 4.49Å; F131-F162 AromaticContact CZ-CG 3.97Å; F131-F162 HydrophobicContact CZ-CG 3.97Å; F131-M172 HydrophobicContact CE2-CE 4.17Å; F131-M172 HydrophobicContact CE2-SD 3.58Å; F131-M172 VanDerWaalsContact CE2-SD 3.58Å; F131-M172 HydrophobicContact CZ-CE 3.73Å; F131-M172 HydrophobicContact CZ-SD 3.49Å; F131-M172 WeakPolarHBondContact CZ-SD 3.43Å; F131-F188 HydrophobicContact CE1-CB 3.91Å; F131-F188 AromaticContact CE1-CD1 3.94Å; F131-F188 HydrophobicContact CE1-CD1 3.94Å; F131-F188 HydrophobicContact CE1-CD2 4.32Å; F131-F188 AromaticContact CE1-CG 3.81Å; F131-F188 HydrophobicContact CE1-CG 3.81Å; F131-F188 HydrophobicContact CZ-CB 4.15Å; F131-F188 AromaticContact CZ-CD1 3.67Å; F131-F188 HydrophobicContact CZ-CD1 3.67Å; F131-F188 HydrophobicContact CZ-CE1 4.29Å; F131-F188 AromaticContact CZ-CG 3.99Å; F131-F188 HydrophobicContact CZ-CG 3.99Å; F131-I203 HydrophobicContact CD2-CG2 3.56Å; F131-I203 HydrophobicContact CE2-CG2 3.79Å; F131-T204 PolarHBondContact N-O 3.35Å; F131-L205 HydrophobicContact CB-CD2 3.75Å; F131-L205 CarbonylContact O-C 3.22Å; F131-L205 WeakPolarHBondContact O-CA 3.46Å; F131-D206 PolarHBondContact O-N 3.49Å
132	S	98.3	Very high	95.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	160	160.1	82.4	0	0	0	0	110.2	G158 G161 F212 N214	S132-G158 PolarHBondContact O-N 2.91Å; S132-G158 VanDerWaalsContact OG-C 3.29Å; S132-G158 WeakPolarHBondContact OG-CA 3.23Å; S132-G158 PolarHBondContact OG-O 3.45Å; S132-G161 VanDerWaalsContact CB-O 3.3Å; S132-G161 WeakPolarHBondContact CB-O 3.35Å; S132-G161 PolarHBondContact N-O 2.77Å; S132-G161 PolarHBondContact OG-O 2.89Å; S132-F212 VanDerWaalsContact CB-CB 3.48Å; S132-N214 WeakPolarHBondContact CB-ND2 3.44Å; S132-N214 PolarHBondContact OG-ND2 3.28Å
133	S	97.4	Very high	95.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.1	179.6	62	0	0	0	0	111.7	N154 F156 D206 N214	S133-N154 VanDerWaalsContact OG-CB 3.25Å; S133-N154 WeakPolarHBondContact OG-CB 3.3Å; S133-F156 CarbonylContact C-O 3.58Å; S133-F156 WeakPolarHBondContact CA-O 3.25Å; S133-F156 WeakPolarHBondContact CB-O 3.33Å; S133-D206 PolarHBondContact OG-O 3.22Å; S133-N214 PolarHBondContact O-ND2 3.39Å
134	E	94.8	Very high	95.1	Very high	22 Å²	22	60.1 Å²	60.1	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.8	-179.4	-63.8	-178.9	-106.3	0	0	110.6	R155 F156 G158 N214 N248	E134-R155 PolarHBondContact O-N 2.79Å; E134-F156 PolarHBondContact N-O 3.42Å; E134-F156 PolarHBondContact O-N 2.82Å; E134-F156 VanDerWaalsContact O-N 3.13Å; E134-G158 WeakPolarHBondContact OE1-CA 3.11Å; E134-N214 HydrophobicContact CG-CB 4.04Å; E134-N214 WeakPolarHBondContact CG-ND2 3.46Å; E134-N248 PolarHBondContact OE2-ND2 2.75Å
135	S	92.4	Very high	95.1	Very high	40 Å²	40	62.9 Å²	62.9	28%	0.28	30%	0.3	S	S	.	.	S	Bend	trans	-79.7	-25.7	174.2	55.2	0	0	0	0	112.2	F156 G217	S135-F156 WeakPolarHBondContact O-CD2 3.3Å; S135-F156 VanDerWaalsContact O-CE2 3.3Å; S135-F156 WeakPolarHBondContact O-CE2 3.45Å; S135-G217 PolarHBondContact OG-O 3.24Å; S135-G217 VanDerWaalsContact OG-O 3.04Å
136	L	92.3	Very high	95.1	Very high	81 Å²	81	67.5 Å²	67.5	42%	0.424	31%	0.314	S	S	.	.	S	Bend	trans	-103.8	134	-178.8	-55.9	178	0	0	0	110.8	F156	L136-F156 VanDerWaalsContact C-CD2 3.49Å
137	I	93.1	Very high	95.1	Very high	28 Å²	28	59.6 Å²	59.6	14%	0.144	28%	0.28	C	S	.	.			trans	-80.1	128.6	172.7	-173.4	166.9	0	0	0	110.5	D140 R141 L143 E144 Y147 F156	I137-D140 WeakPolarHBondContact CD1-O 3.41Å; I137-R141 HydrophobicContact CG2-CB 4.11Å; I137-R141 HydrophobicContact CG2-CG 3.84Å; I137-L143 HydrophobicContact CD1-CB 4.25Å; I137-E144 HydrophobicContact CD1-CB 3.89Å; I137-Y147 HydrophobicContact CD1-CD2 4.27Å; I137-Y147 HydrophobicContact CD1-CE2 4.09Å; I137-F156 HydrophobicContact CB-CD1 3.78Å; I137-F156 HydrophobicContact CB-CD2 3.89Å; I137-F156 HydrophobicContact CB-CE1 3.87Å; I137-F156 HydrophobicContact CB-CE2 3.96Å; I137-F156 HydrophobicContact CB-CG 3.79Å; I137-F156 HydrophobicContact CB-CZ 3.95Å; I137-F156 HydrophobicContact CD1-CD1 4.01Å; I137-F156 HydrophobicContact CD1-CE1 3.98Å; I137-F156 HydrophobicContact CG1-CD1 4.03Å; I137-F156 HydrophobicContact CG1-CE1 4.3Å; I137-F156 HydrophobicContact CG1-CG 4.34Å; I137-F156 HydrophobicContact CG2-CE2 4.5Å; I137-F156 HydrophobicContact CG2-CZ 4.38Å
138	W	90.4	Very high	95	Very high	113 Å²	113	58.3 Å²	58.3	43%	0.428	28%	0.277	S	S	.	.			trans	-149.7	148.2	178.1	-171.1	90.9	0	0	0	110.5	A77 Q185	A77-W138 HydrophobicContact CB-CH2 4.27Å; A77-W138 HydrophobicContact CB-CZ2 3.36Å; W138-Q185 HydrophobicContact CE3-CB 3.93Å; W138-Q185 HydrophobicContact CE3-CG 3.74Å; W138-Q185 HydrophobicContact CZ3-CB 3.66Å; W138-Q185 HydrophobicContact CZ3-CG 4.04Å; W138-Q185 VanDerWaalsContact O-CG 3.26Å; W138-Q185 WeakPolarHBondContact O-CG 3.5Å; W138-Q185 PolarHBondContact O-NE2 2.92Å
139	P	90.1	Very high	94.8	Very high	42 Å²	42	61.6 Å²	61.6	27%	0.273	29%	0.293	S	S	.	.	S	Bend	cis	-84.7	-16.5	-5.1	33.1	-34.6	0	0	0	114.5	L186	P139-L186 HydrophobicContact CG-CB 3.97Å; P139-L186 HydrophobicContact CG-CD1 4.38Å
140	D	91.8	Very high	94.4	Very high	57 Å²	57	63.2 Å²	63.2	31%	0.305	30%	0.303	S	S	.	.			trans	-111.3	103.9	-172.1	-174.7	4.4	0	0	0	112.2	I137 H142 L143 L186	I137-D140 WeakPolarHBondContact CD1-O 3.41Å; D140-H142 PolarHBondContact O-N 2.71Å; D140-H142 WeakPolarHBondContact OD1-CB 3.44Å; D140-H142 IonicContact OD1-CE1 3.56Å; D140-H142 IonicContact OD1-CG 2.74Å; D140-H142 PolarHBondContact OD1-N 2.93Å; D140-H142 IonicContact OD1-ND1 3.65Å; D140-H142 PolarHBondContact OD1-ND1 3.01Å; D140-L143 HydrophobicContact CB-CD1 4.02Å; D140-L143 HydrophobicContact CB-CG 4.13Å; D140-L143 PolarHBondContact O-N 2.96Å; D140-L186 HydrophobicContact CB-CD1 4.3Å
141	R	92.4	Very high	93.8	Very high	183 Å²	183	74.8 Å²	74.8	69%	0.691	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-64.1	-24.2	179.7	-171.6	174.2	-178.3	-174.8	1.2	113.2	I137 L143 E144	I137-R141 HydrophobicContact CG2-CB 4.11Å; I137-R141 HydrophobicContact CG2-CG 3.84Å; R141-L143 PolarHBondContact O-N 2.86Å; R141-E144 IonicContact NE-OE2 2.66Å; R141-E144 WeakPolarHBondContact O-CB 3.34Å; R141-E144 PolarHBondContact O-N 2.85Å; R141-E144 VanDerWaalsContact O-N 3.14Å
142	H	94.9	Very high	93.4	Very high	167 Å²	167	79.7 Å²	79.7	77%	0.773	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-67.9	-9.2	179.7	-52.8	95.2	0	0	0	113.2	D140 E144	D140-H142 PolarHBondContact O-N 2.71Å; D140-H142 WeakPolarHBondContact OD1-CB 3.44Å; D140-H142 IonicContact OD1-CE1 3.56Å; D140-H142 IonicContact OD1-CG 2.74Å; D140-H142 PolarHBondContact OD1-N 2.93Å; D140-H142 IonicContact OD1-ND1 3.65Å; D140-H142 PolarHBondContact OD1-ND1 3.01Å; H142-E144 VanDerWaalsContact C-N 3.34Å
143	L	95.4	Very high	93.1	Very high	15 Å²	15	80.8 Å²	80.8	8%	0.079	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-87.1	-3.8	176.9	-56.7	178.9	0	0	0	113.1	I137 D140 R141 D145 K146 Y147 L186 T189 I193	I137-L143 HydrophobicContact CD1-CB 4.25Å; D140-L143 HydrophobicContact CB-CD1 4.02Å; D140-L143 HydrophobicContact CB-CG 4.13Å; D140-L143 PolarHBondContact O-N 2.96Å; R141-L143 PolarHBondContact O-N 2.86Å; L143-D145 VanDerWaalsContact C-N 3.34Å; L143-D145 PolarHBondContact O-N 2.98Å; L143-K146 HydrophobicContact CD2-CD 4.02Å; L143-K146 WeakPolarHBondContact O-CB 3.37Å; L143-K146 PolarHBondContact O-N 2.85Å; L143-Y147 WeakPolarHBondContact O-CD2 3.18Å; L143-Y147 PolarHBondContact O-N 3.17Å; L143-L186 HydrophobicContact CD1-CD1 3.78Å; L143-T189 HydrophobicContact CD1-CG2 3.74Å; L143-I193 HydrophobicContact CB-CD1 4.35Å; L143-I193 HydrophobicContact CD1-CD1 4.18Å; L143-I193 HydrophobicContact CD2-CD1 3.99Å; L143-I193 HydrophobicContact CG-CD1 4.41Å
144	E	95.4	Very high	93.1	Very high	61 Å²	61	81.1 Å²	81.1	29%	0.285	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-53.6	-45.7	-175	-178.7	166.6	-173.1	0	0	113.1	I137 R141 H142 K146 Y147 R155 F156	I137-E144 HydrophobicContact CD1-CB 3.89Å; R141-E144 IonicContact NE-OE2 2.66Å; R141-E144 WeakPolarHBondContact O-CB 3.34Å; R141-E144 PolarHBondContact O-N 2.85Å; R141-E144 VanDerWaalsContact O-N 3.14Å; H142-E144 VanDerWaalsContact C-N 3.34Å; E144-K146 PolarHBondContact O-N 2.94Å; E144-Y147 PolarHBondContact O-N 3.01Å; E144-R155 PolarHBondContact O-NH2 2.92Å; E144-R155 IonicContact OE1-NH1 2.77Å; E144-F156 HydrophobicContact CB-CE1 4.49Å; E144-F156 HydrophobicContact CG-CE1 3.99Å; E144-F156 HydrophobicContact CG-CZ 3.97Å
145	D	95.4	Very high	93.2	Very high	151 Å²	151	82.8 Å²	82.8	81%	0.807	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-68.9	-18.9	-179.8	-65.5	-29.6	0	0	0	113.5	L143	L143-D145 VanDerWaalsContact C-N 3.34Å; L143-D145 PolarHBondContact O-N 2.98Å
146	K	96.5	Very high	93.4	Very high	129 Å²	129	81.5 Å²	81.5	56%	0.561	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-83.1	-16.9	177.9	-57.9	-177.5	-179.1	175.9	0	112.4	L143 E144 I193	L143-K146 HydrophobicContact CD2-CD 4.02Å; L143-K146 WeakPolarHBondContact O-CB 3.37Å; L143-K146 PolarHBondContact O-N 2.85Å; E144-K146 PolarHBondContact O-N 2.94Å; K146-I193 HydrophobicContact CB-CB 4.06Å; K146-I193 HydrophobicContact CB-CD1 4.11Å; K146-I193 HydrophobicContact CB-CG2 4.35Å; K146-I193 HydrophobicContact CD-CD1 3.93Å
147	Y	96.9	Very high	93.7	Very high	6 Å²	6	77.7 Å²	77.7	2%	0.024	36%	0.357	C	S	.	.	S	Bend	trans	-71.9	138.2	174.5	-86.8	-98.5	0	0	0	110.9	I137 L143 E144 H149 R155 F156 L157 T189 Y192 I193	I137-Y147 HydrophobicContact CD1-CD2 4.27Å; I137-Y147 HydrophobicContact CD1-CE2 4.09Å; L143-Y147 WeakPolarHBondContact O-CD2 3.18Å; L143-Y147 PolarHBondContact O-N 3.17Å; E144-Y147 PolarHBondContact O-N 3.01Å; Y147-H149 PolarHBondContact O-N 3.3Å; Y147-R155 WeakPolarHBondContact CD1-O 3.48Å; Y147-R155 PolarHBondContact O-NH2 3.39Å; Y147-F156 HydrophobicContact CD1-CD1 4.08Å; Y147-F156 AromaticContact CD2-CD1 3.96Å; Y147-F156 HydrophobicContact CD2-CD1 3.96Å; Y147-F156 HydrophobicContact CD2-CE1 4.36Å; Y147-F156 HydrophobicContact CE1-CB 4.43Å; Y147-F156 HydrophobicContact CE1-CD1 4.3Å; Y147-F156 HydrophobicContact CE2-CD1 4.16Å; Y147-F156 AromaticContact CG-CD1 3.91Å; Y147-F156 HydrophobicContact CG-CD1 3.91Å; Y147-F156 HydrophobicContact CG-CE1 4.33Å; Y147-L157 HydrophobicContact CE1-CB 4.14Å; Y147-T189 HydrophobicContact CE2-CG2 3.86Å; Y147-T189 WeakPolarHBondContact OH-CB 3.4Å; Y147-T189 WeakPolarHBondContact OH-CG2 3.35Å; Y147-T189 PolarHBondContact OH-OG1 3.36Å; Y147-Y192 AromaticContact CD1-CD1 3.92Å; Y147-Y192 HydrophobicContact CD1-CD1 3.92Å; Y147-Y192 AromaticContact CD1-CE1 3.66Å; Y147-Y192 HydrophobicContact CD1-CE1 3.66Å; Y147-Y192 AromaticContact CE1-CD1 3.59Å; Y147-Y192 HydrophobicContact CE1-CD1 3.59Å; Y147-Y192 AromaticContact CE1-CE1 3.74Å; Y147-Y192 HydrophobicContact CE1-CE1 3.74Å; Y147-I193 HydrophobicContact CD1-CG2 4.39Å; Y147-I193 HydrophobicContact CD2-CG2 3.7Å; Y147-I193 HydrophobicContact CE1-CG2 4.32Å; Y147-I193 HydrophobicContact CE2-CG2 3.63Å; Y147-I193 HydrophobicContact CG-CG2 4.09Å
148	P	94.2	Very high	93.8	Very high	36 Å²	36	76.3 Å²	76.3	23%	0.234	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-50.8	142.7	168.8	-26.2	36.1	0	0	0	111.5	V150 R155 Y192 R198	P148-V150 PolarHBondContact O-N 2.64Å; P148-R155 PolarHBondContact O-NE 2.74Å; P148-Y192 HydrophobicContact CG-CE1 4.33Å; P148-R198 VanDerWaalsContact CG-CZ 3.43Å
149	H	92.3	Very high	94	Very high	160 Å²	160	71.3 Å²	71.3	74%	0.741	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-69.1	130.9	171.8	-174.4	-78.6	0	0	0	109.6	Y147	Y147-H149 PolarHBondContact O-N 3.3Å
150	V	90.1	Very high	94.3	Very high	34 Å²	34	69.6 Å²	69.6	21%	0.206	32%	0.322	C	S	.	.			trans	-112.2	123.5	175.3	178.8	0	0	0	0	107.2	P148 E152 R155 T207	P148-V150 PolarHBondContact O-N 2.64Å; V150-E152 VanDerWaalsContact C-N 3.32Å; V150-E152 WeakPolarHBondContact CG1-O 3.25Å; V150-R155 HydrophobicContact CB-CG 4.5Å; V150-R155 HydrophobicContact CG2-CB 4.44Å; V150-R155 HydrophobicContact CG2-CG 4.18Å; V150-T207 HydrophobicContact CG1-CG2 4Å; V150-T207 HydrophobicContact CG2-CG2 4.2Å
151	R	87.3	Confident	94.5	Very high	245 Å²	245	66.9 Å²	66.9	93%	0.925	31%	0.308	S	S	*	.	S	Bend	trans	-68	-35	-178.4	-173.9	-180	179.7	-174.9	0.3	112.1
152	E	89.3	Confident	94.8	Very high	104 Å²	104	58.1 Å²	58.1	49%	0.486	28%	0.275	S	S	.	.	S	Bend	trans	-154	133.9	-176.3	-168.3	-163.1	147.5	0	0	109.2	V150 K208	V150-E152 VanDerWaalsContact C-N 3.32Å; V150-E152 WeakPolarHBondContact CG1-O 3.25Å; E152-K208 IonicContact OE1-NZ 3.77Å; E152-K208 PolarHBondContact OE1-NZ 2.94Å; E152-K208 IonicContact OE2-NZ 2.74Å; E152-K208 PolarHBondContact OE2-NZ 3.12Å
153	G	93.6	Very high	95	Very high	22 Å²	22	50.2 Å²	50.2	23%	0.227	24%	0.238	C	C	.	.	S	Bend	trans	104.7	176.3	-177.2	0	0	0	0	0	113.9	T207	G153-T207 CarbonylContact C-O 3.52Å; G153-T207 WeakPolarHBondContact CA-O 3.5Å
154	N	96.2	Very high	95.1	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.043	23%	0.234	C	C	.	.			trans	-62.3	135.7	176.9	-73.9	-23.5	0	0	0	111.3	S133 T207 C209	S133-N154 VanDerWaalsContact OG-CB 3.25Å; S133-N154 WeakPolarHBondContact OG-CB 3.3Å; N154-T207 PolarHBondContact N-O 3.26Å; N154-T207 VanDerWaalsContact O-CB 3.32Å; N154-T207 WeakPolarHBondContact O-CB 3.47Å; N154-T207 VanDerWaalsContact O-CG2 3.26Å; N154-T207 WeakPolarHBondContact O-CG2 3.44Å; N154-C209 PolarHBondContact ND2-SG 3.3Å; N154-C209 VanDerWaalsContact ND2-SG 3.36Å
155	R	96.3	Very high	95.2	Very high	57 Å²	57	48.9 Å²	48.9	22%	0.215	23%	0.23	C	C	.	.			trans	-98.9	-29.9	-171.5	-174.4	177.1	178.9	-157.2	-4.7	113.4	E134 E144 Y147 P148 V150 L205	E134-R155 PolarHBondContact O-N 2.79Å; E144-R155 PolarHBondContact O-NH2 2.92Å; E144-R155 IonicContact OE1-NH1 2.77Å; Y147-R155 WeakPolarHBondContact CD1-O 3.48Å; Y147-R155 PolarHBondContact O-NH2 3.39Å; P148-R155 PolarHBondContact O-NE 2.74Å; V150-R155 HydrophobicContact CB-CG 4.5Å; V150-R155 HydrophobicContact CG2-CB 4.44Å; V150-R155 HydrophobicContact CG2-CG 4.18Å; R155-L205 VanDerWaalsContact O-CD1 3.26Å; R155-L205 WeakPolarHBondContact O-CD1 3.12Å
156	F	97.6	Very high	95.2	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.057	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	151.1	-168.2	-51.3	-63.3	0	0	0	111.2	S133 E134 S135 L136 I137 E144 Y147	S133-F156 CarbonylContact C-O 3.58Å; S133-F156 WeakPolarHBondContact CA-O 3.25Å; S133-F156 WeakPolarHBondContact CB-O 3.33Å; E134-F156 PolarHBondContact N-O 3.42Å; E134-F156 PolarHBondContact O-N 2.82Å; E134-F156 VanDerWaalsContact O-N 3.13Å; S135-F156 WeakPolarHBondContact O-CD2 3.3Å; S135-F156 VanDerWaalsContact O-CE2 3.3Å; S135-F156 WeakPolarHBondContact O-CE2 3.45Å; L136-F156 VanDerWaalsContact C-CD2 3.49Å; I137-F156 HydrophobicContact CB-CD1 3.78Å; I137-F156 HydrophobicContact CB-CD2 3.89Å; I137-F156 HydrophobicContact CB-CE1 3.87Å; I137-F156 HydrophobicContact CB-CE2 3.96Å; I137-F156 HydrophobicContact CB-CG 3.79Å; I137-F156 HydrophobicContact CB-CZ 3.95Å; I137-F156 HydrophobicContact CD1-CD1 4.01Å; I137-F156 HydrophobicContact CD1-CE1 3.98Å; I137-F156 HydrophobicContact CG1-CD1 4.03Å; I137-F156 HydrophobicContact CG1-CE1 4.3Å; I137-F156 HydrophobicContact CG1-CG 4.34Å; I137-F156 HydrophobicContact CG2-CE2 4.5Å; I137-F156 HydrophobicContact CG2-CZ 4.38Å; E144-F156 HydrophobicContact CB-CE1 4.49Å; E144-F156 HydrophobicContact CG-CE1 3.99Å; E144-F156 HydrophobicContact CG-CZ 3.97Å; Y147-F156 HydrophobicContact CD1-CD1 4.08Å; Y147-F156 AromaticContact CD2-CD1 3.96Å; Y147-F156 HydrophobicContact CD2-CD1 3.96Å; Y147-F156 HydrophobicContact CD2-CE1 4.36Å; Y147-F156 HydrophobicContact CE1-CB 4.43Å; Y147-F156 HydrophobicContact CE1-CD1 4.3Å; Y147-F156 HydrophobicContact CE2-CD1 4.16Å; Y147-F156 AromaticContact CG-CD1 3.91Å; Y147-F156 HydrophobicContact CG-CD1 3.91Å; Y147-F156 HydrophobicContact CG-CE1 4.33Å
157	L	97.4	Very high	95.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	147.1	178.9	180	148	0	0	0	109.1	F131 Y147 Q185 F188 Y192 L205	F131-L157 HydrophobicContact CB-CD1 4.17Å; F131-L157 HydrophobicContact CB-CG 4.04Å; F131-L157 HydrophobicContact CD1-CD1 3.77Å; F131-L157 HydrophobicContact CD1-CD2 3.93Å; F131-L157 HydrophobicContact CD1-CG 3.82Å; F131-L157 HydrophobicContact CD2-CD1 4.02Å; F131-L157 HydrophobicContact CE1-CD1 4.13Å; F131-L157 HydrophobicContact CE1-CD2 4.31Å; F131-L157 HydrophobicContact CE1-CG 4.49Å; F131-L157 HydrophobicContact CE2-CD1 4.35Å; F131-L157 HydrophobicContact CG-CD1 3.71Å; F131-L157 HydrophobicContact CG-CG 3.96Å; F131-L157 HydrophobicContact CZ-CD1 4.41Å; Y147-L157 HydrophobicContact CE1-CB 4.14Å; L157-Q185 PolarHBondContact O-NE2 3.11Å; L157-F188 HydrophobicContact CD1-CB 4.23Å; L157-F188 HydrophobicContact CD2-CB 3.87Å; L157-Y192 HydrophobicContact CD1-CG 4.05Å; L157-L205 HydrophobicContact CB-CD2 3.91Å; L157-L205 HydrophobicContact CD1-CD2 4.12Å; L157-L205 HydrophobicContact CG-CD2 4.09Å
158	G	96.2	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.2	163.7	0	0	0	0	0	111.6	S132 E134 G160	S132-G158 PolarHBondContact O-N 2.91Å; S132-G158 VanDerWaalsContact OG-C 3.29Å; S132-G158 WeakPolarHBondContact OG-CA 3.23Å; S132-G158 PolarHBondContact OG-O 3.45Å; E134-G158 WeakPolarHBondContact OE1-CA 3.11Å; G158-G160 VanDerWaalsContact C-N 3.35Å
159	S	95.5	Very high	95.2	Very high	8 Å²	8	37 Å²	37	6%	0.056	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-15.6	-175	65.9	0	0	0	0	113.6	G161 D184 Q185	S159-G161 PolarHBondContact O-N 3.03Å; S159-G161 VanDerWaalsContact O-N 3.1Å; S159-D184 PolarHBondContact OG-OD2 2.86Å; S159-Q185 PolarHBondContact OG-OE1 3.36Å; S159-Q185 VanDerWaalsContact OG-OE1 3.08Å
160	G	94.8	Very high	95.4	Very high	5 Å²	5	32.5 Å²	32.5	5%	0.052	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-17.5	179.9	0	0	0	0	0	113.5	I104 D105 G158	I104-G160 CarbonylContact C-O 3.42Å; I104-G160 WeakPolarHBondContact CA-O 3.35Å; I104-G160 WeakPolarHBondContact CD1-O 3.33Å; D105-G160 PolarHBondContact N-O 2.92Å; D105-G160 WeakPolarHBondContact OD2-CA 3.34Å; G158-G160 VanDerWaalsContact C-N 3.35Å
161	G	97.6	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	133.2	174.3	0	0	0	0	0	114.2	F103 I104 S132 S159	F103-G161 CarbonylContact O-C 3.54Å; F103-G161 WeakPolarHBondContact O-CA 3.36Å; I104-G161 VanDerWaalsContact CD1-CA 3.46Å; S132-G161 VanDerWaalsContact CB-O 3.3Å; S132-G161 WeakPolarHBondContact CB-O 3.35Å; S132-G161 PolarHBondContact N-O 2.77Å; S132-G161 PolarHBondContact OG-O 2.89Å; S159-G161 PolarHBondContact O-N 3.03Å; S159-G161 VanDerWaalsContact O-N 3.1Å
162	F	98.6	Very high	96	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	157.2	169.7	59.5	-92.6	0	0	0	112.2	L87 F103 V130 F131 I169 M172 F188	L87-F162 HydrophobicContact CD2-CE2 4.26Å; L87-F162 HydrophobicContact CD2-CZ 3.57Å; F103-F162 HydrophobicContact CB-CD1 4.25Å; F103-F162 HydrophobicContact CB-CD2 4.09Å; F103-F162 HydrophobicContact CB-CE1 3.82Å; F103-F162 HydrophobicContact CB-CE2 3.62Å; F103-F162 HydrophobicContact CB-CG 4.39Å; F103-F162 HydrophobicContact CB-CZ 3.49Å; F103-F162 VanDerWaalsContact CB-CZ 3.49Å; F103-F162 HydrophobicContact CD1-CD1 4.13Å; F103-F162 AromaticContact CD1-CE1 3.4Å; F103-F162 HydrophobicContact CD1-CE1 3.4Å; F103-F162 AromaticContact CD1-CZ 3.72Å; F103-F162 HydrophobicContact CD1-CZ 3.72Å; F103-F162 HydrophobicContact CE1-CE1 4.29Å; F103-F162 AromaticContact CG-CE1 3.88Å; F103-F162 HydrophobicContact CG-CE1 3.88Å; F103-F162 HydrophobicContact CG-CE2 4.35Å; F103-F162 AromaticContact CG-CZ 3.73Å; F103-F162 HydrophobicContact CG-CZ 3.73Å; F103-F162 PolarHBondContact N-O 3.16Å; F103-F162 PolarHBondContact O-N 3.21Å; F103-F162 VanDerWaalsContact O-O 3.13Å; V130-F162 CarbonylContact O-C 3.53Å; V130-F162 VanDerWaalsContact O-CA 3.28Å; V130-F162 WeakPolarHBondContact O-CA 3.32Å; V130-F162 WeakPolarHBondContact O-CB 3.39Å; F131-F162 HydrophobicContact CB-CB 4.27Å; F131-F162 HydrophobicContact CD1-CB 3.5Å; F131-F162 VanDerWaalsContact CD1-CB 3.5Å; F131-F162 AromaticContact CD1-CD1 3.81Å; F131-F162 HydrophobicContact CD1-CD1 3.81Å; F131-F162 AromaticContact CD1-CG 3.89Å; F131-F162 HydrophobicContact CD1-CG 3.89Å; F131-F162 HydrophobicContact CD2-CB 4.19Å; F131-F162 HydrophobicContact CE1-CB 3.75Å; F131-F162 AromaticContact CE1-CD1 3.36Å; F131-F162 HydrophobicContact CE1-CD1 3.36Å; F131-F162 HydrophobicContact CE1-CD2 4.41Å; F131-F162 AromaticContact CE1-CE1 3.97Å; F131-F162 HydrophobicContact CE1-CE1 3.97Å; F131-F162 AromaticContact CE1-CG 3.6Å; F131-F162 HydrophobicContact CE1-CG 3.6Å; F131-F162 HydrophobicContact CE2-CB 4.41Å; F131-F162 HydrophobicContact CG-CB 3.73Å; F131-F162 HydrophobicContact CG-CG 4.47Å; F131-F162 HydrophobicContact CZ-CB 4.21Å; F131-F162 HydrophobicContact CZ-CD1 4.06Å; F131-F162 HydrophobicContact CZ-CD2 4.36Å; F131-F162 HydrophobicContact CZ-CE1 4.49Å; F131-F162 AromaticContact CZ-CG 3.97Å; F131-F162 HydrophobicContact CZ-CG 3.97Å; F162-I169 HydrophobicContact CE2-CD1 4.37Å; F162-I169 HydrophobicContact CE2-CG1 4.43Å; F162-I169 HydrophobicContact CE2-CG2 4.42Å; F162-M172 HydrophobicContact CD2-CE 4.02Å; F162-M172 HydrophobicContact CE2-CE 3.58Å; F162-M172 HydrophobicContact CZ-CE 4.02Å; F162-F188 HydrophobicContact CE1-CE1 4.43Å; F162-F188 HydrophobicContact CE1-CE2 4.07Å; F162-F188 AromaticContact CE1-CZ 3.93Å; F162-F188 HydrophobicContact CE1-CZ 3.93Å; F162-F188 HydrophobicContact CZ-CE1 4.33Å; F162-F188 AromaticContact CZ-CZ 3.97Å; F162-F188 HydrophobicContact CZ-CZ 3.97Å
163	M	98.2	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.7	-179.2	-172.3	171.2	179.9	0	0	110.9	L33 V100 I101 L102 L118 L119 F122 V129 V130 F212	L33-M163 HydrophobicContact CD1-CE 3.59Å; V100-M163 HydrophobicContact CB-CE 4.32Å; V100-M163 HydrophobicContact CG1-CE 3.4Å; V100-M163 VanDerWaalsContact CG1-CE 3.4Å; V100-M163 HydrophobicContact CG1-CG 3.79Å; V100-M163 HydrophobicContact CG1-SD 4.47Å; I101-M163 CarbonylContact O-C 3.57Å; I101-M163 VanDerWaalsContact O-CA 3.24Å; I101-M163 WeakPolarHBondContact O-CA 3.49Å; L102-M163 HydrophobicContact CD1-CB 4.27Å; L118-M163 HydrophobicContact CD1-SD 4.42Å; L118-M163 HydrophobicContact CD2-CE 4.16Å; L118-M163 HydrophobicContact CD2-SD 3.85Å; L118-M163 HydrophobicContact CG-CE 4.31Å; L118-M163 HydrophobicContact CG-SD 3.81Å; L119-M163 HydrophobicContact CD2-CE 3.42Å; L119-M163 VanDerWaalsContact CD2-CE 3.42Å; L119-M163 HydrophobicContact CG-CE 4.19Å; F122-M163 HydrophobicContact CB-CE 4.05Å; F122-M163 HydrophobicContact CB-SD 3.77Å; F122-M163 HydrophobicContact CD1-CE 4Å; F122-M163 HydrophobicContact CD1-SD 4.4Å; F122-M163 HydrophobicContact CD2-CB 4.09Å; F122-M163 HydrophobicContact CD2-CG 3.86Å; F122-M163 HydrophobicContact CD2-SD 4.04Å; F122-M163 HydrophobicContact CE2-CB 4.28Å; F122-M163 HydrophobicContact CE2-CG 4.1Å; F122-M163 WeakPolarHBondContact CE2-O 3.49Å; F122-M163 HydrophobicContact CG-CE 3.99Å; F122-M163 HydrophobicContact CG-CG 4.12Å; F122-M163 HydrophobicContact CG-SD 3.81Å; V129-M163 CarbonylContact C-O 3.42Å; V129-M163 WeakPolarHBondContact CA-O 3.45Å; V130-M163 PolarHBondContact N-O 3.49Å; V130-M163 PolarHBondContact O-N 3.19Å; M163-F212 HydrophobicContact CB-CZ 4.34Å
164	G	97.8	Very high	96.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	168.7	179.2	0	0	0	0	0	114.6	V100 I101 K128 I169	V100-G164 WeakPolarHBondContact CA-O 3.38Å; V100-G164 WeakPolarHBondContact CG1-O 3.44Å; I101-G164 PolarHBondContact N-O 2.84Å; I101-G164 PolarHBondContact O-N 2.77Å; K128-G164 WeakPolarHBondContact O-CA 3.26Å; G164-I169 WeakPolarHBondContact O-CD1 3.43Å
165	Y	96.7	Very high	96.1	Very high	49 Å²	49	25.6 Å²	25.6	19%	0.192	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	144.6	173.3	-62.2	-85.2	0	0	0	110.7	I28 V100 F122 K128 N168 I169	I28-Y165 HydrophobicContact CD1-CE1 4.31Å; V100-Y165 HydrophobicContact CG2-CD1 3.93Å; V100-Y165 HydrophobicContact CG2-CE1 3.87Å; F122-Y165 HydrophobicContact CE1-CD2 4.37Å; F122-Y165 AromaticContact CE1-CE2 3.77Å; F122-Y165 HydrophobicContact CE1-CE2 3.77Å; F122-Y165 AromaticContact CE1-CZ 3.93Å; F122-Y165 HydrophobicContact CZ-CD2 4.15Å; F122-Y165 AromaticContact CZ-CE2 3.85Å; F122-Y165 HydrophobicContact CZ-CE2 3.85Å; K128-Y165 HydrophobicContact CB-CD2 4.09Å; K128-Y165 HydrophobicContact CD-CD2 3.54Å; K128-Y165 HydrophobicContact CD-CE2 3.6Å; K128-Y165 HydrophobicContact CG-CD2 4.43Å; K128-Y165 WeakPolarHBondContact O-CD2 3.13Å; K128-Y165 PolarHBondContact O-N 2.94Å; Y165-N168 PolarHBondContact O-N 3.08Å; Y165-N168 VanDerWaalsContact O-N 3.17Å; Y165-I169 PolarHBondContact O-N 2.9Å
166	I	95.4	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-49.4	-51.9	-179.4	-75.1	-173.6	0	0	0	113.6	M94 S96 Q99 I101 N168 I169 R170	M94-I166 HydrophobicContact CB-CD1 3.88Å; M94-I166 HydrophobicContact CG-CD1 4.32Å; M94-I166 HydrophobicContact SD-CD1 3.67Å; M94-I166 HydrophobicContact SD-CG1 4.41Å; S96-I166 WeakPolarHBondContact O-CD1 3.37Å; Q99-I166 HydrophobicContact CB-CD1 3.65Å; Q99-I166 HydrophobicContact CB-CG1 4.23Å; Q99-I166 HydrophobicContact CG-CD1 4.16Å; Q99-I166 PolarHBondContact O-N 3.3Å; Q99-I166 VanDerWaalsContact O-N 3.16Å; I101-I166 HydrophobicContact CD1-CD1 4Å; I101-I166 HydrophobicContact CD1-CG1 3.95Å; I101-I166 HydrophobicContact CG1-CD1 4.15Å; I101-I166 HydrophobicContact CG1-CG1 3.53Å; I166-N168 VanDerWaalsContact C-N 3.28Å; I166-N168 PolarHBondContact O-N 3.14Å; I166-I169 PolarHBondContact O-N 3.34Å; I166-I169 VanDerWaalsContact O-N 3.15Å; I166-R170 WeakPolarHBondContact O-CB 3.28Å; I166-R170 PolarHBondContact O-N 3.25Å
167	P	95.5	Very high	95.7	Very high	45 Å²	45	29.5 Å²	29.5	29%	0.292	16%	0.161	S	C	.	.	H	α-helix	trans	-57.2	-41.6	-178	3.5	-14.3	0	0	0	112.8	E97 R170 E171	E97-P167 WeakPolarHBondContact O-CD 3.26Å; E97-P167 WeakPolarHBondContact OE2-CB 3.24Å; E97-P167 WeakPolarHBondContact OE2-CD 3.38Å; E97-P167 VanDerWaalsContact OE2-CG 3.23Å; E97-P167 WeakPolarHBondContact OE2-CG 3.17Å; P167-R170 PolarHBondContact O-N 3.47Å; P167-E171 WeakPolarHBondContact O-CB 3.3Å; P167-E171 PolarHBondContact O-N 2.97Å
168	N	96.1	Very high	95.3	Very high	27 Å²	27	30.7 Å²	30.7	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-41.8	178	-64.6	82.2	0	0	0	112.2	K128 V129 Y165 I166 M172 L201	K128-N168 HydrophobicContact CB-CB 4.4Å; K128-N168 WeakPolarHBondContact CB-ND2 3.45Å; V129-N168 HydrophobicContact CG2-CB 3.63Å; Y165-N168 PolarHBondContact O-N 3.08Å; Y165-N168 VanDerWaalsContact O-N 3.17Å; I166-N168 VanDerWaalsContact C-N 3.28Å; I166-N168 PolarHBondContact O-N 3.14Å; N168-M172 VanDerWaalsContact O-CB 3.24Å; N168-M172 WeakPolarHBondContact O-CB 3.35Å; N168-M172 PolarHBondContact O-N 3.37Å; N168-L201 PolarHBondContact ND2-O 3.03Å; N168-L201 WeakPolarHBondContact O-CD2 3.44Å
169	I	96.8	Very high	95.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-41.1	178	-68.3	169.1	0	0	0	110.7	V91 I101 F162 G164 Y165 I166 E171 M172 V173	V91-I169 HydrophobicContact CG1-CG2 4.1Å; I101-I169 HydrophobicContact CB-CD1 3.61Å; I101-I169 HydrophobicContact CG1-CD1 4.34Å; I101-I169 HydrophobicContact CG2-CD1 4.14Å; F162-I169 HydrophobicContact CE2-CD1 4.37Å; F162-I169 HydrophobicContact CE2-CG1 4.43Å; F162-I169 HydrophobicContact CE2-CG2 4.42Å; G164-I169 WeakPolarHBondContact O-CD1 3.43Å; Y165-I169 PolarHBondContact O-N 2.9Å; I166-I169 PolarHBondContact O-N 3.34Å; I166-I169 VanDerWaalsContact O-N 3.15Å; I169-E171 PolarHBondContact O-N 2.79Å; I169-M172 HydrophobicContact CG1-CE 4.27Å; I169-M172 HydrophobicContact CG2-CE 4.39Å; I169-M172 WeakPolarHBondContact O-CB 3.35Å; I169-M172 PolarHBondContact O-N 3.42Å; I169-V173 WeakPolarHBondContact O-CG2 3.36Å; I169-V173 PolarHBondContact O-N 2.91Å
170	R	95.5	Very high	95	Very high	66 Å²	66	34.3 Å²	34.3	25%	0.249	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-47.1	177.7	-166	-172	-62.2	134.3	-9	110.9	V91 M94 E97 I166 P167 A174	V91-R170 HydrophobicContact CG2-CB 4.29Å; V91-R170 HydrophobicContact CG2-CG 4.25Å; V91-R170 PolarHBondContact O-NE 2.64Å; V91-R170 VanDerWaalsContact O-NE 3.15Å; M94-R170 PolarHBondContact O-NH2 3.13Å; E97-R170 IonicContact OE1-CZ 3.45Å; E97-R170 IonicContact OE1-NH1 2.78Å; E97-R170 PolarHBondContact OE1-NH1 3.05Å; E97-R170 IonicContact OE1-NH2 3.14Å; E97-R170 PolarHBondContact OE1-NH2 2.98Å; E97-R170 IonicContact OE2-NH1 3.5Å; E97-R170 PolarHBondContact OE2-NH1 3.2Å; I166-R170 WeakPolarHBondContact O-CB 3.28Å; I166-R170 PolarHBondContact O-N 3.25Å; P167-R170 PolarHBondContact O-N 3.47Å; R170-A174 WeakPolarHBondContact O-CB 3.38Å; R170-A174 PolarHBondContact O-N 3.39Å
171	E	95.6	Very high	94.9	Very high	113 Å²	113	36.9 Å²	36.9	53%	0.528	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-40.9	175.4	-173.6	-179	175.5	0	0	112	P167 I169 V173 A174 L201	P167-E171 WeakPolarHBondContact O-CB 3.3Å; P167-E171 PolarHBondContact O-N 2.97Å; I169-E171 PolarHBondContact O-N 2.79Å; E171-V173 PolarHBondContact O-N 2.88Å; E171-A174 WeakPolarHBondContact O-CB 3.49Å; E171-A174 PolarHBondContact O-N 2.96Å; E171-L201 HydrophobicContact CB-CD2 3.75Å; E171-L201 HydrophobicContact CG-CD2 3.73Å
172	M	96.3	Very high	94.6	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-41.5	179.1	-178.6	171.9	70.6	0	0	113.1	V129 F131 F162 N168 I169 F188 V191 L201 I203	V129-M172 HydrophobicContact CG1-CE 4.36Å; V129-M172 HydrophobicContact CG1-SD 4.23Å; F131-M172 HydrophobicContact CE2-CE 4.17Å; F131-M172 HydrophobicContact CE2-SD 3.58Å; F131-M172 VanDerWaalsContact CE2-SD 3.58Å; F131-M172 HydrophobicContact CZ-CE 3.73Å; F131-M172 HydrophobicContact CZ-SD 3.49Å; F131-M172 WeakPolarHBondContact CZ-SD 3.43Å; F162-M172 HydrophobicContact CD2-CE 4.02Å; F162-M172 HydrophobicContact CE2-CE 3.58Å; F162-M172 HydrophobicContact CZ-CE 4.02Å; N168-M172 VanDerWaalsContact O-CB 3.24Å; N168-M172 WeakPolarHBondContact O-CB 3.35Å; N168-M172 PolarHBondContact O-N 3.37Å; I169-M172 HydrophobicContact CG1-CE 4.27Å; I169-M172 HydrophobicContact CG2-CE 4.39Å; I169-M172 WeakPolarHBondContact O-CB 3.35Å; I169-M172 PolarHBondContact O-N 3.42Å; M172-F188 HydrophobicContact CE-CD1 4.31Å; M172-F188 HydrophobicContact CE-CE1 3.87Å; M172-F188 HydrophobicContact CG-CD1 4.38Å; M172-F188 HydrophobicContact CG-CE1 4.3Å; M172-F188 HydrophobicContact SD-CD1 4.22Å; M172-F188 HydrophobicContact SD-CE1 4.29Å; M172-V191 HydrophobicContact CG-CG1 4.26Å; M172-L201 HydrophobicContact CB-CD1 4Å; M172-L201 HydrophobicContact CB-CD2 4.43Å; M172-L201 HydrophobicContact CG-CD1 4.28Å; M172-I203 HydrophobicContact SD-CD1 4.26Å
173	V	97	Very high	94.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-94.7	-8.1	-178.4	-55.6	0	0	0	0	113.8	V84 L87 K88 V91 I169 E171 N175 W176 F188	V84-V173 HydrophobicContact CG1-CG1 4.41Å; L87-V173 HydrophobicContact CD2-CG1 4Å; L87-V173 HydrophobicContact CG-CG1 4.45Å; K88-V173 HydrophobicContact CB-CB 4.3Å; K88-V173 HydrophobicContact CB-CG2 3.89Å; K88-V173 WeakPolarHBondContact CD-O 3.5Å; K88-V173 HydrophobicContact CG-CG2 4.28Å; V91-V173 HydrophobicContact CG2-CG2 3.81Å; I169-V173 WeakPolarHBondContact O-CG2 3.36Å; I169-V173 PolarHBondContact O-N 2.91Å; E171-V173 PolarHBondContact O-N 2.88Å; V173-N175 PolarHBondContact O-N 3.46Å; V173-N175 VanDerWaalsContact O-N 3.13Å; V173-W176 WeakPolarHBondContact O-CB 3.17Å; V173-W176 PolarHBondContact O-N 2.84Å; V173-F188 HydrophobicContact CG1-CE1 4.06Å; V173-F188 HydrophobicContact CG1-CZ 4.3Å
174	A	93.7	Very high	94.1	Very high	49 Å²	49	41.1 Å²	41.1	41%	0.405	24%	0.239	S	C	.	.	H	α-helix	trans	-53.1	-40.3	-174.4	0	0	0	0	0	113	K88 R170 E171 W176	K88-A174 WeakPolarHBondContact CE-O 3.1Å; K88-A174 PolarHBondContact NZ-O 3.4Å; R170-A174 WeakPolarHBondContact O-CB 3.38Å; R170-A174 PolarHBondContact O-N 3.39Å; E171-A174 WeakPolarHBondContact O-CB 3.49Å; E171-A174 PolarHBondContact O-N 2.96Å; A174-W176 VanDerWaalsContact C-N 3.31Å; A174-W176 PolarHBondContact O-N 3.35Å
175	N	89.1	Confident	94	Very high	99 Å²	99	41.3 Å²	41.3	53%	0.529	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	9.8	-177.2	-65.2	-34	0	0	0	114.1	V173 T177 R197	V173-N175 PolarHBondContact O-N 3.46Å; V173-N175 VanDerWaalsContact O-N 3.13Å; N175-T177 PolarHBondContact O-N 2.97Å; N175-T177 VanDerWaalsContact O-N 3.16Å; N175-R197 PolarHBondContact ND2-NH2 3.08Å
176	W	94.1	Very high	93.9	Very high	17 Å²	17	40.9 Å²	40.9	6%	0.064	24%	0.241	C	C	.	.			trans	-64.4	116.8	171.3	175.6	-94.9	0	0	0	110.3	G81 V84 K88 V173 A174 G178 A179 D182 F187	G81-W176 VanDerWaalsContact CA-CZ2 3.44Å; V84-W176 HydrophobicContact CB-CD2 3.79Å; V84-W176 HydrophobicContact CB-CE3 3.97Å; V84-W176 HydrophobicContact CB-CG 4.2Å; V84-W176 HydrophobicContact CB-CH2 4.49Å; V84-W176 HydrophobicContact CB-CZ2 4.36Å; V84-W176 HydrophobicContact CB-CZ3 4.3Å; V84-W176 HydrophobicContact CG1-CB 3.86Å; V84-W176 HydrophobicContact CG1-CD2 3.54Å; V84-W176 HydrophobicContact CG1-CE3 3.65Å; V84-W176 HydrophobicContact CG1-CG 3.63Å; V84-W176 HydrophobicContact CG1-CZ3 4.4Å; V84-W176 HydrophobicContact CG2-CE3 4.3Å; V84-W176 HydrophobicContact CG2-CH2 4.48Å; V84-W176 HydrophobicContact CG2-CZ3 4.24Å; K88-W176 HydrophobicContact CD-CB 4.19Å; K88-W176 PolarHBondContact NZ-O 3.02Å; V173-W176 WeakPolarHBondContact O-CB 3.17Å; V173-W176 PolarHBondContact O-N 2.84Å; A174-W176 VanDerWaalsContact C-N 3.31Å; A174-W176 PolarHBondContact O-N 3.35Å; W176-G178 PolarHBondContact NE1-O 3.39Å; W176-A179 WeakPolarHBondContact CZ2-O 3.39Å; W176-D182 HydrophobicContact CH2-CB 3.76Å; W176-D182 HydrophobicContact CZ2-CB 4.33Å; W176-F187 HydrophobicContact CB-CE2 4.36Å; W176-F187 HydrophobicContact CB-CZ 4.11Å; W176-F187 HydrophobicContact CE3-CB 3.97Å; W176-F187 AromaticContact CE3-CD1 3.81Å; W176-F187 HydrophobicContact CE3-CD1 3.81Å; W176-F187 AromaticContact CE3-CD2 3.57Å; W176-F187 HydrophobicContact CE3-CD2 3.57Å; W176-F187 HydrophobicContact CE3-CE1 4.17Å; W176-F187 AromaticContact CE3-CE2 3.95Å; W176-F187 HydrophobicContact CE3-CE2 3.95Å; W176-F187 AromaticContact CE3-CG 3.5Å; W176-F187 HydrophobicContact CE3-CG 3.5Å; W176-F187 VanDerWaalsContact CE3-CG 3.5Å; W176-F187 HydrophobicContact CE3-CZ 4.24Å; W176-F187 HydrophobicContact CZ3-CB 3.57Å; W176-F187 HydrophobicContact CZ3-CD1 4.19Å; W176-F187 HydrophobicContact CZ3-CD2 4.02Å; W176-F187 AromaticContact CZ3-CG 3.67Å; W176-F187 HydrophobicContact CZ3-CG 3.67Å
177	T	91.8	Very high	93.9	Very high	135 Å²	135	42.3 Å²	42.3	83%	0.828	25%	0.247	S	C	*	.			trans	-129	10.5	173.8	61.5	0	0	0	0	111.9	N175	N175-T177 PolarHBondContact O-N 2.97Å; N175-T177 VanDerWaalsContact O-N 3.16Å
178	G	89.1	Confident	94	Very high	24 Å²	24	40.3 Å²	40.3	25%	0.247	23%	0.234	C	C	.	.			trans	-71.8	161.1	-179.5	0	0	0	0	0	112.7	W176 D182	W176-G178 PolarHBondContact NE1-O 3.39Å; G178-D182 WeakPolarHBondContact CA-OD2 3.24Å
179	A	92.9	Very high	94	Very high	51 Å²	51	39.1 Å²	39.1	42%	0.421	23%	0.227	S	C	.	.			trans	-71.4	159.7	171.8	0	0	0	0	0	111.2	W176 S181 D182	W176-A179 WeakPolarHBondContact CZ2-O 3.39Å; A179-S181 PolarHBondContact O-N 2.78Å; A179-S181 VanDerWaalsContact O-N 3.15Å; A179-D182 PolarHBondContact N-OD2 3.49Å; A179-D182 WeakPolarHBondContact O-CB 3.5Å; A179-D182 PolarHBondContact O-N 3.16Å
180	D	92.9	Very high	93.9	Very high	34 Å²	34	44.8 Å²	44.8	18%	0.182	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.8	178	-85.3	6.1	0	0	0	112.2	G71 G81 Q82 R85	G71-D180 VanDerWaalsContact CA-O 3.26Å; G71-D180 WeakPolarHBondContact CA-O 3.38Å; G81-D180 CarbonylContact C-O 3.54Å; G81-D180 VanDerWaalsContact CA-O 3.26Å; G81-D180 WeakPolarHBondContact CA-O 3.47Å; G81-D180 PolarHBondContact N-O 2.86Å; Q82-D180 HydrophobicContact CB-CB 3.94Å; Q82-D180 PolarHBondContact N-O 3.01Å; R85-D180 WeakPolarHBondContact CD-OD1 3.37Å; R85-D180 IonicContact CZ-OD1 2.68Å; R85-D180 IonicContact CZ-OD2 3.32Å; R85-D180 IonicContact NE-OD1 2.83Å; R85-D180 PolarHBondContact NE-OD1 3.41Å; R85-D180 IonicContact NE-OD2 3.52Å; R85-D180 PolarHBondContact NE-OD2 2.98Å; R85-D180 IonicContact NH2-OD1 2.63Å; R85-D180 IonicContact NH2-OD2 3.14Å; R85-D180 PolarHBondContact NH2-OD2 2.89Å
181	S	91.4	Very high	94	Very high	59 Å²	59	41.9 Å²	41.9	41%	0.413	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.2	176.9	58	0	0	0	0	115.1	G79 A179	G79-S181 WeakPolarHBondContact CA-O 3.5Å; A179-S181 PolarHBondContact O-N 2.78Å; A179-S181 VanDerWaalsContact O-N 3.15Å
182	D	92.6	Very high	94.1	Very high	71 Å²	71	37.1 Å²	37.1	38%	0.38	22%	0.219	S	C	.	.	S	Bend	trans	-70.1	157.5	178.5	-73	-19.7	0	0	0	111	G79 G80 G81 W176 G178 A179 D184	G79-D182 CarbonylContact C-O 3.54Å; G79-D182 VanDerWaalsContact C-O 3.29Å; G80-D182 PolarHBondContact N-O 3.26Å; G81-D182 VanDerWaalsContact CA-O 3.24Å; G81-D182 WeakPolarHBondContact CA-O 3.27Å; G81-D182 PolarHBondContact N-O 2.86Å; W176-D182 HydrophobicContact CH2-CB 3.76Å; W176-D182 HydrophobicContact CZ2-CB 4.33Å; G178-D182 WeakPolarHBondContact CA-OD2 3.24Å; A179-D182 PolarHBondContact N-OD2 3.49Å; A179-D182 WeakPolarHBondContact O-CB 3.5Å; A179-D182 PolarHBondContact O-N 3.16Å; D182-D184 PolarHBondContact O-N 3.49Å
183	S	92.8	Very high	94.1	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.063	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-73.1	118.8	179.5	175.3	0	0	0	0	112.3	G79 Q185 L186 F187	G79-S183 WeakPolarHBondContact O-CA 3.35Å; S183-Q185 PolarHBondContact OG-N 3.4Å; S183-L186 PolarHBondContact OG-N 3.02Å; S183-F187 PolarHBondContact O-N 3.46Å
184	D	93.9	Very high	94.1	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.043	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-46.2	170	63.7	-31.5	0	0	0	111.1	G79 K83 V84 S159 D182 L186 F187 F188	G79-D184 PolarHBondContact O-N 2.78Å; K83-D184 WeakPolarHBondContact CE-OD2 3.5Å; K83-D184 IonicContact NZ-OD2 3.57Å; K83-D184 PolarHBondContact NZ-OD2 3.19Å; V84-D184 HydrophobicContact CG2-CB 3.52Å; S159-D184 PolarHBondContact OG-OD2 2.86Å; D182-D184 PolarHBondContact O-N 3.49Å; D184-L186 PolarHBondContact O-N 3.49Å; D184-F187 WeakPolarHBondContact O-CB 3.25Å; D184-F187 PolarHBondContact O-N 3.4Å; D184-F188 HydrophobicContact CB-CE2 4.48Å; D184-F188 WeakPolarHBondContact O-CD2 3.15Å; D184-F188 PolarHBondContact O-N 2.76Å; D184-F188 VanDerWaalsContact O-N 3.09Å
185	Q	94.7	Very high	94.2	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-53.8	-53.3	174.6	176.5	78.3	-4.9	0	0	112	W138 L157 S159 S183 F187 F188 T189	W138-Q185 HydrophobicContact CE3-CB 3.93Å; W138-Q185 HydrophobicContact CE3-CG 3.74Å; W138-Q185 HydrophobicContact CZ3-CB 3.66Å; W138-Q185 HydrophobicContact CZ3-CG 4.04Å; W138-Q185 VanDerWaalsContact O-CG 3.26Å; W138-Q185 WeakPolarHBondContact O-CG 3.5Å; W138-Q185 PolarHBondContact O-NE2 2.92Å; L157-Q185 PolarHBondContact O-NE2 3.11Å; S159-Q185 PolarHBondContact OG-OE1 3.36Å; S159-Q185 VanDerWaalsContact OG-OE1 3.08Å; S183-Q185 PolarHBondContact OG-N 3.4Å; Q185-F187 PolarHBondContact O-N 2.81Å; Q185-F188 PolarHBondContact O-N 2.86Å; Q185-T189 WeakPolarHBondContact O-CB 3.26Å; Q185-T189 PolarHBondContact O-N 3.05Å; Q185-T189 PolarHBondContact O-OG1 2.79Å; Q185-T189 VanDerWaalsContact O-OG1 3.09Å
186	L	94.4	Very high	94.6	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-35.6	-176.7	-175.9	59.4	0	0	0	111.5	P139 D140 L143 S183 D184 K190	P139-L186 HydrophobicContact CG-CB 3.97Å; P139-L186 HydrophobicContact CG-CD1 4.38Å; D140-L186 HydrophobicContact CB-CD1 4.3Å; L143-L186 HydrophobicContact CD1-CD1 3.78Å; S183-L186 PolarHBondContact OG-N 3.02Å; D184-L186 PolarHBondContact O-N 3.49Å; L186-K190 HydrophobicContact CD1-CG 4.47Å; L186-K190 HydrophobicContact CG-CD 4.29Å; L186-K190 WeakPolarHBondContact O-CB 3.48Å; L186-K190 VanDerWaalsContact O-CG 3.27Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 3.48Å
187	F	95.6	Very high	94.6	Very high	31 Å²	31	45.6 Å²	45.6	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-51.9	174.9	167.4	-102.4	0	0	0	112.1	V84 W176 S183 D184 Q185 T189 K190 V191	V84-F187 HydrophobicContact CG1-CD1 4.03Å; V84-F187 HydrophobicContact CG1-CE1 3.83Å; V84-F187 HydrophobicContact CG2-CD1 4.47Å; W176-F187 HydrophobicContact CB-CE2 4.36Å; W176-F187 HydrophobicContact CB-CZ 4.11Å; W176-F187 HydrophobicContact CE3-CB 3.97Å; W176-F187 AromaticContact CE3-CD1 3.81Å; W176-F187 HydrophobicContact CE3-CD1 3.81Å; W176-F187 AromaticContact CE3-CD2 3.57Å; W176-F187 HydrophobicContact CE3-CD2 3.57Å; W176-F187 HydrophobicContact CE3-CE1 4.17Å; W176-F187 AromaticContact CE3-CE2 3.95Å; W176-F187 HydrophobicContact CE3-CE2 3.95Å; W176-F187 AromaticContact CE3-CG 3.5Å; W176-F187 HydrophobicContact CE3-CG 3.5Å; W176-F187 VanDerWaalsContact CE3-CG 3.5Å; W176-F187 HydrophobicContact CE3-CZ 4.24Å; W176-F187 HydrophobicContact CZ3-CB 3.57Å; W176-F187 HydrophobicContact CZ3-CD1 4.19Å; W176-F187 HydrophobicContact CZ3-CD2 4.02Å; W176-F187 AromaticContact CZ3-CG 3.67Å; W176-F187 HydrophobicContact CZ3-CG 3.67Å; S183-F187 PolarHBondContact O-N 3.46Å; D184-F187 WeakPolarHBondContact O-CB 3.25Å; D184-F187 PolarHBondContact O-N 3.4Å; Q185-F187 PolarHBondContact O-N 2.81Å; F187-T189 VanDerWaalsContact C-N 3.33Å; F187-T189 PolarHBondContact O-N 2.87Å; F187-K190 PolarHBondContact O-N 3.47Å; F187-V191 HydrophobicContact CE2-CG2 4.37Å; F187-V191 HydrophobicContact CZ-CG2 4.32Å; F187-V191 WeakPolarHBondContact O-CG2 3.17Å; F187-V191 PolarHBondContact O-N 2.89Å; F187-V191 VanDerWaalsContact O-N 3.09Å
188	F	96.9	Very high	94.9	Very high	2 Å²	2	42 Å²	42	1%	0.009	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-37.1	178.3	-67.6	-61	0	0	0	112.4	V84 F131 L157 F162 M172 V173 D184 Q185 K190 V191 Y192	V84-F188 HydrophobicContact CG1-CZ 4.34Å; V84-F188 HydrophobicContact CG2-CE2 3.9Å; V84-F188 HydrophobicContact CG2-CZ 4.15Å; F131-F188 HydrophobicContact CE1-CB 3.91Å; F131-F188 AromaticContact CE1-CD1 3.94Å; F131-F188 HydrophobicContact CE1-CD1 3.94Å; F131-F188 HydrophobicContact CE1-CD2 4.32Å; F131-F188 AromaticContact CE1-CG 3.81Å; F131-F188 HydrophobicContact CE1-CG 3.81Å; F131-F188 HydrophobicContact CZ-CB 4.15Å; F131-F188 AromaticContact CZ-CD1 3.67Å; F131-F188 HydrophobicContact CZ-CD1 3.67Å; F131-F188 HydrophobicContact CZ-CE1 4.29Å; F131-F188 AromaticContact CZ-CG 3.99Å; F131-F188 HydrophobicContact CZ-CG 3.99Å; L157-F188 HydrophobicContact CD1-CB 4.23Å; L157-F188 HydrophobicContact CD2-CB 3.87Å; F162-F188 HydrophobicContact CE1-CE1 4.43Å; F162-F188 HydrophobicContact CE1-CE2 4.07Å; F162-F188 AromaticContact CE1-CZ 3.93Å; F162-F188 HydrophobicContact CE1-CZ 3.93Å; F162-F188 HydrophobicContact CZ-CE1 4.33Å; F162-F188 AromaticContact CZ-CZ 3.97Å; F162-F188 HydrophobicContact CZ-CZ 3.97Å; M172-F188 HydrophobicContact CE-CD1 4.31Å; M172-F188 HydrophobicContact CE-CE1 3.87Å; M172-F188 HydrophobicContact CG-CD1 4.38Å; M172-F188 HydrophobicContact CG-CE1 4.3Å; M172-F188 HydrophobicContact SD-CD1 4.22Å; M172-F188 HydrophobicContact SD-CE1 4.29Å; V173-F188 HydrophobicContact CG1-CE1 4.06Å; V173-F188 HydrophobicContact CG1-CZ 4.3Å; D184-F188 HydrophobicContact CB-CE2 4.48Å; D184-F188 WeakPolarHBondContact O-CD2 3.15Å; D184-F188 PolarHBondContact O-N 2.76Å; D184-F188 VanDerWaalsContact O-N 3.09Å; Q185-F188 PolarHBondContact O-N 2.86Å; F188-K190 PolarHBondContact O-N 3.22Å; F188-V191 PolarHBondContact O-N 2.88Å; F188-Y192 WeakPolarHBondContact O-CB 3.49Å; F188-Y192 PolarHBondContact O-N 2.89Å
189	T	96.4	Very high	95.2	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-56.1	-49.6	171.6	-71.9	0	0	0	0	111.3	L143 Y147 Q185 F187 V191 Y192 I193	L143-T189 HydrophobicContact CD1-CG2 3.74Å; Y147-T189 HydrophobicContact CE2-CG2 3.86Å; Y147-T189 WeakPolarHBondContact OH-CB 3.4Å; Y147-T189 WeakPolarHBondContact OH-CG2 3.35Å; Y147-T189 PolarHBondContact OH-OG1 3.36Å; Q185-T189 WeakPolarHBondContact O-CB 3.26Å; Q185-T189 PolarHBondContact O-N 3.05Å; Q185-T189 PolarHBondContact O-OG1 2.79Å; Q185-T189 VanDerWaalsContact O-OG1 3.09Å; F187-T189 VanDerWaalsContact C-N 3.33Å; F187-T189 PolarHBondContact O-N 2.87Å; T189-V191 VanDerWaalsContact C-N 3.29Å; T189-V191 PolarHBondContact O-N 2.85Å; T189-Y192 PolarHBondContact O-N 2.84Å; T189-Y192 VanDerWaalsContact O-N 3.11Å; T189-I193 HydrophobicContact CG2-CD1 4.47Å; T189-I193 HydrophobicContact CG2-CG2 4.37Å; T189-I193 WeakPolarHBondContact O-CG1 3.34Å; T189-I193 WeakPolarHBondContact O-CG2 3.27Å; T189-I193 PolarHBondContact O-N 3.13Å
190	K	95.9	Very high	95.4	Very high	120 Å²	120	50.3 Å²	50.3	52%	0.522	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-36.5	177.5	-76.3	172.4	179.1	175	0	112.5	L186 F187 F188 D194	L186-K190 HydrophobicContact CD1-CG 4.47Å; L186-K190 HydrophobicContact CG-CD 4.29Å; L186-K190 WeakPolarHBondContact O-CB 3.48Å; L186-K190 VanDerWaalsContact O-CG 3.27Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 3.48Å; F187-K190 PolarHBondContact O-N 3.47Å; F188-K190 PolarHBondContact O-N 3.22Å; K190-D194 PolarHBondContact O-N 3.12Å
191	V	96.4	Very high	95.6	Very high	4 Å²	4	49 Å²	49	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-40.6	174.1	176	0	0	0	0	111.6	M172 F187 F188 T189 L201 I203	M172-V191 HydrophobicContact CG-CG1 4.26Å; F187-V191 HydrophobicContact CE2-CG2 4.37Å; F187-V191 HydrophobicContact CZ-CG2 4.32Å; F187-V191 WeakPolarHBondContact O-CG2 3.17Å; F187-V191 PolarHBondContact O-N 2.89Å; F187-V191 VanDerWaalsContact O-N 3.09Å; F188-V191 PolarHBondContact O-N 2.88Å; T189-V191 VanDerWaalsContact C-N 3.29Å; T189-V191 PolarHBondContact O-N 2.85Å; V191-L201 HydrophobicContact CG1-CD1 3.88Å; V191-I203 HydrophobicContact CG1-CD1 3.92Å
192	Y	97.5	Very high	95.9	Very high	14 Å²	14	48.9 Å²	48.9	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-74.7	-37	-176.8	178.1	-104.9	0	0	0	114.1	Y147 P148 L157 F188 T189 D194 R198 I203 L205	Y147-Y192 AromaticContact CD1-CD1 3.92Å; Y147-Y192 HydrophobicContact CD1-CD1 3.92Å; Y147-Y192 AromaticContact CD1-CE1 3.66Å; Y147-Y192 HydrophobicContact CD1-CE1 3.66Å; Y147-Y192 AromaticContact CE1-CD1 3.59Å; Y147-Y192 HydrophobicContact CE1-CD1 3.59Å; Y147-Y192 AromaticContact CE1-CE1 3.74Å; Y147-Y192 HydrophobicContact CE1-CE1 3.74Å; P148-Y192 HydrophobicContact CG-CE1 4.33Å; L157-Y192 HydrophobicContact CD1-CG 4.05Å; F188-Y192 WeakPolarHBondContact O-CB 3.49Å; F188-Y192 PolarHBondContact O-N 2.89Å; T189-Y192 PolarHBondContact O-N 2.84Å; T189-Y192 VanDerWaalsContact O-N 3.11Å; Y192-D194 VanDerWaalsContact C-N 3.3Å; Y192-R198 HydrophobicContact CD2-CG 4.12Å; Y192-R198 HydrophobicContact CE2-CG 4.15Å; Y192-R198 WeakPolarHBondContact O-CD 3.06Å; Y192-R198 PolarHBondContact O-NH1 3.22Å; Y192-I203 HydrophobicContact CD2-CB 4.26Å; Y192-I203 HydrophobicContact CD2-CG2 3.72Å; Y192-I203 HydrophobicContact CE2-CG2 4.23Å; Y192-L205 HydrophobicContact CD1-CD2 4.46Å; Y192-L205 HydrophobicContact CD2-CD2 4.16Å; Y192-L205 HydrophobicContact CE1-CD1 3.73Å; Y192-L205 HydrophobicContact CE1-CD2 4.2Å; Y192-L205 HydrophobicContact CE1-CG 4Å; Y192-L205 HydrophobicContact CE2-CD2 3.89Å; Y192-L205 HydrophobicContact CE2-CG 3.92Å; Y192-L205 HydrophobicContact CG-CD2 4.44Å
193	I	97.1	Very high	96.1	Very high	20 Å²	20	45.8 Å²	45.8	10%	0.103	24%	0.235	C	C	.	.	H	α-helix	trans	-78.7	-13.8	179.9	68.4	-178.2	0	0	0	113	L143 K146 Y147 T189 P195	L143-I193 HydrophobicContact CB-CD1 4.35Å; L143-I193 HydrophobicContact CD1-CD1 4.18Å; L143-I193 HydrophobicContact CD2-CD1 3.99Å; L143-I193 HydrophobicContact CG-CD1 4.41Å; K146-I193 HydrophobicContact CB-CB 4.06Å; K146-I193 HydrophobicContact CB-CD1 4.11Å; K146-I193 HydrophobicContact CB-CG2 4.35Å; K146-I193 HydrophobicContact CD-CD1 3.93Å; Y147-I193 HydrophobicContact CD1-CG2 4.39Å; Y147-I193 HydrophobicContact CD2-CG2 3.7Å; Y147-I193 HydrophobicContact CE1-CG2 4.32Å; Y147-I193 HydrophobicContact CE2-CG2 3.63Å; Y147-I193 HydrophobicContact CG-CG2 4.09Å; T189-I193 HydrophobicContact CG2-CD1 4.47Å; T189-I193 HydrophobicContact CG2-CG2 4.37Å; T189-I193 WeakPolarHBondContact O-CG1 3.34Å; T189-I193 WeakPolarHBondContact O-CG2 3.27Å; T189-I193 PolarHBondContact O-N 3.13Å; I193-P195 WeakPolarHBondContact O-CD 3.49Å
194	D	97.1	Very high	96.4	Very high	51 Å²	51	46.8 Å²	46.8	27%	0.273	24%	0.241	S	C	.	.			trans	-75.5	108.2	171.5	177.3	-24.7	0	0	0	109.6	K190 Y192 P196 R197 R198	K190-D194 PolarHBondContact O-N 3.12Å; Y192-D194 VanDerWaalsContact C-N 3.3Å; D194-P196 WeakPolarHBondContact OD1-CD 3.46Å; D194-R197 HydrophobicContact CB-CB 4.01Å; D194-R197 HydrophobicContact CB-CG 4.39Å; D194-R197 PolarHBondContact O-N 3.4Å; D194-R197 PolarHBondContact OD1-N 3.32Å; D194-R197 VanDerWaalsContact OD1-N 3.13Å; D194-R197 VanDerWaalsContact OD2-CD 3.25Å; D194-R197 WeakPolarHBondContact OD2-CD 3.47Å; D194-R197 WeakPolarHBondContact OD2-CG 3.42Å; D194-R197 IonicContact OD2-NE 2.87Å; D194-R198 WeakPolarHBondContact O-CB 3.4Å; D194-R198 PolarHBondContact O-N 3.12Å
195	P	96.3	Very high	96.6	Very high	78 Å²	78	46.8 Å²	46.8	51%	0.506	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-44.1	-172.1	-17.8	30.8	0	0	0	114.3	I193 K199	I193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-K199 WeakPolarHBondContact O-CB 3.35Å; P195-K199 PolarHBondContact O-N 3.32Å
196	P	96.6	Very high	96.7	Very high	97 Å²	97	47.1 Å²	47.1	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-52.9	-50	170.2	-28.9	33	0	0	0	113.6	D194 K199 A200	D194-P196 WeakPolarHBondContact OD1-CD 3.46Å; P196-K199 PolarHBondContact O-N 2.87Å; P196-A200 WeakPolarHBondContact O-CB 2.92Å; P196-A200 PolarHBondContact O-N 2.89Å
197	R	95.4	Very high	96.9	Very high	103 Å²	103	46.9 Å²	46.9	39%	0.389	24%	0.243	S	C	.	.	H	α-helix	trans	-66.5	-45.5	-179.1	-76.6	-172.6	166.4	-179.7	-3.5	112.4	N175 D194 K199 A200 L201	N175-R197 PolarHBondContact ND2-NH2 3.08Å; D194-R197 HydrophobicContact CB-CB 4.01Å; D194-R197 HydrophobicContact CB-CG 4.39Å; D194-R197 PolarHBondContact O-N 3.4Å; D194-R197 PolarHBondContact OD1-N 3.32Å; D194-R197 VanDerWaalsContact OD1-N 3.13Å; D194-R197 VanDerWaalsContact OD2-CD 3.25Å; D194-R197 WeakPolarHBondContact OD2-CD 3.47Å; D194-R197 WeakPolarHBondContact OD2-CG 3.42Å; D194-R197 IonicContact OD2-NE 2.87Å; R197-K199 VanDerWaalsContact C-N 3.26Å; R197-K199 PolarHBondContact O-N 3.28Å; R197-A200 PolarHBondContact O-N 2.85Å; R197-L201 WeakPolarHBondContact O-CB 3.07Å; R197-L201 PolarHBondContact O-N 2.79Å
198	R	96.5	Very high	96.9	Very high	60 Å²	60	48.8 Å²	48.8	23%	0.226	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-43.1	176.7	-178.3	177.2	64.6	-132.4	7.5	111.6	P148 Y192 D194 N202 I203	P148-R198 VanDerWaalsContact CG-CZ 3.43Å; Y192-R198 HydrophobicContact CD2-CG 4.12Å; Y192-R198 HydrophobicContact CE2-CG 4.15Å; Y192-R198 WeakPolarHBondContact O-CD 3.06Å; Y192-R198 PolarHBondContact O-NH1 3.22Å; D194-R198 WeakPolarHBondContact O-CB 3.4Å; D194-R198 PolarHBondContact O-N 3.12Å; R198-N202 WeakPolarHBondContact O-CA 3.36Å; R198-N202 PolarHBondContact O-N 2.72Å; R198-I203 HydrophobicContact CG-CB 4.23Å; R198-I203 PolarHBondContact O-N 2.67Å; R198-I203 VanDerWaalsContact O-N 3.13Å
199	K	96.8	Very high	97	Very high	181 Å²	181	48.7 Å²	48.7	79%	0.787	25%	0.251	S	S	*	.	H	α-helix	trans	-68.9	-44.5	179.1	-172.4	179.7	179.7	-177.3	0	112	P195 P196 R197 N202	P195-K199 WeakPolarHBondContact O-CB 3.35Å; P195-K199 PolarHBondContact O-N 3.32Å; P196-K199 PolarHBondContact O-N 2.87Å; R197-K199 VanDerWaalsContact C-N 3.26Å; R197-K199 PolarHBondContact O-N 3.28Å; K199-N202 PolarHBondContact O-N 3.3Å
200	A	96.4	Very high	97	Very high	68 Å²	68	53.8 Å²	53.8	56%	0.562	27%	0.27	S	S	*	.	H	α-helix	trans	-62.2	-46.4	179.4	0	0	0	0	0	112	P196 R197 N202	P196-A200 WeakPolarHBondContact O-CB 2.92Å; P196-A200 PolarHBondContact O-N 2.89Å; R197-A200 PolarHBondContact O-N 2.85Å; A200-N202 VanDerWaalsContact C-N 3.28Å; A200-N202 PolarHBondContact O-N 3.02Å
201	L	96.1	Very high	97.2	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-79.1	-10.6	179.7	-69.1	171	0	0	0	113.5	N168 E171 M172 V191 R197 I203	N168-L201 PolarHBondContact ND2-O 3.03Å; N168-L201 WeakPolarHBondContact O-CD2 3.44Å; E171-L201 HydrophobicContact CB-CD2 3.75Å; E171-L201 HydrophobicContact CG-CD2 3.73Å; M172-L201 HydrophobicContact CB-CD1 4Å; M172-L201 HydrophobicContact CB-CD2 4.43Å; M172-L201 HydrophobicContact CG-CD1 4.28Å; V191-L201 HydrophobicContact CG1-CD1 3.88Å; R197-L201 WeakPolarHBondContact O-CB 3.07Å; R197-L201 PolarHBondContact O-N 2.79Å; L201-I203 HydrophobicContact CB-CD1 3.75Å; L201-I203 HydrophobicContact CB-CG1 3.61Å; L201-I203 HydrophobicContact CD1-CD1 3.85Å; L201-I203 HydrophobicContact CG-CD1 4.46Å
202	N	97.7	Very high	97.3	Very high	57 Å²	57	48.1 Å²	48.1	31%	0.305	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	58.1	-175.3	-169.2	16.8	0	0	0	112.6	H127 K128 V129 R198 K199 A200	H127-N202 PolarHBondContact CD2-OD1 2.9Å; K128-N202 HydrophobicContact CB-CB 4Å; K128-N202 HydrophobicContact CG-CB 3.87Å; K128-N202 PolarHBondContact N-O 2.91Å; V129-N202 PolarHBondContact N-O 2.95Å; R198-N202 WeakPolarHBondContact O-CA 3.36Å; R198-N202 PolarHBondContact O-N 2.72Å; K199-N202 PolarHBondContact O-N 3.3Å; A200-N202 VanDerWaalsContact C-N 3.28Å; A200-N202 PolarHBondContact O-N 3.02Å
203	I	98	Very high	97.3	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.7	-178.2	-51.6	170.2	0	0	0	110.6	V129 F131 M172 V191 Y192 R198 L201	V129-I203 HydrophobicContact CB-CG1 4.09Å; V129-I203 HydrophobicContact CB-CG2 4.45Å; V129-I203 HydrophobicContact CG1-CG2 4.44Å; V129-I203 WeakPolarHBondContact O-CA 3.5Å; F131-I203 HydrophobicContact CD2-CG2 3.56Å; F131-I203 HydrophobicContact CE2-CG2 3.79Å; M172-I203 HydrophobicContact SD-CD1 4.26Å; V191-I203 HydrophobicContact CG1-CD1 3.92Å; Y192-I203 HydrophobicContact CD2-CB 4.26Å; Y192-I203 HydrophobicContact CD2-CG2 3.72Å; Y192-I203 HydrophobicContact CE2-CG2 4.23Å; R198-I203 HydrophobicContact CG-CB 4.23Å; R198-I203 PolarHBondContact O-N 2.67Å; R198-I203 VanDerWaalsContact O-N 3.13Å; L201-I203 HydrophobicContact CB-CD1 3.75Å; L201-I203 HydrophobicContact CB-CG1 3.61Å; L201-I203 HydrophobicContact CD1-CD1 3.85Å; L201-I203 HydrophobicContact CG-CD1 4.46Å
204	T	97.8	Very high	97.4	Very high	30 Å²	30	46.7 Å²	46.7	18%	0.184	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	174	166.7	-164.9	0	0	0	0	111.9	H127 V129 V130 F131	H127-T204 HydrophobicContact CB-CG2 3.54Å; H127-T204 VanDerWaalsContact CD2-CB 3.44Å; H127-T204 WeakPolarHBondContact CD2-CB 3.25Å; V129-T204 PolarHBondContact O-N 2.93Å; V130-T204 WeakPolarHBondContact CA-O 3.32Å; V130-T204 HydrophobicContact CB-CG2 4.32Å; V130-T204 HydrophobicContact CG1-CG2 4.17Å; V130-T204 HydrophobicContact CG2-CG2 3.83Å; F131-T204 PolarHBondContact N-O 3.35Å
205	L	98.3	Very high	97.4	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.7	173.5	-51.1	-176.6	0	0	0	110.2	F131 R155 L157 Y192 T207	F131-L205 HydrophobicContact CB-CD2 3.75Å; F131-L205 CarbonylContact O-C 3.22Å; F131-L205 WeakPolarHBondContact O-CA 3.46Å; R155-L205 VanDerWaalsContact O-CD1 3.26Å; R155-L205 WeakPolarHBondContact O-CD1 3.12Å; L157-L205 HydrophobicContact CB-CD2 3.91Å; L157-L205 HydrophobicContact CD1-CD2 4.12Å; L157-L205 HydrophobicContact CG-CD2 4.09Å; Y192-L205 HydrophobicContact CD1-CD2 4.46Å; Y192-L205 HydrophobicContact CD2-CD2 4.16Å; Y192-L205 HydrophobicContact CE1-CD1 3.73Å; Y192-L205 HydrophobicContact CE1-CD2 4.2Å; Y192-L205 HydrophobicContact CE1-CG 4Å; Y192-L205 HydrophobicContact CE2-CD2 3.89Å; Y192-L205 HydrophobicContact CE2-CG 3.92Å; Y192-L205 HydrophobicContact CG-CD2 4.44Å; L205-T207 HydrophobicContact CB-CG2 4.05Å; L205-T207 PolarHBondContact O-N 2.02Å
206	D	98.3	Very high	97.3	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.064	22%	0.216	C	C	.	.			trans	-78	62.1	172.8	-178.8	33.1	0	0	0	112	V130 F131 S133 K208 C209 R210 L211 F212	V130-D206 HydrophobicContact CG1-CB 4.01Å; F131-D206 PolarHBondContact O-N 3.49Å; S133-D206 PolarHBondContact OG-O 3.22Å; D206-K208 PolarHBondContact O-N 3.1Å; D206-C209 PolarHBondContact O-N 3.47Å; D206-C209 WeakPolarHBondContact OD2-CA 3.45Å; D206-R210 VanDerWaalsContact CG-N 3.3Å; D206-R210 WeakPolarHBondContact OD1-CB 3.49Å; D206-R210 PolarHBondContact OD1-N 3.1Å; D206-R210 PolarHBondContact OD2-N 2.87Å; D206-L211 WeakPolarHBondContact OD2-CA 3.44Å; D206-L211 WeakPolarHBondContact OD2-CB 3.21Å; D206-L211 PolarHBondContact OD2-N 2.83Å; D206-F212 HydrophobicContact CB-CD2 4.16Å; D206-F212 PolarHBondContact OD2-N 3.23Å
207	T	97.1	Very high	97.2	Very high	35 Å²	35	41 Å²	41	22%	0.215	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.2	-166	65.9	0	0	0	0	115.2	V150 G153 N154 L205	V150-T207 HydrophobicContact CG1-CG2 4Å; V150-T207 HydrophobicContact CG2-CG2 4.2Å; G153-T207 CarbonylContact C-O 3.52Å; G153-T207 WeakPolarHBondContact CA-O 3.5Å; N154-T207 PolarHBondContact N-O 3.26Å; N154-T207 VanDerWaalsContact O-CB 3.32Å; N154-T207 WeakPolarHBondContact O-CB 3.47Å; N154-T207 VanDerWaalsContact O-CG2 3.26Å; N154-T207 WeakPolarHBondContact O-CG2 3.44Å; L205-T207 HydrophobicContact CB-CG2 4.05Å; L205-T207 PolarHBondContact O-N 2.02Å
208	K	97.1	Very high	97.2	Very high	70 Å²	70	36.1 Å²	36.1	30%	0.304	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	19	179.3	-62.2	-164.5	-179.6	-154.5	0	113.5	E152 D206 R210 Y238 T240	E152-K208 IonicContact OE1-NZ 3.77Å; E152-K208 PolarHBondContact OE1-NZ 2.94Å; E152-K208 IonicContact OE2-NZ 2.74Å; E152-K208 PolarHBondContact OE2-NZ 3.12Å; D206-K208 PolarHBondContact O-N 3.1Å; K208-R210 VanDerWaalsContact C-N 3.3Å; K208-R210 PolarHBondContact O-N 3.08Å; K208-Y238 HydrophobicContact CB-CD1 4.5Å; K208-Y238 HydrophobicContact CB-CD2 4.46Å; K208-Y238 HydrophobicContact CB-CG 4.07Å; K208-Y238 HydrophobicContact CG-CD1 4.31Å; K208-Y238 HydrophobicContact CG-CG 4.38Å; K208-T240 VanDerWaalsContact O-CG2 3.22Å; K208-T240 WeakPolarHBondContact O-CG2 3.3Å; K208-T240 PolarHBondContact O-OG1 3.31Å; K208-T240 VanDerWaalsContact O-OG1 3.05Å
209	C	97.6	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.			trans	54.4	39.7	175.9	-53.1	0	0	0	0	113.8	N154 D206 F212 T240 P242	N154-C209 PolarHBondContact ND2-SG 3.3Å; N154-C209 VanDerWaalsContact ND2-SG 3.36Å; D206-C209 PolarHBondContact O-N 3.47Å; D206-C209 WeakPolarHBondContact OD2-CA 3.45Å; C209-F212 WeakPolarHBondContact CA-O 3.48Å; C209-F212 VanDerWaalsContact CB-O 3.27Å; C209-F212 WeakPolarHBondContact CB-O 3.4Å; C209-T240 PolarHBondContact O-OG1 3.47Å; C209-P242 WeakPolarHBondContact O-CG 3.07Å
210	R	98	Very high	97	Very high	110 Å²	110	34.9 Å²	34.9	42%	0.415	19%	0.193	S	C	.	.	S	Bend	trans	-73.7	-39	-178.5	-64.2	174.9	68.6	89.8	-4.6	111.4	K121 D206 K208 T240	K121-R210 VanDerWaalsContact CD-O 3.26Å; K121-R210 WeakPolarHBondContact CD-O 3.47Å; K121-R210 WeakPolarHBondContact CE-O 3.41Å; K121-R210 PolarHBondContact NZ-O 3.18Å; D206-R210 VanDerWaalsContact CG-N 3.3Å; D206-R210 WeakPolarHBondContact OD1-CB 3.49Å; D206-R210 PolarHBondContact OD1-N 3.1Å; D206-R210 PolarHBondContact OD2-N 2.87Å; K208-R210 VanDerWaalsContact C-N 3.3Å; K208-R210 PolarHBondContact O-N 3.08Å; R210-T240 HydrophobicContact CG-CG2 3.93Å
211	L	98.4	Very high	96.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.172	C	C	.	.	S	Bend	trans	-96.7	-52.8	179.7	-67.5	159.8	0	0	0	110.1	L118 K121 V130 D206 V243 I244	L118-L211 HydrophobicContact CD1-CD2 3.62Å; L118-L211 HydrophobicContact CG-CD2 4.29Å; L118-L211 WeakPolarHBondContact O-CD2 3.36Å; K121-L211 HydrophobicContact CB-CD2 3.47Å; K121-L211 VanDerWaalsContact CB-CD2 3.47Å; K121-L211 HydrophobicContact CB-CG 4.05Å; K121-L211 HydrophobicContact CD-CD2 4.43Å; V130-L211 HydrophobicContact CB-CD1 4.35Å; V130-L211 HydrophobicContact CG1-CD1 3.8Å; D206-L211 WeakPolarHBondContact OD2-CA 3.44Å; D206-L211 WeakPolarHBondContact OD2-CB 3.21Å; D206-L211 PolarHBondContact OD2-N 2.83Å; L211-V243 PolarHBondContact O-N 2.98Å; L211-I244 PolarHBondContact O-N 3.45Å
212	F	98.6	Very high	97	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.4	-169.6	-53.4	-82.5	0	0	0	111.1	L102 I104 S132 M163 D206 C209 I244	L102-F212 HydrophobicContact CD1-CE1 3.69Å; L102-F212 HydrophobicContact CD1-CZ 3.81Å; I104-F212 HydrophobicContact CD1-CD1 4.24Å; I104-F212 HydrophobicContact CD1-CE1 4.17Å; S132-F212 VanDerWaalsContact CB-CB 3.48Å; M163-F212 HydrophobicContact CB-CZ 4.34Å; D206-F212 HydrophobicContact CB-CD2 4.16Å; D206-F212 PolarHBondContact OD2-N 3.23Å; C209-F212 WeakPolarHBondContact CA-O 3.48Å; C209-F212 VanDerWaalsContact CB-O 3.27Å; C209-F212 WeakPolarHBondContact CB-O 3.4Å; F212-I244 HydrophobicContact CD1-CB 4.15Å; F212-I244 HydrophobicContact CD1-CD1 3.86Å; F212-I244 HydrophobicContact CD1-CG2 4.44Å; F212-I244 HydrophobicContact CE1-CD1 3.55Å; F212-I244 HydrophobicContact CZ-CD1 4.46Å
213	Q	98.5	Very high	97	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	106.2	168.6	173.8	73	61.3	0	0	109.4	L215 V222 N235 P242 I244 L245 H246	Q213-L215 HydrophobicContact CG-CD2 4.16Å; Q213-V222 VanDerWaalsContact CD-CG2 3.5Å; Q213-V222 HydrophobicContact CG-CG2 3.75Å; Q213-N235 PolarHBondContact OE1-ND2 3.2Å; Q213-P242 HydrophobicContact CB-CB 3.61Å; Q213-P242 HydrophobicContact CB-CG 3.46Å; Q213-P242 VanDerWaalsContact CB-CG 3.46Å; Q213-P242 HydrophobicContact CG-CG 4.18Å; Q213-I244 PolarHBondContact N-O 3.09Å; Q213-L245 HydrophobicContact CB-CD2 3.93Å; Q213-L245 HydrophobicContact CG-CD2 4.15Å; Q213-H246 PolarHBondContact O-N 3.25Å
214	N	98.2	Very high	97	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134	165.8	-65.7	-47.7	0	0	0	108.3	S132 S133 E134 H246 N248	S132-N214 WeakPolarHBondContact CB-ND2 3.44Å; S132-N214 PolarHBondContact OG-ND2 3.28Å; S133-N214 PolarHBondContact O-ND2 3.39Å; E134-N214 HydrophobicContact CG-CB 4.04Å; E134-N214 WeakPolarHBondContact CG-ND2 3.46Å; N214-H246 WeakPolarHBondContact CA-O 3.5Å; N214-H246 WeakPolarHBondContact OD1-CB 3.45Å; N214-H246 PolarHBondContact OD1-ND1 3.47Å; N214-N248 WeakPolarHBondContact CB-OD1 3.27Å
215	L	97.3	Very high	97	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.189	C	C	.	.			trans	-87.6	-27.9	-174.6	-66.6	-173.9	0	0	0	113.2	Q213 G217 A218 L219 V222 H246 N248 T251 Q254 M255 L258	Q213-L215 HydrophobicContact CG-CD2 4.16Å; L215-G217 PolarHBondContact O-N 3.19Å; L215-G217 VanDerWaalsContact O-N 3.17Å; L215-A218 PolarHBondContact O-N 2.96Å; L215-L219 HydrophobicContact CB-CD2 3.9Å; L215-L219 PolarHBondContact O-N 3.09Å; L215-V222 HydrophobicContact CD2-CB 4.45Å; L215-V222 HydrophobicContact CD2-CG1 4.31Å; L215-V222 HydrophobicContact CD2-CG2 4.07Å; L215-H246 PolarHBondContact N-O 2.83Å; L215-N248 PolarHBondContact N-OD1 3.26Å; L215-T251 HydrophobicContact CB-CG2 4.06Å; L215-T251 WeakPolarHBondContact CB-OG1 3.39Å; L215-Q254 HydrophobicContact CD1-CB 4.29Å; L215-M255 HydrophobicContact CD1-CB 4.2Å; L215-M255 HydrophobicContact CD1-SD 4.41Å; L215-L258 HydrophobicContact CD1-CD1 3.98Å; L215-L258 HydrophobicContact CD2-CD1 4.1Å
216	H	94.9	Very high	96.9	Very high	66 Å²	66	39.1 Å²	39.1	31%	0.306	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	118.2	-177.9	-165.2	-169.9	0	0	0	111	N248 P250 T251	H216-N248 VanDerWaalsContact CB-ND2 3.32Å; H216-N248 WeakPolarHBondContact CB-ND2 3.38Å; H216-N248 PolarHBondContact N-OD1 3.47Å; H216-P250 VanDerWaalsContact CE1-CD 3.4Å; H216-P250 WeakPolarHBondContact CE1-CD 3.44Å; H216-P250 WeakPolarHBondContact NE2-CD 3.43Å; H216-T251 HydrophobicContact CB-CG2 4.17Å
217	G	94.3	Very high	96.7	Very high	38 Å²	38	40.5 Å²	40.5	39%	0.392	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	16.6	-177	0	0	0	0	0	114.6	S135 L215	S135-G217 PolarHBondContact OG-O 3.24Å; S135-G217 VanDerWaalsContact OG-O 3.04Å; L215-G217 PolarHBondContact O-N 3.19Å; L215-G217 VanDerWaalsContact O-N 3.17Å
218	A	95.9	Very high	96.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	24%	0.236	C	C	.	.			trans	-145.1	23.7	178.1	0	0	0	0	0	113.1	L215 D220 E221 V222	L215-A218 PolarHBondContact O-N 2.96Å; A218-D220 VanDerWaalsContact C-N 3.33Å; A218-D220 PolarHBondContact O-N 3.21Å; A218-E221 HydrophobicContact CB-CB 4.48Å; A218-E221 HydrophobicContact CB-CG 4.29Å; A218-E221 WeakPolarHBondContact O-CB 3.47Å; A218-E221 PolarHBondContact O-N 2.98Å; A218-V222 WeakPolarHBondContact O-CG2 3.42Å
219	L	94.3	Very high	95.7	Very high	74 Å²	74	44.9 Å²	44.9	39%	0.387	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.5	-36	-175.8	-71.5	-178.6	0	0	0	112.8	L215 E221 V222 T251 Q254	L215-L219 HydrophobicContact CB-CD2 3.9Å; L215-L219 PolarHBondContact O-N 3.09Å; L219-E221 PolarHBondContact O-N 3.41Å; L219-V222 PolarHBondContact O-N 3.28Å; L219-T251 HydrophobicContact CD1-CG2 4.2Å; L219-T251 HydrophobicContact CD2-CG2 4.05Å; L219-T251 HydrophobicContact CG-CG2 4.24Å; L219-Q254 HydrophobicContact CD1-CG 3.92Å; L219-Q254 HydrophobicContact CD2-CB 3.77Å; L219-Q254 HydrophobicContact CD2-CG 3.7Å; L219-Q254 HydrophobicContact CG-CG 4.44Å
220	D	94.3	Very high	95.6	Very high	141 Å²	141	48 Å²	48	75%	0.754	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-72.2	-15	176.5	58.1	-39.8	0	0	0	113.3	A218	A218-D220 VanDerWaalsContact C-N 3.33Å; A218-D220 PolarHBondContact O-N 3.21Å
221	E	95.5	Very high	95.5	Very high	25 Å²	25	42.8 Å²	42.8	12%	0.117	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-87.3	-12.6	176.5	-52.7	-177.5	176.3	0	0	112.9	A218 L219 N235 V236 Q237	A218-E221 HydrophobicContact CB-CB 4.48Å; A218-E221 HydrophobicContact CB-CG 4.29Å; A218-E221 WeakPolarHBondContact O-CB 3.47Å; A218-E221 PolarHBondContact O-N 2.98Å; L219-E221 PolarHBondContact O-N 3.41Å; E221-N235 CarbonylContact O-C 3.57Å; E221-N235 VanDerWaalsContact O-CA 3.24Å; E221-N235 WeakPolarHBondContact O-CA 3.32Å; E221-N235 PolarHBondContact OE2-ND2 3.2Å; E221-V236 WeakPolarHBondContact O-CG2 3.38Å; E221-V236 PolarHBondContact O-N 3.3Å; E221-Q237 HydrophobicContact CB-CB 4.25Å; E221-Q237 HydrophobicContact CG-CB 4Å
222	V	97.6	Very high	95.5	Very high	21 Å²	21	43 Å²	43	13%	0.127	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.6	-166.9	178.4	0	0	0	0	111.7	Q213 L215 A218 L219 A233 R234 L258	Q213-V222 VanDerWaalsContact CD-CG2 3.5Å; Q213-V222 HydrophobicContact CG-CG2 3.75Å; L215-V222 HydrophobicContact CD2-CB 4.45Å; L215-V222 HydrophobicContact CD2-CG1 4.31Å; L215-V222 HydrophobicContact CD2-CG2 4.07Å; A218-V222 WeakPolarHBondContact O-CG2 3.42Å; L219-V222 PolarHBondContact O-N 3.28Å; V222-A233 HydrophobicContact CG1-CB 3.89Å; V222-R234 WeakPolarHBondContact CA-O 3.3Å; V222-L258 HydrophobicContact CG1-CD1 4.18Å
223	V	97.8	Very high	95.4	Very high	58 Å²	58	42.9 Å²	42.9	35%	0.352	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.8	175.5	-57.6	0	0	0	0	111.7	A233 R234 V236	V223-A233 CarbonylContact O-C 3.56Å; V223-A233 WeakPolarHBondContact O-CA 3.27Å; V223-R234 HydrophobicContact CG2-CB 4.14Å; V223-R234 PolarHBondContact N-O 3.32Å; V223-R234 PolarHBondContact O-N 3.33Å; V223-V236 HydrophobicContact CG1-CG1 4.2Å; V223-V236 HydrophobicContact CG2-CG1 3.64Å
224	L	97.9	Very high	95.4	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.141	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.2	169.7	-70.3	173.2	0	0	0	110.3	F226 V231 Y257 L258 Y261 V262	L224-F226 HydrophobicContact CB-CE2 4Å; L224-F226 HydrophobicContact CD1-CE2 4.44Å; L224-F226 HydrophobicContact CD1-CZ 4.42Å; L224-V231 HydrophobicContact CB-CG1 4.29Å; L224-V231 HydrophobicContact CD2-CG1 3.83Å; L224-Y257 HydrophobicContact CD1-CE1 4.15Å; L224-Y257 HydrophobicContact CD1-CE2 4.41Å; L224-Y257 HydrophobicContact CG-CE1 4.46Å; L224-L258 HydrophobicContact CD2-CD2 3.54Å; L224-L258 HydrophobicContact CG-CD2 3.97Å; L224-Y261 HydrophobicContact CD1-CD1 4.33Å; L224-Y261 HydrophobicContact CD1-CD2 3.45Å; L224-Y261 VanDerWaalsContact CD1-CD2 3.45Å; L224-Y261 HydrophobicContact CD1-CE2 3.8Å; L224-Y261 HydrophobicContact CD1-CG 3.75Å; L224-Y261 HydrophobicContact CD2-CD2 4.39Å; L224-Y261 HydrophobicContact CD2-CG 4.4Å; L224-V262 HydrophobicContact CD2-CG2 3.98Å
225	K	97.4	Very high	95.4	Very high	70 Å²	70	47.1 Å²	47.1	30%	0.304	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.5	171.5	-176.9	-176.2	177.9	-164.1	0	108.9	E227 V231 R232 R234 L241	K225-E227 HydrophobicContact CD-CG 4.38Å; K225-E227 WeakPolarHBondContact CE-OE1 3.26Å; K225-E227 HydrophobicContact CG-CG 4.3Å; K225-E227 IonicContact NZ-OE1 2.64Å; K225-E227 PolarHBondContact NZ-OE1 3.13Å; K225-V231 WeakPolarHBondContact O-CA 3.48Å; K225-R232 PolarHBondContact N-O 3.5Å; K225-R232 PolarHBondContact O-N 3.38Å; K225-R234 HydrophobicContact CB-CB 4.3Å; K225-L241 HydrophobicContact CD-CD2 3.59Å
226	F	96.3	Very high	95.4	Very high	63 Å²	63	50.8 Å²	50.8	28%	0.276	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.5	172.6	-66.7	-94.9	0	0	0	109.5	L224 V231 Y261 W266 F268	L224-F226 HydrophobicContact CB-CE2 4Å; L224-F226 HydrophobicContact CD1-CE2 4.44Å; L224-F226 HydrophobicContact CD1-CZ 4.42Å; F226-V231 HydrophobicContact CD1-CB 4.49Å; F226-V231 HydrophobicContact CD1-CG1 4.22Å; F226-V231 HydrophobicContact CD1-CG2 3.51Å; F226-V231 HydrophobicContact CE1-CG1 4.2Å; F226-V231 HydrophobicContact CE1-CG2 3.59Å; F226-V231 HydrophobicContact CG-CG1 4.4Å; F226-V231 HydrophobicContact CG-CG2 4.34Å; F226-V231 HydrophobicContact CZ-CG1 4.37Å; F226-V231 HydrophobicContact CZ-CG2 4.49Å; F226-Y261 AromaticContact CE1-CD1 4Å; F226-Y261 HydrophobicContact CE1-CD1 4Å; F226-Y261 HydrophobicContact CE1-CE1 4.45Å; F226-Y261 AromaticContact CZ-CD1 3.82Å; F226-Y261 HydrophobicContact CZ-CD1 3.82Å; F226-Y261 HydrophobicContact CZ-CE1 4.05Å; F226-W266 AromaticContact CE1-CE3 3.93Å; F226-W266 HydrophobicContact CE1-CE3 3.93Å; F226-W266 AromaticContact CE1-CZ3 3.71Å; F226-W266 HydrophobicContact CE1-CZ3 3.71Å; F226-W266 HydrophobicContact CZ-CZ3 4.29Å; F226-F268 HydrophobicContact CB-CD2 4.2Å; F226-F268 HydrophobicContact CB-CE2 4.09Å; F226-F268 AromaticContact CD1-CD2 3.59Å; F226-F268 HydrophobicContact CD1-CD2 3.59Å; F226-F268 AromaticContact CD1-CE2 3.45Å; F226-F268 HydrophobicContact CD1-CE2 3.45Å; F226-F268 VanDerWaalsContact CD1-CE2 3.45Å; F226-F268 HydrophobicContact CD1-CZ 4.47Å; F226-F268 AromaticContact CD2-CE2 3.94Å; F226-F268 HydrophobicContact CD2-CE2 3.94Å; F226-F268 HydrophobicContact CE1-CD2 4.16Å; F226-F268 AromaticContact CE1-CE2 3.8Å; F226-F268 HydrophobicContact CE1-CE2 3.8Å; F226-F268 HydrophobicContact CE1-CZ 4.43Å; F226-F268 HydrophobicContact CE2-CE2 4.25Å; F226-F268 AromaticContact CG-CD2 3.94Å; F226-F268 HydrophobicContact CG-CD2 3.94Å; F226-F268 AromaticContact CG-CE2 3.54Å; F226-F268 HydrophobicContact CG-CE2 3.54Å; F226-F268 HydrophobicContact CZ-CE2 4.19Å
227	E	93.8	Very high	95.4	Very high	41 Å²	41	53.6 Å²	53.6	19%	0.192	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	164.1	174.5	-59.2	-176.2	164.8	0	0	108	K225 G229 R230	K225-E227 HydrophobicContact CD-CG 4.38Å; K225-E227 WeakPolarHBondContact CE-OE1 3.26Å; K225-E227 HydrophobicContact CG-CG 4.3Å; K225-E227 IonicContact NZ-OE1 2.64Å; K225-E227 PolarHBondContact NZ-OE1 3.13Å; E227-G229 PolarHBondContact O-N 3.1Å; E227-R230 CarbonylContact C-O 3.54Å; E227-R230 WeakPolarHBondContact CA-O 3.17Å; E227-R230 HydrophobicContact CB-CG 4.09Å; E227-R230 PolarHBondContact N-O 2.97Å; E227-R230 PolarHBondContact O-N 2.79Å; E227-R230 VanDerWaalsContact O-N 3.17Å; E227-R230 IonicContact OE2-CZ 2.73Å; E227-R230 VanDerWaalsContact OE2-CZ 3.22Å; E227-R230 IonicContact OE2-NE 2.84Å; E227-R230 PolarHBondContact OE2-NE 3.2Å; E227-R230 IonicContact OE2-NH2 2.81Å; E227-R230 PolarHBondContact OE2-NH2 3.1Å
228	D	87.9	Confident	95.5	Very high	156 Å²	156	53.5 Å²	53.5	83%	0.834	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	114.2	178.8	-64.3	-19.5	0	0	0	110.8	R230	D228-R230 VanDerWaalsContact C-N 3.29Å; D228-R230 PolarHBondContact O-N 2.89Å
229	G	86.2	Confident	95.6	Very high	41 Å²	41	58.3 Å²	58.3	42%	0.423	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	6	176.5	0	0	0	0	0	115.9	E227	E227-G229 PolarHBondContact O-N 3.1Å
230	R	93.8	Very high	95.8	Very high	67 Å²	67	55.3 Å²	55.3	25%	0.253	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	160.3	174.7	69.1	178.5	-172.2	-178.4	-1.3	113.4	E227 D228 P263	E227-R230 CarbonylContact C-O 3.54Å; E227-R230 WeakPolarHBondContact CA-O 3.17Å; E227-R230 HydrophobicContact CB-CG 4.09Å; E227-R230 PolarHBondContact N-O 2.97Å; E227-R230 PolarHBondContact O-N 2.79Å; E227-R230 VanDerWaalsContact O-N 3.17Å; E227-R230 IonicContact OE2-CZ 2.73Å; E227-R230 VanDerWaalsContact OE2-CZ 3.22Å; E227-R230 IonicContact OE2-NE 2.84Å; E227-R230 PolarHBondContact OE2-NE 3.2Å; E227-R230 IonicContact OE2-NH2 2.81Å; E227-R230 PolarHBondContact OE2-NH2 3.1Å; D228-R230 VanDerWaalsContact C-N 3.29Å; D228-R230 PolarHBondContact O-N 2.89Å; R230-P263 CarbonylContact C-O 3.47Å; R230-P263 WeakPolarHBondContact CA-O 3.44Å; R230-P263 VanDerWaalsContact CB-O 3.25Å; R230-P263 WeakPolarHBondContact CB-O 3.4Å
231	V	97.5	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.8	171.7	-167.5	0	0	0	0	109.6	L224 K225 F226 V262 P263 W266 T267	L224-V231 HydrophobicContact CB-CG1 4.29Å; L224-V231 HydrophobicContact CD2-CG1 3.83Å; K225-V231 WeakPolarHBondContact O-CA 3.48Å; F226-V231 HydrophobicContact CD1-CB 4.49Å; F226-V231 HydrophobicContact CD1-CG1 4.22Å; F226-V231 HydrophobicContact CD1-CG2 3.51Å; F226-V231 HydrophobicContact CE1-CG1 4.2Å; F226-V231 HydrophobicContact CE1-CG2 3.59Å; F226-V231 HydrophobicContact CG-CG1 4.4Å; F226-V231 HydrophobicContact CG-CG2 4.34Å; F226-V231 HydrophobicContact CZ-CG1 4.37Å; F226-V231 HydrophobicContact CZ-CG2 4.49Å; V231-V262 HydrophobicContact CB-CG2 4.46Å; V231-V262 HydrophobicContact CG1-CG2 4.32Å; V231-P263 PolarHBondContact N-O 2.83Å; V231-P263 WeakPolarHBondContact O-CA 3.26Å; V231-W266 VanDerWaalsContact CG2-O 3.3Å; V231-W266 WeakPolarHBondContact CG2-O 3.11Å; V231-T267 HydrophobicContact CG2-CG2 4.27Å
232	R	96.8	Very high	96.1	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.019	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	168.7	174.2	-61.2	-171.6	67	170.3	3.2	110.2	A112 E117 K225 L241 P242	A112-R232 PolarHBondContact O-NE 3.33Å; E117-R232 IonicContact OE1-CZ 2.98Å; E117-R232 IonicContact OE1-NH1 3Å; E117-R232 PolarHBondContact OE1-NH1 3.14Å; E117-R232 IonicContact OE1-NH2 2.78Å; E117-R232 PolarHBondContact OE1-NH2 2.87Å; E117-R232 IonicContact OE2-CZ 3.38Å; E117-R232 IonicContact OE2-NH1 2.8Å; E117-R232 PolarHBondContact OE2-NH1 2.88Å; E117-R232 IonicContact OE2-NH2 3.22Å; E117-R232 PolarHBondContact OE2-NH2 2.95Å; K225-R232 PolarHBondContact N-O 3.5Å; K225-R232 PolarHBondContact O-N 3.38Å; R232-L241 PolarHBondContact NH2-O 3.02Å; R232-P242 PolarHBondContact NH2-O 3.2Å
233	A	97	Very high	96.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.9	161	0	0	0	0	0	109.5	V222 V223 P242 L245	V222-A233 HydrophobicContact CG1-CB 3.89Å; V223-A233 CarbonylContact O-C 3.56Å; V223-A233 WeakPolarHBondContact O-CA 3.27Å; A233-P242 WeakPolarHBondContact O-CD 3.41Å; A233-L245 HydrophobicContact CB-CD1 3.83Å; A233-L245 HydrophobicContact CB-CD2 3.41Å; A233-L245 VanDerWaalsContact CB-CD2 3.41Å; A233-L245 HydrophobicContact CB-CG 4.24Å
234	R	98	Very high	96.2	Very high	94 Å²	94	45.6 Å²	45.6	36%	0.355	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.1	168.2	-173.5	-175.8	-170.2	-176.8	1	108.4	V222 V223 K225 D239 T240 L241	V222-R234 WeakPolarHBondContact CA-O 3.3Å; V223-R234 HydrophobicContact CG2-CB 4.14Å; V223-R234 PolarHBondContact N-O 3.32Å; V223-R234 PolarHBondContact O-N 3.33Å; K225-R234 HydrophobicContact CB-CB 4.3Å; R234-D239 IonicContact CZ-OD1 3.36Å; R234-D239 IonicContact NE-OD1 3.87Å; R234-D239 PolarHBondContact NE-OD1 2.87Å; R234-D239 IonicContact NH2-OD1 3.04Å; R234-D239 PolarHBondContact NH2-OD1 3.18Å; R234-D239 IonicContact NH2-OD2 2.76Å; R234-T240 WeakPolarHBondContact CA-O 3.5Å; R234-L241 HydrophobicContact CB-CD2 3.85Å; R234-L241 HydrophobicContact CG-CD2 4.01Å
235	N	98.1	Very high	96.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.3	163.4	-175.9	-62.4	0	0	0	107.5	Q213 E221 Q237 Y238 D239 T240	Q213-N235 PolarHBondContact OE1-ND2 3.2Å; E221-N235 CarbonylContact O-C 3.57Å; E221-N235 VanDerWaalsContact O-CA 3.24Å; E221-N235 WeakPolarHBondContact O-CA 3.32Å; E221-N235 PolarHBondContact OE2-ND2 3.2Å; N235-Q237 WeakPolarHBondContact OD1-CA 3.41Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.45Å; N235-Q237 PolarHBondContact OD1-N 3.13Å; N235-Y238 WeakPolarHBondContact OD1-CD2 3.49Å; N235-Y238 PolarHBondContact OD1-N 3.47Å; N235-D239 VanDerWaalsContact O-CA 3.28Å; N235-D239 WeakPolarHBondContact O-CA 3.45Å; N235-D239 PolarHBondContact O-N 2.96Å; N235-D239 VanDerWaalsContact O-N 3.1Å; N235-T240 WeakPolarHBondContact CB-OG1 3.34Å; N235-T240 PolarHBondContact N-O 3.24Å; N235-T240 PolarHBondContact O-N 3.14Å; N235-T240 VanDerWaalsContact O-N 3.11Å
236	V	97.6	Very high	96.2	Very high	77 Å²	77	41.5 Å²	41.5	47%	0.467	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.1	-176.8	-60.8	0	0	0	0	112.7	E221 V223	E221-V236 WeakPolarHBondContact O-CG2 3.38Å; E221-V236 PolarHBondContact O-N 3.3Å; V223-V236 HydrophobicContact CG1-CG1 4.2Å; V223-V236 HydrophobicContact CG2-CG1 3.64Å
237	Q	96.4	Very high	96.3	Very high	126 Å²	126	38.5 Å²	38.5	59%	0.589	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-41.1	-180	-178.3	63.3	6.8	0	0	111.9	E221 N235	E221-Q237 HydrophobicContact CB-CB 4.25Å; E221-Q237 HydrophobicContact CG-CB 4Å; N235-Q237 WeakPolarHBondContact OD1-CA 3.41Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.45Å; N235-Q237 PolarHBondContact OD1-N 3.13Å
238	Y	96.3	Very high	96.3	Very high	36 Å²	36	37 Å²	37	14%	0.141	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	0.1	-178.9	-52.6	-52.7	0	0	0	114	K208 N235 T240	K208-Y238 HydrophobicContact CB-CD1 4.5Å; K208-Y238 HydrophobicContact CB-CD2 4.46Å; K208-Y238 HydrophobicContact CB-CG 4.07Å; K208-Y238 HydrophobicContact CG-CD1 4.31Å; K208-Y238 HydrophobicContact CG-CG 4.38Å; N235-Y238 WeakPolarHBondContact OD1-CD2 3.49Å; N235-Y238 PolarHBondContact OD1-N 3.47Å; Y238-T240 VanDerWaalsContact C-N 3.34Å; Y238-T240 WeakPolarHBondContact O-CG2 3.39Å; Y238-T240 PolarHBondContact O-N 2.9Å
239	D	97.1	Very high	96.4	Very high	102 Å²	102	31.5 Å²	31.5	55%	0.545	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	52.7	-170.7	-167.9	20.4	0	0	0	113.1	R234 N235	R234-D239 IonicContact CZ-OD1 3.36Å; R234-D239 IonicContact NE-OD1 3.87Å; R234-D239 PolarHBondContact NE-OD1 2.87Å; R234-D239 IonicContact NH2-OD1 3.04Å; R234-D239 PolarHBondContact NH2-OD1 3.18Å; R234-D239 IonicContact NH2-OD2 2.76Å; N235-D239 VanDerWaalsContact O-CA 3.28Å; N235-D239 WeakPolarHBondContact O-CA 3.45Å; N235-D239 PolarHBondContact O-N 2.96Å; N235-D239 VanDerWaalsContact O-N 3.1Å
240	T	97.8	Very high	96.7	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.067	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-117	154.1	179.9	60.2	0	0	0	0	111.8	K208 C209 R210 R234 N235 Y238 P242	K208-T240 VanDerWaalsContact O-CG2 3.22Å; K208-T240 WeakPolarHBondContact O-CG2 3.3Å; K208-T240 PolarHBondContact O-OG1 3.31Å; K208-T240 VanDerWaalsContact O-OG1 3.05Å; C209-T240 PolarHBondContact O-OG1 3.47Å; R210-T240 HydrophobicContact CG-CG2 3.93Å; R234-T240 WeakPolarHBondContact CA-O 3.5Å; N235-T240 WeakPolarHBondContact CB-OG1 3.34Å; N235-T240 PolarHBondContact N-O 3.24Å; N235-T240 PolarHBondContact O-N 3.14Å; N235-T240 VanDerWaalsContact O-N 3.11Å; Y238-T240 VanDerWaalsContact C-N 3.34Å; Y238-T240 WeakPolarHBondContact O-CG2 3.39Å; Y238-T240 PolarHBondContact O-N 2.9Å; T240-P242 WeakPolarHBondContact O-CD 3.47Å
241	L	98.1	Very high	96.7	Very high	39 Å²	39	31.2 Å²	31.2	20%	0.204	17%	0.171	C	C	.	.			trans	-111	92.7	169.6	-64.7	172.5	0	0	0	107.6	K121 K225 R232 R234	K121-L241 PolarHBondContact NZ-O 2.96Å; K225-L241 HydrophobicContact CD-CD2 3.59Å; R232-L241 PolarHBondContact NH2-O 3.02Å; R234-L241 HydrophobicContact CB-CD2 3.85Å; R234-L241 HydrophobicContact CG-CD2 4.01Å
242	P	98.3	Very high	96.6	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.187	C	C	.	.			trans	-53.6	151.2	177.5	-22.8	30.3	0	0	0	111.8	C209 Q213 R232 A233 T240 L245	C209-P242 WeakPolarHBondContact O-CG 3.07Å; Q213-P242 HydrophobicContact CB-CB 3.61Å; Q213-P242 HydrophobicContact CB-CG 3.46Å; Q213-P242 VanDerWaalsContact CB-CG 3.46Å; Q213-P242 HydrophobicContact CG-CG 4.18Å; R232-P242 PolarHBondContact NH2-O 3.2Å; A233-P242 WeakPolarHBondContact O-CD 3.41Å; T240-P242 WeakPolarHBondContact O-CD 3.47Å; P242-L245 HydrophobicContact CB-CD2 4.35Å
243	V	98.4	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-90.2	-30.7	174.7	-178.1	0	0	0	0	110.5	A112 S113 E117 L118 K121 L211	A112-V243 PolarHBondContact N-O 3.29Å; S113-V243 PolarHBondContact N-O 2.91Å; S113-V243 WeakPolarHBondContact O-CG1 3.42Å; E117-V243 HydrophobicContact CG-CG2 4.22Å; L118-V243 HydrophobicContact CB-CG1 4.04Å; L118-V243 HydrophobicContact CD1-CB 3.88Å; L118-V243 HydrophobicContact CD1-CG1 3.72Å; L118-V243 HydrophobicContact CD1-CG2 4.32Å; L118-V243 HydrophobicContact CG-CG1 4.44Å; K121-V243 HydrophobicContact CD-CG2 3.87Å; L211-V243 PolarHBondContact O-N 2.98Å
244	I	98.7	Very high	96.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132	-175.7	-59	162.6	0	0	0	108.6	L102 I104 V109 F111 L118 L211 F212 Q213	L102-I244 HydrophobicContact CD1-CD1 3.83Å; L102-I244 HydrophobicContact CD2-CD1 3.65Å; L102-I244 HydrophobicContact CG-CD1 4.4Å; I104-I244 HydrophobicContact CD1-CG2 3.72Å; I104-I244 HydrophobicContact CG1-CG2 4.1Å; V109-I244 HydrophobicContact CG1-CG2 3.62Å; F111-I244 HydrophobicContact CD1-CD1 4.42Å; F111-I244 HydrophobicContact CD1-CG1 3.74Å; F111-I244 HydrophobicContact CE1-CD1 3.94Å; F111-I244 HydrophobicContact CE1-CG1 3.74Å; L118-I244 HydrophobicContact CD1-CD1 3.92Å; L211-I244 PolarHBondContact O-N 3.45Å; F212-I244 HydrophobicContact CD1-CB 4.15Å; F212-I244 HydrophobicContact CD1-CD1 3.86Å; F212-I244 HydrophobicContact CD1-CG2 4.44Å; F212-I244 HydrophobicContact CE1-CD1 3.55Å; F212-I244 HydrophobicContact CZ-CD1 4.46Å; Q213-I244 PolarHBondContact N-O 3.09Å
245	L	98.7	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.5	173.8	-56.9	172.1	0	0	0	108.9	V109 V110 A112 Q213 A233 P242 M255 L258 V262	V109-L245 VanDerWaalsContact CA-O 3.27Å; V109-L245 WeakPolarHBondContact CA-O 3.49Å; V110-L245 PolarHBondContact N-O 3.01Å; V110-L245 PolarHBondContact O-N 2.84Å; A112-L245 HydrophobicContact CB-CD1 4.47Å; A112-L245 HydrophobicContact CB-CG 4.49Å; Q213-L245 HydrophobicContact CB-CD2 3.93Å; Q213-L245 HydrophobicContact CG-CD2 4.15Å; A233-L245 HydrophobicContact CB-CD1 3.83Å; A233-L245 HydrophobicContact CB-CD2 3.41Å; A233-L245 VanDerWaalsContact CB-CD2 3.41Å; A233-L245 HydrophobicContact CB-CG 4.24Å; P242-L245 HydrophobicContact CB-CD2 4.35Å; L245-M255 HydrophobicContact CB-CE 4.15Å; L245-M255 HydrophobicContact CB-SD 3.97Å; L245-M255 HydrophobicContact CD1-CE 4.35Å; L245-L258 HydrophobicContact CD1-CD1 4.37Å; L245-V262 HydrophobicContact CD1-CB 4.4Å; L245-V262 HydrophobicContact CD1-CG1 4.02Å; L245-V262 HydrophobicContact CD1-CG2 4.25Å
246	H	98.4	Very high	96.5	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	111.4	-178.6	179.4	-151.3	0	0	0	110.1	D105 D108 V109 Q213 N214 L215 N248	D105-H246 IonicContact OD2-NE2 3.43Å; D108-H246 IonicContact OD1-CD2 3.57Å; D108-H246 IonicContact OD1-NE2 2.89Å; D108-H246 IonicContact OD2-CD2 3.53Å; D108-H246 PolarHBondContact OD2-CD2 3.33Å; D108-H246 IonicContact OD2-NE2 2.87Å; D108-H246 PolarHBondContact OD2-NE2 2.74Å; V109-H246 HydrophobicContact CG2-CB 4.15Å; Q213-H246 PolarHBondContact O-N 3.25Å; N214-H246 WeakPolarHBondContact CA-O 3.5Å; N214-H246 WeakPolarHBondContact OD1-CB 3.45Å; N214-H246 PolarHBondContact OD1-ND1 3.47Å; L215-H246 PolarHBondContact N-O 2.83Å; H246-N248 VanDerWaalsContact CE1-CB 3.49Å; H246-N248 WeakPolarHBondContact CE1-CB 3.39Å; H246-N248 PolarHBondContact O-N 2.96Å; H246-N248 PolarHBondContact O-OD1 3.07Å
247	G	96.9	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.			trans	-77.3	51.9	175.8	0	0	0	0	0	113.1	D108 T251 K252	D108-G247 PolarHBondContact O-N 3.05Å; G247-T251 VanDerWaalsContact CA-OG1 3.28Å; G247-T251 WeakPolarHBondContact CA-OG1 3.29Å; G247-T251 PolarHBondContact O-OG1 3.43Å; G247-K252 VanDerWaalsContact O-CD 3.29Å; G247-K252 WeakPolarHBondContact O-CD 3.43Å; G247-K252 WeakPolarHBondContact O-CE 3.2Å; G247-K252 PolarHBondContact O-NZ 3.17Å
248	N	94	Very high	96.6	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.048	16%	0.161	C	C	.	.			trans	-59.2	154.2	-179	62.5	-44	0	0	0	112.9	E134 N214 L215 H216 H246 T251	E134-N248 PolarHBondContact OE2-ND2 2.75Å; N214-N248 WeakPolarHBondContact CB-OD1 3.27Å; L215-N248 PolarHBondContact N-OD1 3.26Å; H216-N248 VanDerWaalsContact CB-ND2 3.32Å; H216-N248 WeakPolarHBondContact CB-ND2 3.38Å; H216-N248 PolarHBondContact N-OD1 3.47Å; H246-N248 VanDerWaalsContact CE1-CB 3.49Å; H246-N248 WeakPolarHBondContact CE1-CB 3.39Å; H246-N248 PolarHBondContact O-N 2.96Å; H246-N248 PolarHBondContact O-OD1 3.07Å; N248-T251 PolarHBondContact N-OG1 3.2Å; N248-T251 PolarHBondContact O-N 2.91Å; N248-T251 PolarHBondContact O-OG1 3.45Å
249	G	90.7	Very high	96.7	Very high	41 Å²	41	28 Å²	28	42%	0.423	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	55.9	-137.4	179.2	0	0	0	0	0	113.3	T251 K252	G249-T251 PolarHBondContact O-N 2.74Å; G249-T251 VanDerWaalsContact O-N 3.08Å; G249-K252 WeakPolarHBondContact O-CE 3.39Å; G249-K252 PolarHBondContact O-NZ 3.23Å
250	P	91.8	Very high	96.8	Very high	97 Å²	97	24 Å²	24	63%	0.63	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-79.4	20	-174.2	35.2	-36.5	0	0	0	114.2	H216	H216-P250 VanDerWaalsContact CE1-CD 3.4Å; H216-P250 WeakPolarHBondContact CE1-CD 3.44Å; H216-P250 WeakPolarHBondContact NE2-CD 3.43Å
251	T	94.9	Very high	96.8	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.025	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-104.2	17.5	-173.7	65.3	0	0	0	0	114.5	L215 H216 L219 G247 N248 G249 L253 Q254 M255	L215-T251 HydrophobicContact CB-CG2 4.06Å; L215-T251 WeakPolarHBondContact CB-OG1 3.39Å; H216-T251 HydrophobicContact CB-CG2 4.17Å; L219-T251 HydrophobicContact CD1-CG2 4.2Å; L219-T251 HydrophobicContact CD2-CG2 4.05Å; L219-T251 HydrophobicContact CG-CG2 4.24Å; G247-T251 VanDerWaalsContact CA-OG1 3.28Å; G247-T251 WeakPolarHBondContact CA-OG1 3.29Å; G247-T251 PolarHBondContact O-OG1 3.43Å; N248-T251 PolarHBondContact N-OG1 3.2Å; N248-T251 PolarHBondContact O-N 2.91Å; N248-T251 PolarHBondContact O-OG1 3.45Å; G249-T251 PolarHBondContact O-N 2.74Å; G249-T251 VanDerWaalsContact O-N 3.08Å; T251-L253 PolarHBondContact O-N 3.41Å; T251-Q254 PolarHBondContact O-N 2.81Å; T251-M255 PolarHBondContact O-N 2.88Å
252	K	95	Very high	96.8	Very high	81 Å²	81	21.7 Å²	21.7	35%	0.352	12%	0.123	S	C	.	.	H	α-helix	trans	-56.4	-38.1	179.9	-49.6	-58.3	174.5	-149.8	0	112.2	D108 G247 G249 M255 N256	D108-K252 HydrophobicContact CB-CD 3.79Å; D108-K252 IonicContact OD2-NZ 3.13Å; D108-K252 PolarHBondContact OD2-NZ 3.01Å; G247-K252 VanDerWaalsContact O-CD 3.29Å; G247-K252 WeakPolarHBondContact O-CD 3.43Å; G247-K252 WeakPolarHBondContact O-CE 3.2Å; G247-K252 PolarHBondContact O-NZ 3.17Å; G249-K252 WeakPolarHBondContact O-CE 3.39Å; G249-K252 PolarHBondContact O-NZ 3.23Å; K252-M255 WeakPolarHBondContact O-CB 3.37Å; K252-M255 PolarHBondContact O-N 2.58Å; K252-N256 VanDerWaalsContact O-CG 3.28Å; K252-N256 PolarHBondContact O-N 3.17Å; K252-N256 PolarHBondContact O-OD1 3.29Å
253	L	96.1	Very high	96.7	Very high	48 Å²	48	21.8 Å²	21.8	25%	0.251	12%	0.124	S	C	.	.	H	α-helix	trans	-70.4	-39.4	179.8	-69.8	-176.9	0	0	0	112.6	T251 M255 N256 Y257 L427 P454	T251-L253 PolarHBondContact O-N 3.41Å; L253-M255 VanDerWaalsContact C-N 3.28Å; L253-M255 PolarHBondContact O-N 3.07Å; L253-N256 WeakPolarHBondContact O-CA 3.46Å; L253-N256 WeakPolarHBondContact O-CB 3.39Å; L253-N256 PolarHBondContact O-N 3Å; L253-N256 VanDerWaalsContact O-N 3.1Å; L253-Y257 PolarHBondContact O-N 2.97Å; L253-L427 HydrophobicContact CD1-CB 4.45Å; L253-L427 HydrophobicContact CD1-CD1 3.63Å; L253-L427 HydrophobicContact CD1-CG 4.06Å; L253-P454 HydrophobicContact CD1-CB 4.04Å; L253-P454 HydrophobicContact CD2-CB 3.95Å
254	Q	96.5	Very high	96.6	Very high	69 Å²	69	23.5 Å²	23.5	32%	0.322	13%	0.133	S	C	.	.	H	α-helix	trans	-65.7	-35.9	173.1	-70.9	76.1	16.7	0	0	110.9	L215 L219 T251 N256 Y257 L258	L215-Q254 HydrophobicContact CD1-CB 4.29Å; L219-Q254 HydrophobicContact CD1-CG 3.92Å; L219-Q254 HydrophobicContact CD2-CB 3.77Å; L219-Q254 HydrophobicContact CD2-CG 3.7Å; L219-Q254 HydrophobicContact CG-CG 4.44Å; T251-Q254 PolarHBondContact O-N 2.81Å; Q254-N256 VanDerWaalsContact C-N 3.32Å; Q254-N256 PolarHBondContact O-N 3.38Å; Q254-Y257 WeakPolarHBondContact O-CB 3.28Å; Q254-Y257 PolarHBondContact O-N 2.83Å; Q254-L258 WeakPolarHBondContact O-CG 3.32Å; Q254-L258 PolarHBondContact O-N 2.91Å
255	M	97.4	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-33.9	170.9	-169.9	66.4	-102.1	0	0	112.4	R48 V110 L215 L245 T251 K252 L253 L258 G259	R48-M255 PolarHBondContact NH1-O 3.48Å; V110-M255 HydrophobicContact CB-CE 3.68Å; V110-M255 HydrophobicContact CG2-CE 3.52Å; V110-M255 HydrophobicContact CG2-SD 4.46Å; L215-M255 HydrophobicContact CD1-CB 4.2Å; L215-M255 HydrophobicContact CD1-SD 4.41Å; L245-M255 HydrophobicContact CB-CE 4.15Å; L245-M255 HydrophobicContact CB-SD 3.97Å; L245-M255 HydrophobicContact CD1-CE 4.35Å; T251-M255 PolarHBondContact O-N 2.88Å; K252-M255 WeakPolarHBondContact O-CB 3.37Å; K252-M255 PolarHBondContact O-N 2.58Å; L253-M255 VanDerWaalsContact C-N 3.28Å; L253-M255 PolarHBondContact O-N 3.07Å; M255-L258 HydrophobicContact CE-CB 3.93Å; M255-G259 PolarHBondContact O-N 2.89Å
256	N	97.8	Very high	96.4	Very high	16 Å²	16	24.4 Å²	24.4	9%	0.086	14%	0.137	C	C	.	.	H	α-helix	trans	-63.5	-45.6	172	-68.5	-5.7	0	0	0	111.7	R48 K252 L253 Q254 G259 N260 N452 F498	R48-N256 PolarHBondContact NH1-OD1 3.49Å; K252-N256 VanDerWaalsContact O-CG 3.28Å; K252-N256 PolarHBondContact O-N 3.17Å; K252-N256 PolarHBondContact O-OD1 3.29Å; L253-N256 WeakPolarHBondContact O-CA 3.46Å; L253-N256 WeakPolarHBondContact O-CB 3.39Å; L253-N256 PolarHBondContact O-N 3Å; L253-N256 VanDerWaalsContact O-N 3.1Å; Q254-N256 VanDerWaalsContact C-N 3.32Å; Q254-N256 PolarHBondContact O-N 3.38Å; N256-G259 PolarHBondContact O-N 2.98Å; N256-N260 PolarHBondContact O-N 2.95Å; N256-N452 WeakPolarHBondContact CB-ND2 3.23Å; N256-N452 VanDerWaalsContact CG-ND2 3.26Å; N256-N452 PolarHBondContact ND2-ND2 3.2Å; N256-F498 WeakPolarHBondContact OD1-CE1 3.41Å; N256-F498 WeakPolarHBondContact OD1-CZ 3.46Å
257	Y	98.4	Very high	96.3	Very high	44 Å²	44	24 Å²	24	17%	0.173	14%	0.135	C	C	.	.	H	α-helix	trans	-56.5	-55	173.4	165.2	-112	0	0	0	111.8	L224 L253 Q254 G259 N260 Y261 E437 D438	L224-Y257 HydrophobicContact CD1-CE1 4.15Å; L224-Y257 HydrophobicContact CD1-CE2 4.41Å; L224-Y257 HydrophobicContact CG-CE1 4.46Å; L253-Y257 PolarHBondContact O-N 2.97Å; Q254-Y257 WeakPolarHBondContact O-CB 3.28Å; Q254-Y257 PolarHBondContact O-N 2.83Å; Y257-G259 VanDerWaalsContact C-N 3.26Å; Y257-G259 PolarHBondContact O-N 3.47Å; Y257-N260 WeakPolarHBondContact O-CB 3.49Å; Y257-N260 PolarHBondContact O-N 3.31Å; Y257-N260 VanDerWaalsContact O-N 3.12Å; Y257-Y261 HydrophobicContact CD2-CE2 4.13Å; Y257-Y261 AromaticContact CE2-CE2 3.76Å; Y257-Y261 HydrophobicContact CE2-CE2 3.76Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.48Å; Y257-E437 PolarHBondContact OH-OE2 2.96Å; Y257-D438 HydrophobicContact CE2-CB 4.3Å; Y257-D438 WeakPolarHBondContact CE2-OD2 3.37Å
258	L	98.4	Very high	96.2	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-36.6	179.8	-66	175.7	0	0	0	111.8	L215 V222 L224 L245 Q254 M255 N260 Y261 V262	L215-L258 HydrophobicContact CD1-CD1 3.98Å; L215-L258 HydrophobicContact CD2-CD1 4.1Å; V222-L258 HydrophobicContact CG1-CD1 4.18Å; L224-L258 HydrophobicContact CD2-CD2 3.54Å; L224-L258 HydrophobicContact CG-CD2 3.97Å; L245-L258 HydrophobicContact CD1-CD1 4.37Å; Q254-L258 WeakPolarHBondContact O-CG 3.32Å; Q254-L258 PolarHBondContact O-N 2.91Å; M255-L258 HydrophobicContact CE-CB 3.93Å; L258-N260 VanDerWaalsContact C-N 3.25Å; L258-N260 PolarHBondContact O-N 2.97Å; L258-Y261 PolarHBondContact O-N 3.33Å; L258-Y261 VanDerWaalsContact O-N 3.08Å; L258-V262 PolarHBondContact O-N 2.66Å
259	G	97.8	Very high	96.1	Very high	6 Å²	6	34.6 Å²	34.6	6%	0.062	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-18.9	178.3	0	0	0	0	0	115.1	M255 N256 Y257 Y261 S265	M255-G259 PolarHBondContact O-N 2.89Å; N256-G259 PolarHBondContact O-N 2.98Å; Y257-G259 VanDerWaalsContact C-N 3.26Å; Y257-G259 PolarHBondContact O-N 3.47Å; G259-Y261 PolarHBondContact O-N 3.47Å; G259-S265 PolarHBondContact O-OG 2.91Å; G259-S265 VanDerWaalsContact O-OG 3.1Å
260	N	98.3	Very high	96.3	Very high	17 Å²	17	36.8 Å²	36.8	9%	0.091	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16	171.2	-68.9	-32.2	0	0	0	112.4	N256 Y257 L258 S265 W266 W451 N452	N256-N260 PolarHBondContact O-N 2.95Å; Y257-N260 WeakPolarHBondContact O-CB 3.49Å; Y257-N260 PolarHBondContact O-N 3.31Å; Y257-N260 VanDerWaalsContact O-N 3.12Å; L258-N260 VanDerWaalsContact C-N 3.25Å; L258-N260 PolarHBondContact O-N 2.97Å; N260-S265 WeakPolarHBondContact O-CB 3.12Å; N260-W266 WeakPolarHBondContact O-CB 3.38Å; N260-W266 PolarHBondContact O-N 2.7Å; N260-W451 HydrophobicContact CB-CE3 4.02Å; N260-W451 HydrophobicContact CB-CZ3 4.34Å; N260-N452 PolarHBondContact ND2-N 3.48Å; N260-N452 PolarHBondContact ND2-O 2.99Å; N260-N452 VanDerWaalsContact OD1-CB 3.3Å; N260-N452 WeakPolarHBondContact OD1-CB 3.35Å; N260-N452 PolarHBondContact OD1-N 2.98Å
261	Y	98.3	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-52.2	-177.8	-60.1	-84.4	0	0	0	112.1	L224 F226 Y257 L258 G259 P263 N264 S265 W266 D438 R447 W451	L224-Y261 HydrophobicContact CD1-CD1 4.33Å; L224-Y261 HydrophobicContact CD1-CD2 3.45Å; L224-Y261 VanDerWaalsContact CD1-CD2 3.45Å; L224-Y261 HydrophobicContact CD1-CE2 3.8Å; L224-Y261 HydrophobicContact CD1-CG 3.75Å; L224-Y261 HydrophobicContact CD2-CD2 4.39Å; L224-Y261 HydrophobicContact CD2-CG 4.4Å; F226-Y261 AromaticContact CE1-CD1 4Å; F226-Y261 HydrophobicContact CE1-CD1 4Å; F226-Y261 HydrophobicContact CE1-CE1 4.45Å; F226-Y261 AromaticContact CZ-CD1 3.82Å; F226-Y261 HydrophobicContact CZ-CD1 3.82Å; F226-Y261 HydrophobicContact CZ-CE1 4.05Å; Y257-Y261 HydrophobicContact CD2-CE2 4.13Å; Y257-Y261 AromaticContact CE2-CE2 3.76Å; Y257-Y261 HydrophobicContact CE2-CE2 3.76Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.48Å; L258-Y261 PolarHBondContact O-N 3.33Å; L258-Y261 VanDerWaalsContact O-N 3.08Å; G259-Y261 PolarHBondContact O-N 3.47Å; Y261-P263 CarbonylContact O-C 3.44Å; Y261-N264 CarbonylContact O-C 3.5Å; Y261-N264 WeakPolarHBondContact O-CA 3.32Å; Y261-N264 PolarHBondContact O-N 3.3Å; Y261-N264 VanDerWaalsContact O-N 3.12Å; Y261-S265 PolarHBondContact O-N 2.95Å; Y261-W266 HydrophobicContact CD1-CB 4.18Å; Y261-W266 HydrophobicContact CD1-CD2 4.44Å; Y261-W266 AromaticContact CD1-CE3 3.76Å; Y261-W266 HydrophobicContact CD1-CE3 3.76Å; Y261-W266 HydrophobicContact CE1-CD2 4.22Å; Y261-W266 AromaticContact CE1-CE3 3.64Å; Y261-W266 HydrophobicContact CE1-CE3 3.64Å; Y261-W266 HydrophobicContact CE1-CZ3 4.26Å; Y261-D438 WeakPolarHBondContact CE2-OD2 3.44Å; Y261-D438 WeakPolarHBondContact OH-CB 3.43Å; Y261-D438 PolarHBondContact OH-OD2 3.42Å; Y261-R447 PolarHBondContact OH-NH1 2.85Å; Y261-W451 HydrophobicContact CE1-CH2 4.26Å; Y261-W451 AromaticContact CE1-CZ3 3.84Å; Y261-W451 HydrophobicContact CE1-CZ3 3.84Å; Y261-W451 HydrophobicContact CE2-CZ3 4.26Å; Y261-W451 AromaticContact CZ-CZ3 3.59Å; Y261-W451 WeakPolarHBondContact OH-CZ3 3.26Å
262	V	98.1	Very high	96.5	Very high	2 Å²	2	34 Å²	34	1%	0.012	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	135.2	-170.7	-178.1	0	0	0	0	111.5	V110 A112 L224 V231 L245 L258	V110-V262 HydrophobicContact CG1-CB 4.33Å; V110-V262 HydrophobicContact CG1-CG1 3.92Å; A112-V262 HydrophobicContact CB-CG1 3.68Å; L224-V262 HydrophobicContact CD2-CG2 3.98Å; V231-V262 HydrophobicContact CB-CG2 4.46Å; V231-V262 HydrophobicContact CG1-CG2 4.32Å; L245-V262 HydrophobicContact CD1-CB 4.4Å; L245-V262 HydrophobicContact CD1-CG1 4.02Å; L245-V262 HydrophobicContact CD1-CG2 4.25Å; L258-V262 PolarHBondContact O-N 2.66Å
263	P	96.5	Very high	96.4	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.026	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.7	-24.8	-5.7	32.6	-34	0	0	0	113.5	H55 F56 R230 V231 Y261	H55-P263 HydrophobicContact CB-CG 4.34Å; F56-P263 HydrophobicContact CE2-CB 3.54Å; F56-P263 HydrophobicContact CE2-CG 3.73Å; F56-P263 HydrophobicContact CZ-CB 3.5Å; F56-P263 HydrophobicContact CZ-CG 4.08Å; R230-P263 CarbonylContact C-O 3.47Å; R230-P263 WeakPolarHBondContact CA-O 3.44Å; R230-P263 VanDerWaalsContact CB-O 3.25Å; R230-P263 WeakPolarHBondContact CB-O 3.4Å; V231-P263 PolarHBondContact N-O 2.83Å; V231-P263 WeakPolarHBondContact O-CA 3.26Å; Y261-P263 CarbonylContact O-C 3.44Å
264	N	95.4	Very high	96.2	Very high	36 Å²	36	31 Å²	31	19%	0.193	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152.5	21.3	-177.8	72.5	-39.2	0	0	0	112.3	H55 Y261 W266 T267 T273	H55-N264 PolarHBondContact CE1-ND2 3.23Å; H55-N264 VanDerWaalsContact CE1-ND2 3.33Å; H55-N264 PolarHBondContact ND1-ND2 2.98Å; H55-N264 PolarHBondContact ND1-OD1 3.06Å; Y261-N264 CarbonylContact O-C 3.5Å; Y261-N264 WeakPolarHBondContact O-CA 3.32Å; Y261-N264 PolarHBondContact O-N 3.3Å; Y261-N264 VanDerWaalsContact O-N 3.12Å; N264-W266 PolarHBondContact O-N 2.97Å; N264-T267 HydrophobicContact CB-CG2 4.4Å; N264-T273 VanDerWaalsContact O-CG2 3.25Å; N264-T273 WeakPolarHBondContact O-CG2 3.22Å; N264-T273 PolarHBondContact O-OG1 2.83Å
265	S	95.9	Very high	96	Very high	8 Å²	8	27.8 Å²	27.8	6%	0.056	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-39.7	-179.3	-65	0	0	0	0	111.1	G259 N260 Y261 C272 T273	G259-S265 PolarHBondContact O-OG 2.91Å; G259-S265 VanDerWaalsContact O-OG 3.1Å; N260-S265 WeakPolarHBondContact O-CB 3.12Å; Y261-S265 PolarHBondContact O-N 2.95Å; S265-C272 CarbonylContact O-C 3.55Å; S265-C272 WeakPolarHBondContact O-CA 3.33Å; S265-T273 PolarHBondContact O-N 2.93Å; S265-T273 PolarHBondContact O-OG1 3.48Å
266	W	97.1	Very high	95.5	Very high	12 Å²	12	34.4 Å²	34.4	5%	0.045	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	131.4	170.7	-171.4	96.6	0	0	0	110.2	F226 V231 N260 Y261 N264 F268 G271 R447 V448 W451	F226-W266 AromaticContact CE1-CE3 3.93Å; F226-W266 HydrophobicContact CE1-CE3 3.93Å; F226-W266 AromaticContact CE1-CZ3 3.71Å; F226-W266 HydrophobicContact CE1-CZ3 3.71Å; F226-W266 HydrophobicContact CZ-CZ3 4.29Å; V231-W266 VanDerWaalsContact CG2-O 3.3Å; V231-W266 WeakPolarHBondContact CG2-O 3.11Å; N260-W266 WeakPolarHBondContact O-CB 3.38Å; N260-W266 PolarHBondContact O-N 2.7Å; Y261-W266 HydrophobicContact CD1-CB 4.18Å; Y261-W266 HydrophobicContact CD1-CD2 4.44Å; Y261-W266 AromaticContact CD1-CE3 3.76Å; Y261-W266 HydrophobicContact CD1-CE3 3.76Å; Y261-W266 HydrophobicContact CE1-CD2 4.22Å; Y261-W266 AromaticContact CE1-CE3 3.64Å; Y261-W266 HydrophobicContact CE1-CE3 3.64Å; Y261-W266 HydrophobicContact CE1-CZ3 4.26Å; N264-W266 PolarHBondContact O-N 2.97Å; W266-F268 AromaticContact CH2-CD1 3.56Å; W266-F268 HydrophobicContact CH2-CD1 3.56Å; W266-F268 AromaticContact CH2-CE1 3.64Å; W266-F268 HydrophobicContact CH2-CE1 3.64Å; W266-F268 HydrophobicContact CH2-CG 4.18Å; W266-F268 HydrophobicContact CH2-CZ 4.31Å; W266-F268 HydrophobicContact CZ3-CD1 4.02Å; W266-F268 HydrophobicContact CZ3-CD2 4.47Å; W266-F268 AromaticContact CZ3-CE1 4Å; W266-F268 HydrophobicContact CZ3-CE1 4Å; W266-F268 HydrophobicContact CZ3-CE2 4.46Å; W266-F268 HydrophobicContact CZ3-CG 4.25Å; W266-F268 HydrophobicContact CZ3-CZ 4.22Å; W266-G271 WeakPolarHBondContact CA-O 3.49Å; W266-R447 HydrophobicContact CH2-CB 4.27Å; W266-R447 HydrophobicContact CH2-CG 3.55Å; W266-R447 HydrophobicContact CZ2-CB 3.74Å; W266-R447 HydrophobicContact CZ2-CG 3.53Å; W266-R447 HydrophobicContact CZ3-CG 4.21Å; W266-V448 PolarHBondContact NE1-O 2.81Å; W266-V448 VanDerWaalsContact NE1-O 3.12Å; W266-W451 HydrophobicContact CB-CH2 4.29Å; W266-W451 HydrophobicContact CB-CZ3 4.47Å; W266-W451 AromaticContact CD1-CH2 3.59Å; W266-W451 AromaticContact CD1-CZ2 3.97Å; W266-W451 AromaticContact CD2-CH2 3.98Å; W266-W451 HydrophobicContact CD2-CH2 3.98Å; W266-W451 AromaticContact CG-CH2 3.7Å; W266-W451 HydrophobicContact CG-CH2 3.7Å; W266-W451 HydrophobicContact CG-CZ3 4.33Å; W266-W451 AromaticContact NE1-CH2 3.83Å
267	T	96.3	Very high	95.1	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.5	175	72.6	0	0	0	0	110.4	V231 N264 E269 T270 G271	V231-T267 HydrophobicContact CG2-CG2 4.27Å; N264-T267 HydrophobicContact CB-CG2 4.4Å; T267-E269 VanDerWaalsContact C-N 3.29Å; T267-E269 WeakPolarHBondContact CB-OE2 3.3Å; T267-E269 PolarHBondContact OG1-N 3.09Å; T267-E269 PolarHBondContact OG1-OE2 3.31Å; T267-T270 PolarHBondContact OG1-N 3.23Å; T267-T270 PolarHBondContact OG1-OG1 2.89Å; T267-G271 PolarHBondContact N-O 2.98Å; T267-G271 VanDerWaalsContact O-CA 3.23Å; T267-G271 WeakPolarHBondContact O-CA 3.48Å; T267-G271 PolarHBondContact O-N 2.94Å
268	F	94.5	Very high	94.7	Very high	125 Å²	125	40.8 Å²	40.8	55%	0.548	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.5	175.3	-72	-70.6	0	0	0	112.2	F226 W266	F226-F268 HydrophobicContact CB-CD2 4.2Å; F226-F268 HydrophobicContact CB-CE2 4.09Å; F226-F268 AromaticContact CD1-CD2 3.59Å; F226-F268 HydrophobicContact CD1-CD2 3.59Å; F226-F268 AromaticContact CD1-CE2 3.45Å; F226-F268 HydrophobicContact CD1-CE2 3.45Å; F226-F268 VanDerWaalsContact CD1-CE2 3.45Å; F226-F268 HydrophobicContact CD1-CZ 4.47Å; F226-F268 AromaticContact CD2-CE2 3.94Å; F226-F268 HydrophobicContact CD2-CE2 3.94Å; F226-F268 HydrophobicContact CE1-CD2 4.16Å; F226-F268 AromaticContact CE1-CE2 3.8Å; F226-F268 HydrophobicContact CE1-CE2 3.8Å; F226-F268 HydrophobicContact CE1-CZ 4.43Å; F226-F268 HydrophobicContact CE2-CE2 4.25Å; F226-F268 AromaticContact CG-CD2 3.94Å; F226-F268 HydrophobicContact CG-CD2 3.94Å; F226-F268 AromaticContact CG-CE2 3.54Å; F226-F268 HydrophobicContact CG-CE2 3.54Å; F226-F268 HydrophobicContact CZ-CE2 4.19Å; W266-F268 AromaticContact CH2-CD1 3.56Å; W266-F268 HydrophobicContact CH2-CD1 3.56Å; W266-F268 AromaticContact CH2-CE1 3.64Å; W266-F268 HydrophobicContact CH2-CE1 3.64Å; W266-F268 HydrophobicContact CH2-CG 4.18Å; W266-F268 HydrophobicContact CH2-CZ 4.31Å; W266-F268 HydrophobicContact CZ3-CD1 4.02Å; W266-F268 HydrophobicContact CZ3-CD2 4.47Å; W266-F268 AromaticContact CZ3-CE1 4Å; W266-F268 HydrophobicContact CZ3-CE1 4Å; W266-F268 HydrophobicContact CZ3-CE2 4.46Å; W266-F268 HydrophobicContact CZ3-CG 4.25Å; W266-F268 HydrophobicContact CZ3-CZ 4.22Å
269	E	93.5	Very high	94.4	Very high	108 Å²	108	43.1 Å²	43.1	51%	0.505	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-41.4	-174.6	-56.2	72.6	-153.1	0	0	112.1	T267	T267-E269 VanDerWaalsContact C-N 3.29Å; T267-E269 WeakPolarHBondContact CB-OE2 3.3Å; T267-E269 PolarHBondContact OG1-N 3.09Å; T267-E269 PolarHBondContact OG1-OE2 3.31Å
270	T	93.6	Very high	94.1	Very high	87 Å²	87	47 Å²	47	53%	0.534	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-10.2	-173.8	66.2	0	0	0	0	113.5	T267 T273	T267-T270 PolarHBondContact OG1-N 3.23Å; T267-T270 PolarHBondContact OG1-OG1 2.89Å; T270-T273 WeakPolarHBondContact OG1-CG2 3.35Å
271	G	95.4	Very high	93.6	Very high	21 Å²	21	48.7 Å²	48.7	22%	0.216	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	60.5	-147.3	-167	0	0	0	0	0	111.3	W266 T267 T273	W266-G271 WeakPolarHBondContact CA-O 3.49Å; T267-G271 PolarHBondContact N-O 2.98Å; T267-G271 VanDerWaalsContact O-CA 3.23Å; T267-G271 WeakPolarHBondContact O-CA 3.48Å; T267-G271 PolarHBondContact O-N 2.94Å; G271-T273 PolarHBondContact O-N 2.78Å
272	C	95.4	Very high	93.1	Very high	21 Å²	21	49.4 Å²	49.4	14%	0.142	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.3	-179.3	-177.2	0	0	0	0	112.6	S265 C275	S265-C272 CarbonylContact O-C 3.55Å; S265-C272 WeakPolarHBondContact O-CA 3.33Å; C272-C275 HydrophobicContact CB-CB 3.77Å; C272-C275 WeakPolarHBondContact CB-SG 3.48Å; C272-C275 WeakPolarHBondContact SG-CB 3.03Å; C272-C275 PolarHBondContact SG-N 3.17Å; C272-C275 CovalentContact SG-SG 2.02Å; C272-C275 PolarHBondContact SG-SG 2.77Å
273	T	93.4	Very high	92.5	Very high	44 Å²	44	54.9 Å²	54.9	27%	0.27	30%	0.3	S	S	.	.	S	Bend	trans	-84	-29.1	179.2	60.8	0	0	0	0	112.6	N264 S265 T270 G271 C275	N264-T273 VanDerWaalsContact O-CG2 3.25Å; N264-T273 WeakPolarHBondContact O-CG2 3.22Å; N264-T273 PolarHBondContact O-OG1 2.83Å; S265-T273 PolarHBondContact O-N 2.93Å; S265-T273 PolarHBondContact O-OG1 3.48Å; T270-T273 WeakPolarHBondContact OG1-CG2 3.35Å; G271-T273 PolarHBondContact O-N 2.78Å; T273-C275 VanDerWaalsContact C-N 3.31Å; T273-C275 PolarHBondContact O-N 2.87Å
274	V	92.6	Very high	91.7	Very high	21 Å²	21	59 Å²	59	13%	0.127	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-81.2	-12.7	-178.3	-61.5	0	0	0	0	113.2	L276 E277	V274-L276 PolarHBondContact O-N 2.91Å; V274-L276 VanDerWaalsContact O-N 3.16Å; V274-E277 PolarHBondContact O-N 3.46Å
275	C	91.9	Very high	91.4	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.02	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-68.2	-12.4	-176.2	-73.7	0	0	0	0	114.9	C272 T273 Q404 G449 L450 L504	C272-C275 HydrophobicContact CB-CB 3.77Å; C272-C275 WeakPolarHBondContact CB-SG 3.48Å; C272-C275 WeakPolarHBondContact SG-CB 3.03Å; C272-C275 PolarHBondContact SG-N 3.17Å; C272-C275 CovalentContact SG-SG 2.02Å; C272-C275 PolarHBondContact SG-SG 2.77Å; T273-C275 VanDerWaalsContact C-N 3.31Å; T273-C275 PolarHBondContact O-N 2.87Å; C275-Q404 PolarHBondContact O-OE1 3.25Å; C275-G449 VanDerWaalsContact SG-CA 3.56Å; C275-L450 HydrophobicContact CB-CD1 4.18Å; C275-L450 HydrophobicContact CB-CG 4.37Å; C275-L450 VanDerWaalsContact SG-CG 3.52Å; C275-L450 PolarHBondContact SG-N 3.21Å; C275-L504 HydrophobicContact CB-CD1 3.89Å; C275-L504 HydrophobicContact CB-CD2 4.18Å
276	L	87.8	Confident	91.1	Very high	138 Å²	138	66.3 Å²	66.3	72%	0.723	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-114.8	4.7	179.3	-58	177.7	0	0	0	112.5	V274 L279	V274-L276 PolarHBondContact O-N 2.91Å; V274-L276 VanDerWaalsContact O-N 3.16Å; L276-L279 HydrophobicContact CB-CD1 4.39Å; L276-L279 HydrophobicContact CD2-CD1 4.15Å
277	E	88.4	Confident	90.8	Very high	71 Å²	71	71 Å²	71	33%	0.332	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	147.5	177.9	-65.3	-177.8	-175.5	0	0	111.4	R51 V274 L279	R51-E277 IonicContact CZ-OE2 2.72Å; R51-E277 IonicContact NE-OE1 3.17Å; R51-E277 IonicContact NE-OE2 3.93Å; R51-E277 PolarHBondContact NE-OE2 3.5Å; R51-E277 IonicContact NH2-OE2 3.56Å; R51-E277 PolarHBondContact NH2-OE2 2.76Å; V274-E277 PolarHBondContact O-N 3.46Å; E277-L279 PolarHBondContact O-N 2.58Å
278	N	89.1	Confident	90.5	Very high	124 Å²	124	74.6 Å²	74.6	66%	0.663	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	25	171.3	-62	-29.9	0	0	0	115.7	R280 N405	N278-R280 PolarHBondContact O-N 2.98Å; N278-N405 VanDerWaalsContact O-CB 3.3Å; N278-N405 WeakPolarHBondContact O-CB 3.37Å; N278-N405 PolarHBondContact O-ND2 3.31Å
279	L	92.3	Very high	90.4	Very high	56 Å²	56	73.5 Å²	73.5	29%	0.293	40%	0.404	S	S	.	.			trans	-61.8	135.3	-178.8	-61.9	177.3	0	0	0	111.4	L276 E277 S281 K403	L276-L279 HydrophobicContact CB-CD1 4.39Å; L276-L279 HydrophobicContact CD2-CD1 4.15Å; E277-L279 PolarHBondContact O-N 2.58Å; L279-S281 PolarHBondContact O-N 3.37Å; L279-K403 CarbonylContact C-O 3.6Å; L279-K403 WeakPolarHBondContact CA-O 3.32Å; L279-K403 HydrophobicContact CB-CG 4.3Å; L279-K403 HydrophobicContact CD2-CG 4.38Å; L279-K403 WeakPolarHBondContact CD2-O 3.45Å
280	R	91.7	Very high	90.5	Very high	87 Å²	87	69.4 Å²	69.4	33%	0.328	38%	0.384	S	S	.	.			trans	-83.9	112.9	171.4	-175.1	176.1	-177.2	115.4	-4.6	109.6	N278 L282 K403 N405	N278-R280 PolarHBondContact O-N 2.98Å; R280-L282 PolarHBondContact O-N 3.46Å; R280-K403 PolarHBondContact N-O 2.86Å; R280-K403 WeakPolarHBondContact O-CG 3.1Å; R280-N405 HydrophobicContact CB-CB 4.07Å
281	S	88.2	Confident	90.7	Very high	54 Å²	54	65.3 Å²	65.3	38%	0.378	36%	0.359	S	S	.	.			trans	-68.3	120.5	174.6	175.8	0	0	0	0	110.8	L279 S283 S284	L279-S281 PolarHBondContact O-N 3.37Å; S281-S283 PolarHBondContact OG-OG 3.32Å; S281-S284 PolarHBondContact OG-N 3.44Å; S281-S284 PolarHBondContact OG-OG 3.42Å
282	L	88.3	Confident	90.8	Very high	14 Å²	14	64.6 Å²	64.6	7%	0.073	35%	0.35	C	S	.	.	S	Bend	trans	-95.7	-24.1	166.6	-65	178.9	0	0	0	112.1	R280 S284 L285 Y290 P291 K399 I402	R280-L282 PolarHBondContact O-N 3.46Å; L282-S284 PolarHBondContact O-N 2.75Å; L282-L285 HydrophobicContact CD2-CD1 4.13Å; L282-L285 PolarHBondContact O-N 3.48Å; L282-Y290 HydrophobicContact CB-CE1 4.45Å; L282-P291 HydrophobicContact CD2-CG 4.25Å; L282-K399 HydrophobicContact CD1-CB 4.07Å; L282-K399 HydrophobicContact CD1-CG 4.09Å; L282-I402 HydrophobicContact CD1-CB 4.39Å; L282-I402 HydrophobicContact CD1-CG2 4.12Å; L282-I402 HydrophobicContact CD2-CG2 4.02Å; L282-I402 HydrophobicContact CG-CG2 4.38Å
283	S	84.4	Confident	91	Very high	118 Å²	118	63.6 Å²	63.6	83%	0.825	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	-177.3	47.1	0	0	0	0	114	S281	S281-S283 PolarHBondContact OG-OG 3.32Å
284	S	81.4	Confident	91.2	Very high	89 Å²	89	61.5 Å²	61.5	62%	0.622	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-8.7	176.2	50.2	0	0	0	0	113.5	S281 L282	S281-S284 PolarHBondContact OG-N 3.44Å; S281-S284 PolarHBondContact OG-OG 3.42Å; L282-S284 PolarHBondContact O-N 2.75Å
285	L	87.7	Confident	91.5	Very high	52 Å²	52	60.5 Å²	60.5	27%	0.272	33%	0.325	S	S	.	.	S	Bend	trans	-98.8	145.5	-178.8	-60.8	177	0	0	0	109.9	L282 E289 Y290	L282-L285 HydrophobicContact CD2-CD1 4.13Å; L282-L285 PolarHBondContact O-N 3.48Å; L285-E289 HydrophobicContact CB-CB 4.3Å; L285-E289 HydrophobicContact CD2-CB 4.45Å; L285-Y290 HydrophobicContact CB-CD1 3.92Å; L285-Y290 HydrophobicContact CB-CE1 4.01Å
286	K	90.4	Very high	91.8	Very high	146 Å²	146	60.4 Å²	60.4	64%	0.635	32%	0.324	S	S	*	.			trans	-71	153.4	163.2	-64.7	176.4	-177.3	173.2	0	109	S288 E289 Y290	K286-S288 PolarHBondContact O-N 3.23Å; K286-S288 VanDerWaalsContact O-N 3.13Å; K286-E289 HydrophobicContact CB-CG 4.28Å; K286-E289 PolarHBondContact N-OE2 3.16Å; K286-E289 WeakPolarHBondContact O-CA 3.13Å; K286-E289 WeakPolarHBondContact O-CB 3.47Å; K286-E289 PolarHBondContact O-N 2.95Å; K286-Y290 VanDerWaalsContact O-CD1 3.28Å; K286-Y290 WeakPolarHBondContact O-CD1 3.47Å; K286-Y290 PolarHBondContact O-N 3.44Å
287	E	89.8	Confident	92.4	Very high	112 Å²	112	53.8 Å²	53.8	52%	0.523	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-56.9	-31.7	178.8	-72.9	-163.6	157.8	0	0	113.3	E289 Y290 P319	E287-E289 PolarHBondContact O-N 3.15Å; E287-Y290 HydrophobicContact CG-CE2 4.3Å; E287-Y290 WeakPolarHBondContact O-CB 3.44Å; E287-Y290 PolarHBondContact O-N 3.32Å; E287-P319 HydrophobicContact CB-CG 3.63Å; E287-P319 HydrophobicContact CG-CG 3.98Å
288	S	89.6	Confident	92.8	Very high	76 Å²	76	50.5 Å²	50.5	53%	0.531	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-64.7	-20.7	173.5	55.8	0	0	0	0	114.2	K286	K286-S288 PolarHBondContact O-N 3.23Å; K286-S288 VanDerWaalsContact O-N 3.13Å
289	E	92.6	Very high	93.2	Very high	101 Å²	101	44.6 Å²	44.6	47%	0.472	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-102.8	1.5	-176.9	-59.6	166.8	164.7	0	0	112	L285 K286 E287	L285-E289 HydrophobicContact CB-CB 4.3Å; L285-E289 HydrophobicContact CD2-CB 4.45Å; K286-E289 HydrophobicContact CB-CG 4.28Å; K286-E289 PolarHBondContact N-OE2 3.16Å; K286-E289 WeakPolarHBondContact O-CA 3.13Å; K286-E289 WeakPolarHBondContact O-CB 3.47Å; K286-E289 PolarHBondContact O-N 2.95Å; E287-E289 PolarHBondContact O-N 3.15Å
290	Y	96.6	Very high	93.3	Very high	22 Å²	22	45.1 Å²	45.1	9%	0.086	24%	0.243	C	C	.	.	S	Bend	trans	-61.2	147.6	177.3	-82.4	18	0	0	0	110.8	L282 L285 K286 E287 L292 Y318 P319 R322	L282-Y290 HydrophobicContact CB-CE1 4.45Å; L285-Y290 HydrophobicContact CB-CD1 3.92Å; L285-Y290 HydrophobicContact CB-CE1 4.01Å; K286-Y290 VanDerWaalsContact O-CD1 3.28Å; K286-Y290 WeakPolarHBondContact O-CD1 3.47Å; K286-Y290 PolarHBondContact O-N 3.44Å; E287-Y290 HydrophobicContact CG-CE2 4.3Å; E287-Y290 WeakPolarHBondContact O-CB 3.44Å; E287-Y290 PolarHBondContact O-N 3.32Å; Y290-L292 PolarHBondContact O-N 3.4Å; Y290-Y318 HydrophobicContact CD2-CD2 4.13Å; Y290-Y318 AromaticContact CD2-CE2 3.74Å; Y290-Y318 HydrophobicContact CD2-CE2 3.74Å; Y290-Y318 AromaticContact CD2-CZ 3.97Å; Y290-Y318 HydrophobicContact CG-CE2 4.49Å; Y290-P319 HydrophobicContact CD2-CG 3.92Å; Y290-P319 HydrophobicContact CE2-CG 4.32Å; Y290-R322 PolarHBondContact O-NE 2.97Å; Y290-R322 PolarHBondContact O-NH2 3.38Å
291	P	97.3	Very high	93.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-51.5	141.2	177.6	-28	35.7	0	0	0	112.9	L282 Y318 D381 Y382 I402	L282-P291 HydrophobicContact CD2-CG 4.25Å; P291-Y318 WeakPolarHBondContact CD-OH 3.27Å; P291-Y318 PolarHBondContact O-OH 3.28Å; P291-D381 WeakPolarHBondContact CA-OD2 3.48Å; P291-D381 HydrophobicContact CB-CB 3.64Å; P291-D381 WeakPolarHBondContact CB-OD2 3.29Å; P291-Y382 HydrophobicContact CB-CD2 3.76Å; P291-Y382 HydrophobicContact CB-CE2 3.72Å; P291-Y382 HydrophobicContact CG-CE2 4.02Å; P291-I402 HydrophobicContact CG-CG2 4.13Å
292	L	98.2	Very high	93.9	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.037	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-77.5	131.6	174.9	-170.2	150.4	0	0	0	109.2	Y290 K324 L350 E379 C380 D381 Y382	Y290-L292 PolarHBondContact O-N 3.4Å; L292-K324 HydrophobicContact CD2-CD 4.13Å; L292-K324 HydrophobicContact CD2-CG 4.28Å; L292-L350 HydrophobicContact CD1-CD2 3.47Å; L292-L350 VanDerWaalsContact CD1-CD2 3.47Å; L292-L350 HydrophobicContact CG-CD2 4.26Å; L292-E379 VanDerWaalsContact CB-O 3.3Å; L292-E379 WeakPolarHBondContact CB-O 3.45Å; L292-E379 HydrophobicContact CD1-CB 4.27Å; L292-C380 HydrophobicContact CD2-CB 4.37Å; L292-D381 PolarHBondContact N-OD2 3.43Å; L292-D381 WeakPolarHBondContact O-CB 3.44Å; L292-D381 PolarHBondContact O-N 3.35Å; L292-Y382 PolarHBondContact O-N 3.06Å
293	V	98.7	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.2	-177.6	-172.5	0	0	0	0	110.3	I295 Y318 R322 L323 K324 Y382 F384 L398 I402	V293-I295 HydrophobicContact CG1-CG1 4.26Å; V293-Y318 HydrophobicContact CG2-CE1 4.09Å; V293-R322 PolarHBondContact N-O 2.96Å; V293-L323 HydrophobicContact CB-CD2 3.76Å; V293-L323 HydrophobicContact CG1-CD2 4.46Å; V293-L323 HydrophobicContact CG2-CD2 4.3Å; V293-L323 CarbonylContact O-C 3.48Å; V293-L323 WeakPolarHBondContact O-CA 3.48Å; V293-K324 PolarHBondContact O-N 2.74Å; V293-Y382 VanDerWaalsContact CA-O 3.32Å; V293-Y382 WeakPolarHBondContact CA-O 3.04Å; V293-F384 HydrophobicContact CG1-CB 3.84Å; V293-L398 HydrophobicContact CG1-CD1 4.22Å; V293-L398 HydrophobicContact CG1-CD2 4.34Å; V293-L398 HydrophobicContact CG2-CD2 4.31Å; V293-I402 HydrophobicContact CG2-CD1 3.9Å
294	V	98.8	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.3	163.8	176.5	0	0	0	0	107.8	K324 M373 C374 Y382 F383 F384	V294-K324 CarbonylContact C-O 3.52Å; V294-K324 WeakPolarHBondContact CA-O 3.14Å; V294-K324 HydrophobicContact CG2-CB 4.17Å; V294-K324 HydrophobicContact CG2-CD 4.35Å; V294-M373 HydrophobicContact CG1-CG 4.42Å; V294-M373 HydrophobicContact CG1-SD 4.12Å; V294-C374 HydrophobicContact CB-CB 4.2Å; V294-C374 HydrophobicContact CG2-CB 4.03Å; V294-Y382 PolarHBondContact N-O 3.25Å; V294-F383 HydrophobicContact CB-CD2 4.05Å; V294-F383 HydrophobicContact CG1-CD2 3.87Å; V294-F383 HydrophobicContact CG1-CE2 3.95Å; V294-F383 CarbonylContact O-C 3.6Å; V294-F383 WeakPolarHBondContact O-CA 3.38Å; V294-F384 PolarHBondContact O-N 3.48Å
295	I	98.8	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.5	173.5	-53.3	-176.2	0	0	0	108.2	V293 I297 L313 L323 K324 L325 F326 F384 L386	V293-I295 HydrophobicContact CG1-CG1 4.26Å; I295-I297 HydrophobicContact CG2-CD1 4.35Å; I295-I297 HydrophobicContact CG2-CG1 3.95Å; I295-L313 HydrophobicContact CD1-CD1 4.19Å; I295-L323 HydrophobicContact CD1-CD1 3.88Å; I295-L323 HydrophobicContact CD1-CD2 4Å; I295-L323 HydrophobicContact CD1-CG 4.36Å; I295-L323 HydrophobicContact CG1-CD2 4.35Å; I295-K324 PolarHBondContact N-O 2.79Å; I295-L325 HydrophobicContact CB-CD2 3.95Å; I295-L325 HydrophobicContact CD1-CD2 4.29Å; I295-L325 HydrophobicContact CG1-CD2 4.42Å; I295-F326 PolarHBondContact O-N 2.76Å; I295-F384 CarbonylContact C-O 3.54Å; I295-F384 VanDerWaalsContact CA-O 3.31Å; I295-F384 WeakPolarHBondContact CA-O 3.37Å; I295-F384 HydrophobicContact CD1-CD1 4.34Å; I295-F384 HydrophobicContact CG1-CB 4.33Å; I295-F384 HydrophobicContact CG1-CD1 4.21Å; I295-F384 HydrophobicContact CG2-CD1 4.07Å; I295-L386 HydrophobicContact CG2-CB 4.36Å
296	G	98.6	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.1	171.7	0	0	0	0	0	110.6	F326 F384 L386	G296-F326 CarbonylContact C-O 3.52Å; G296-F326 WeakPolarHBondContact CA-O 3.36Å; G296-F384 PolarHBondContact N-O 2.8Å; G296-L386 PolarHBondContact O-N 2.86Å
297	I	98.8	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.8	-179.7	-59.3	166.7	0	0	0	108.3	I295 F309 F310 L313 L325 F326 I327 S328 L386	I295-I297 HydrophobicContact CG2-CD1 4.35Å; I295-I297 HydrophobicContact CG2-CG1 3.95Å; I297-F309 HydrophobicContact CD1-CE1 4.23Å; I297-F309 HydrophobicContact CG1-CE1 4.42Å; I297-F309 HydrophobicContact CG1-CZ 4.39Å; I297-F309 HydrophobicContact CG2-CE1 3.75Å; I297-F309 HydrophobicContact CG2-CZ 3.88Å; I297-F310 HydrophobicContact CD1-CE1 4.48Å; I297-L313 HydrophobicContact CD1-CD1 4.39Å; I297-L313 HydrophobicContact CD1-CD2 3.57Å; I297-L325 HydrophobicContact CD1-CD2 4.49Å; I297-F326 PolarHBondContact N-O 2.97Å; I297-I327 HydrophobicContact CB-CG1 4.34Å; I297-I327 HydrophobicContact CB-CG2 4.45Å; I297-I327 HydrophobicContact CD1-CG1 4.2Å; I297-I327 HydrophobicContact CG2-CG2 4.42Å; I297-I327 CarbonylContact O-C 3.29Å; I297-I327 WeakPolarHBondContact O-CA 3.24Å; I297-S328 PolarHBondContact O-N 3.15Å; I297-L386 WeakPolarHBondContact CA-O 3.08Å
298	F	98.4	Very high	96.9	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.9	-174.1	-56.4	-83	0	0	0	110.5	Q300 F326 A366 R367 A370 F383 N385 I388	F298-Q300 HydrophobicContact CB-CG 4.3Å; F298-F326 HydrophobicContact CE1-CD1 4.3Å; F298-F326 HydrophobicContact CE1-CE1 4.05Å; F298-A366 HydrophobicContact CD1-CB 4.31Å; F298-A366 HydrophobicContact CE1-CB 4.22Å; F298-R367 HydrophobicContact CD1-CG 3.91Å; F298-R367 HydrophobicContact CD2-CG 4.43Å; F298-R367 VanDerWaalsContact CD2-NH1 3.33Å; F298-R367 HydrophobicContact CE1-CB 4.2Å; F298-R367 HydrophobicContact CE1-CG 3.6Å; F298-R367 HydrophobicContact CE2-CG 4.16Å; F298-R367 HydrophobicContact CG-CG 4.32Å; F298-R367 HydrophobicContact CZ-CB 4.22Å; F298-R367 HydrophobicContact CZ-CG 3.74Å; F298-A370 HydrophobicContact CE1-CB 4.13Å; F298-A370 HydrophobicContact CZ-CB 3.62Å; F298-F383 HydrophobicContact CZ-CZ 4.43Å; F298-N385 WeakPolarHBondContact CE2-OD1 3.47Å; F298-I388 WeakPolarHBondContact O-CB 3.45Å; F298-I388 WeakPolarHBondContact O-CG2 3.44Å; F298-I388 PolarHBondContact O-N 2.94Å; F298-I388 VanDerWaalsContact O-N 3.1Å
299	I	97.6	Very high	97.3	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	92.6	174.7	-45.4	177.5	0	0	0	106.7	S328 N329 Q330 E331 H334 V338 I388	I299-S328 PolarHBondContact N-O 3.02Å; I299-N329 HydrophobicContact CD1-CB 4.27Å; I299-Q330 PolarHBondContact O-N 2.78Å; I299-E331 HydrophobicContact CG2-CB 4.14Å; I299-E331 HydrophobicContact CG2-CG 4.16Å; I299-H334 HydrophobicContact CD1-CB 4.47Å; I299-H334 HydrophobicContact CG2-CB 4.26Å; I299-V338 HydrophobicContact CD1-CG2 3.52Å; I299-I388 HydrophobicContact CB-CB 4.41Å; I299-I388 HydrophobicContact CB-CG2 4.31Å; I299-I388 HydrophobicContact CD1-CD1 4.21Å; I299-I388 HydrophobicContact CD1-CG1 4.41Å; I299-I388 HydrophobicContact CG1-CB 3.94Å; I299-I388 HydrophobicContact CG1-CD1 4.03Å; I299-I388 HydrophobicContact CG1-CG1 3.91Å; I299-I388 HydrophobicContact CG1-CG2 4.4Å; I299-I388 HydrophobicContact CG2-CG1 4.39Å; I299-I388 HydrophobicContact CG2-CG2 4.16Å
300	Q	93.8	Very high	97.6	Very high	67 Å²	67	14.5 Å²	14.5	31%	0.313	8%	0.078	S	C	.	.			trans	-102.8	-8.9	-173.4	-62.4	-174.8	-30.9	0	0	113.5	F298	F298-Q300 HydrophobicContact CB-CG 4.3Å
301	Q	94.8	Very high	97.6	Very high	80 Å²	80	17 Å²	17	37%	0.374	9%	0.09	S	C	.	.	S	Bend	trans	-156.9	158.8	-179.2	64.9	-173.7	-15.4	0	0	110.7	T303 E331 T513	Q301-T303 PolarHBondContact O-N 2.8Å; Q301-T303 PolarHBondContact O-OG1 3.13Å; Q301-E331 VanDerWaalsContact C-CG 3.42Å; Q301-E331 VanDerWaalsContact CA-OE1 3.31Å; Q301-E331 WeakPolarHBondContact CA-OE1 3.35Å; Q301-T513 HydrophobicContact CG-CG2 4.47Å; Q301-T513 PolarHBondContact NE2-OG1 3.42Å
302	P	96.9	Very high	97.6	Very high	39 Å²	39	18.3 Å²	18.3	25%	0.253	10%	0.095	S	C	.	.			trans	-55.4	114.8	175.1	-27.2	37.4	0	0	0	111.3	E331 Y516 T518	P302-E331 VanDerWaalsContact CD-CD 3.41Å; P302-E331 WeakPolarHBondContact CD-OE1 3.43Å; P302-E331 WeakPolarHBondContact CD-OE2 3.33Å; P302-E331 WeakPolarHBondContact CG-OE2 3.47Å; P302-Y516 VanDerWaalsContact C-CD1 3.44Å; P302-Y516 HydrophobicContact CB-CD1 3.57Å; P302-Y516 HydrophobicContact CB-CE1 4.05Å; P302-Y516 WeakPolarHBondContact O-CD1 3.28Å; P302-T518 HydrophobicContact CB-CG2 3.91Å; P302-T518 HydrophobicContact CG-CG2 4.45Å
303	T	97.8	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.			trans	-119.8	138.3	-176.1	-59.4	0	0	0	0	111.7	Q301 V306 H334 I388 E389 L511 T513	Q301-T303 PolarHBondContact O-N 2.8Å; Q301-T303 PolarHBondContact O-OG1 3.13Å; T303-V306 WeakPolarHBondContact O-CG2 3.34Å; T303-H334 PolarHBondContact N-NE2 3.01Å; T303-H334 PolarHBondContact O-CE1 3Å; T303-H334 PolarHBondContact O-NE2 3.35Å; T303-I388 HydrophobicContact CG2-CG1 4.27Å; T303-I388 HydrophobicContact CG2-CG2 3.95Å; T303-I388 VanDerWaalsContact OG1-CG2 3.26Å; T303-I388 WeakPolarHBondContact OG1-CG2 3.39Å; T303-E389 HydrophobicContact CG2-CB 4Å; T303-L511 HydrophobicContact CG2-CD1 4.23Å; T303-T513 HydrophobicContact CG2-CG2 4.09Å
304	P	97.8	Very high	97.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	155	171.7	-21.4	31.1	0	0	0	114.2	V306 L511 Y516 D524 Q527	P304-V306 VanDerWaalsContact C-N 3.31Å; P304-V306 PolarHBondContact O-N 3.31Å; P304-L511 HydrophobicContact CB-CD1 4.38Å; P304-L511 VanDerWaalsContact O-CD1 3.31Å; P304-L511 WeakPolarHBondContact O-CD1 3.32Å; P304-Y516 HydrophobicContact CB-CD2 4.11Å; P304-Y516 HydrophobicContact CB-CE2 4.07Å; P304-Y516 HydrophobicContact CG-CD2 3.52Å; P304-Y516 HydrophobicContact CG-CE2 4Å; P304-Y516 HydrophobicContact CG-CG 3.91Å; P304-D524 WeakPolarHBondContact CA-OD1 3.41Å; P304-Q527 HydrophobicContact CB-CG 4.04Å; P304-Q527 HydrophobicContact CG-CG 4.2Å; P304-Q527 VanDerWaalsContact CG-OE1 3.3Å
305	F	97.9	Very high	97.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	32.8	166.1	-47.1	-68.1	0	0	0	115.4	S307 V308 F309 L511 D524 Q527 N531 D534 W535 R538 Y539	F305-S307 VanDerWaalsContact C-N 3.34Å; F305-S307 PolarHBondContact O-N 3.27Å; F305-V308 HydrophobicContact CB-CB 4.13Å; F305-V308 HydrophobicContact CB-CG2 3.93Å; F305-V308 HydrophobicContact CD1-CG2 4.46Å; F305-V308 CarbonylContact O-C 3.35Å; F305-V308 WeakPolarHBondContact O-CA 3.26Å; F305-V308 WeakPolarHBondContact O-CB 3.5Å; F305-V308 PolarHBondContact O-N 3.39Å; F305-F309 PolarHBondContact O-N 2.83Å; F305-L511 HydrophobicContact CD2-CD1 4.11Å; F305-L511 HydrophobicContact CD2-CD2 4.12Å; F305-D524 VanDerWaalsContact CA-OD2 3.23Å; F305-D524 WeakPolarHBondContact CA-OD2 3.46Å; F305-D524 HydrophobicContact CD1-CB 3.87Å; F305-D524 VanDerWaalsContact CD1-CG 3.47Å; F305-D524 WeakPolarHBondContact CD1-OD2 3.4Å; F305-D524 HydrophobicContact CE1-CB 3.73Å; F305-D524 VanDerWaalsContact N-CG 3.31Å; F305-D524 PolarHBondContact N-OD1 3.09Å; F305-D524 PolarHBondContact N-OD2 3Å; F305-D524 VanDerWaalsContact N-OD2 3.13Å; F305-Q527 HydrophobicContact CE2-CB 3.99Å; F305-Q527 HydrophobicContact CE2-CG 4.41Å; F305-Q527 HydrophobicContact CZ-CB 3.6Å; F305-Q527 HydrophobicContact CZ-CG 4.24Å; F305-N531 HydrophobicContact CE2-CB 3.78Å; F305-D534 HydrophobicContact CD2-CB 3.73Å; F305-D534 HydrophobicContact CE2-CB 3.48Å; F305-D534 VanDerWaalsContact CE2-CB 3.48Å; F305-D534 HydrophobicContact CG-CB 4.49Å; F305-D534 HydrophobicContact CZ-CB 4.03Å; F305-W535 HydrophobicContact CZ-CB 4.15Å; F305-R538 HydrophobicContact CD1-CB 4.31Å; F305-R538 HydrophobicContact CD1-CG 4.3Å; F305-R538 HydrophobicContact CE1-CB 4.12Å; F305-R538 HydrophobicContact CE1-CG 4.31Å; F305-Y539 HydrophobicContact CE1-CE2 4.21Å
306	V	97.8	Very high	97.5	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-40.5	-179.1	168.4	0	0	0	0	112.5	T303 P304 V308 F309 F310 H334 Q337 I388	T303-V306 WeakPolarHBondContact O-CG2 3.34Å; P304-V306 VanDerWaalsContact C-N 3.31Å; P304-V306 PolarHBondContact O-N 3.31Å; V306-V308 VanDerWaalsContact C-N 3.27Å; V306-V308 PolarHBondContact O-N 2.61Å; V306-F309 VanDerWaalsContact O-CB 3.32Å; V306-F309 WeakPolarHBondContact O-CB 3.48Å; V306-F309 PolarHBondContact O-N 3.04Å; V306-F309 VanDerWaalsContact O-N 3.15Å; V306-F310 HydrophobicContact CG1-CD2 4.04Å; V306-F310 HydrophobicContact CG1-CE2 3.65Å; V306-F310 VanDerWaalsContact O-CD2 3.28Å; V306-F310 WeakPolarHBondContact O-CD2 3.39Å; V306-F310 PolarHBondContact O-N 3.34Å; V306-H334 WeakPolarHBondContact CG2-ND1 2.83Å; V306-Q337 HydrophobicContact CG1-CB 3.86Å; V306-Q337 HydrophobicContact CG1-CG 4.37Å; V306-I388 HydrophobicContact CG1-CD1 4.16Å; V306-I388 HydrophobicContact CG2-CD1 4.13Å; V306-I388 HydrophobicContact CG2-CG1 3.79Å
307	S	95.6	Very high	97.4	Very high	49 Å²	49	30.4 Å²	30.4	34%	0.343	15%	0.151	S	C	.	.	H	α-helix	trans	-60.4	-39.8	174.3	-55.9	0	0	0	0	111.7	F305 F309 F310 E311 Q337	F305-S307 VanDerWaalsContact C-N 3.34Å; F305-S307 PolarHBondContact O-N 3.27Å; S307-F309 VanDerWaalsContact C-N 3.32Å; S307-F309 PolarHBondContact O-N 2.76Å; S307-F310 PolarHBondContact O-N 2.75Å; S307-E311 WeakPolarHBondContact O-CG 3.46Å; S307-E311 PolarHBondContact O-N 3.48Å; S307-Q337 WeakPolarHBondContact OG-CG 3.16Å
308	V	97.5	Very high	97.3	Very high	21 Å²	21	30.9 Å²	30.9	13%	0.127	15%	0.153	C	C	.	.	H	α-helix	trans	-70	-31.1	178.3	-160.9	0	0	0	0	111.4	F305 V306 E311 R312	F305-V308 HydrophobicContact CB-CB 4.13Å; F305-V308 HydrophobicContact CB-CG2 3.93Å; F305-V308 HydrophobicContact CD1-CG2 4.46Å; F305-V308 CarbonylContact O-C 3.35Å; F305-V308 WeakPolarHBondContact O-CA 3.26Å; F305-V308 WeakPolarHBondContact O-CB 3.5Å; F305-V308 PolarHBondContact O-N 3.39Å; V306-V308 VanDerWaalsContact C-N 3.27Å; V306-V308 PolarHBondContact O-N 2.61Å; V308-E311 PolarHBondContact O-N 2.99Å; V308-R312 WeakPolarHBondContact O-CG 3.49Å; V308-R312 PolarHBondContact O-N 3.39Å
309	F	98.6	Very high	97.3	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-58.4	-48.5	170.3	172.4	-82.9	0	0	0	111.2	I297 F305 V306 S307 E311 R312 L313 L386 I388 V390	I297-F309 HydrophobicContact CD1-CE1 4.23Å; I297-F309 HydrophobicContact CG1-CE1 4.42Å; I297-F309 HydrophobicContact CG1-CZ 4.39Å; I297-F309 HydrophobicContact CG2-CE1 3.75Å; I297-F309 HydrophobicContact CG2-CZ 3.88Å; F305-F309 PolarHBondContact O-N 2.83Å; V306-F309 VanDerWaalsContact O-CB 3.32Å; V306-F309 WeakPolarHBondContact O-CB 3.48Å; V306-F309 PolarHBondContact O-N 3.04Å; V306-F309 VanDerWaalsContact O-N 3.15Å; S307-F309 VanDerWaalsContact C-N 3.32Å; S307-F309 PolarHBondContact O-N 2.76Å; F309-E311 PolarHBondContact O-N 3.44Å; F309-R312 WeakPolarHBondContact O-CB 3.36Å; F309-R312 PolarHBondContact O-N 3.28Å; F309-R312 VanDerWaalsContact O-N 3.14Å; F309-L313 PolarHBondContact O-N 3.11Å; F309-L386 HydrophobicContact CE1-CD2 4.48Å; F309-L386 HydrophobicContact CE2-CD1 4.36Å; F309-L386 HydrophobicContact CE2-CD2 3.81Å; F309-L386 HydrophobicContact CE2-CG 3.73Å; F309-L386 HydrophobicContact CZ-CD2 3.49Å; F309-L386 VanDerWaalsContact CZ-CD2 3.49Å; F309-L386 HydrophobicContact CZ-CG 3.64Å; F309-I388 HydrophobicContact CB-CD1 4.03Å; F309-I388 HydrophobicContact CD1-CD1 3.53Å; F309-I388 HydrophobicContact CD2-CD1 3.99Å; F309-I388 VanDerWaalsContact CD2-O 3.27Å; F309-I388 WeakPolarHBondContact CD2-O 3.32Å; F309-I388 HydrophobicContact CE1-CD1 3.89Å; F309-I388 HydrophobicContact CE2-CD1 4.3Å; F309-I388 HydrophobicContact CG-CD1 3.59Å; F309-I388 HydrophobicContact CZ-CD1 4.25Å; F309-V390 WeakPolarHBondContact CD2-O 3.49Å
310	F	98.4	Very high	97.3	Very high	7 Å²	7	33 Å²	33	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-36.5	178.4	-72.1	-61.7	0	0	0	112.8	I297 V306 S307 R312 L313 L314 I327 V338 F341	I297-F310 HydrophobicContact CD1-CE1 4.48Å; V306-F310 HydrophobicContact CG1-CD2 4.04Å; V306-F310 HydrophobicContact CG1-CE2 3.65Å; V306-F310 VanDerWaalsContact O-CD2 3.28Å; V306-F310 WeakPolarHBondContact O-CD2 3.39Å; V306-F310 PolarHBondContact O-N 3.34Å; S307-F310 PolarHBondContact O-N 2.75Å; F310-R312 VanDerWaalsContact C-N 3.28Å; F310-R312 PolarHBondContact O-N 3Å; F310-L313 HydrophobicContact CD1-CD2 4.13Å; F310-L313 WeakPolarHBondContact O-CB 3.28Å; F310-L313 PolarHBondContact O-N 3Å; F310-L314 WeakPolarHBondContact O-CG 3.43Å; F310-L314 PolarHBondContact O-N 2.94Å; F310-I327 HydrophobicContact CE1-CD1 4.21Å; F310-V338 HydrophobicContact CE2-CG2 4.04Å; F310-V338 HydrophobicContact CZ-CG2 3.98Å; F310-F341 HydrophobicContact CB-CB 4.22Å; F310-F341 HydrophobicContact CB-CD2 3.6Å; F310-F341 HydrophobicContact CB-CE2 4.12Å; F310-F341 HydrophobicContact CB-CG 3.93Å; F310-F341 HydrophobicContact CD1-CB 4.18Å; F310-F341 AromaticContact CD1-CD1 3.49Å; F310-F341 HydrophobicContact CD1-CD1 3.49Å; F310-F341 VanDerWaalsContact CD1-CD1 3.49Å; F310-F341 AromaticContact CD1-CD2 3.83Å; F310-F341 HydrophobicContact CD1-CD2 3.83Å; F310-F341 AromaticContact CD1-CE1 3.74Å; F310-F341 HydrophobicContact CD1-CE1 3.74Å; F310-F341 HydrophobicContact CD1-CE2 4.04Å; F310-F341 AromaticContact CD1-CG 3.54Å; F310-F341 HydrophobicContact CD1-CG 3.54Å; F310-F341 HydrophobicContact CD1-CZ 4.01Å; F310-F341 HydrophobicContact CD2-CB 4.16Å; F310-F341 HydrophobicContact CD2-CG 4.38Å; F310-F341 AromaticContact CE1-CD1 3.7Å; F310-F341 HydrophobicContact CE1-CD1 3.7Å; F310-F341 AromaticContact CE1-CE1 4Å; F310-F341 HydrophobicContact CE1-CE1 4Å; F310-F341 HydrophobicContact CE1-CG 4.14Å; F310-F341 HydrophobicContact CG-CB 3.93Å; F310-F341 HydrophobicContact CG-CD1 4.12Å; F310-F341 AromaticContact CG-CD2 3.89Å; F310-F341 HydrophobicContact CG-CD2 3.89Å; F310-F341 HydrophobicContact CG-CE2 4.44Å; F310-F341 AromaticContact CG-CG 3.69Å; F310-F341 HydrophobicContact CG-CG 3.69Å; F310-F341 HydrophobicContact CZ-CD1 4.46Å
311	E	97.4	Very high	97.4	Very high	74 Å²	74	34.1 Å²	34.1	35%	0.346	17%	0.172	S	C	.	.	H	α-helix	trans	-57.4	-41.3	170.5	-69.2	170.7	-155.8	0	0	111.7	S307 V308 F309 L314 K315 R538	S307-E311 WeakPolarHBondContact O-CG 3.46Å; S307-E311 PolarHBondContact O-N 3.48Å; V308-E311 PolarHBondContact O-N 2.99Å; F309-E311 PolarHBondContact O-N 3.44Å; E311-L314 PolarHBondContact O-N 3.29Å; E311-K315 WeakPolarHBondContact O-CG 3.3Å; E311-K315 PolarHBondContact O-N 3.24Å; E311-R538 IonicContact OE1-NH1 3.57Å; E311-R538 PolarHBondContact OE1-NH1 2.94Å
312	R	97.8	Very high	97.5	Very high	29 Å²	29	33 Å²	33	11%	0.109	16%	0.164	C	C	.	.	H	α-helix	trans	-69.5	-38.8	176	-70.5	-179.4	-65.4	-103.7	4.8	112.4	V308 F309 F310 L314 K315 L316	V308-R312 WeakPolarHBondContact O-CG 3.49Å; V308-R312 PolarHBondContact O-N 3.39Å; F309-R312 WeakPolarHBondContact O-CB 3.36Å; F309-R312 PolarHBondContact O-N 3.28Å; F309-R312 VanDerWaalsContact O-N 3.14Å; F310-R312 VanDerWaalsContact C-N 3.28Å; F310-R312 PolarHBondContact O-N 3Å; R312-L314 VanDerWaalsContact C-N 3.25Å; R312-L314 PolarHBondContact O-N 3.42Å; R312-K315 PolarHBondContact O-N 3.07Å; R312-L316 PolarHBondContact O-N 3.28Å; R312-L316 VanDerWaalsContact O-N 3.12Å
313	L	98.2	Very high	97.6	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-41.1	175.1	-176.6	69.8	0	0	0	111.2	I295 I297 F309 F310 K315 L316 K320 L325 F341 L386	I295-L313 HydrophobicContact CD1-CD1 4.19Å; I297-L313 HydrophobicContact CD1-CD1 4.39Å; I297-L313 HydrophobicContact CD1-CD2 3.57Å; F309-L313 PolarHBondContact O-N 3.11Å; F310-L313 HydrophobicContact CD1-CD2 4.13Å; F310-L313 WeakPolarHBondContact O-CB 3.28Å; F310-L313 PolarHBondContact O-N 3Å; L313-K315 VanDerWaalsContact C-N 3.35Å; L313-L316 HydrophobicContact CD1-CD1 3.93Å; L313-L316 WeakPolarHBondContact O-CB 3.47Å; L313-L316 PolarHBondContact O-N 3.14Å; L313-K320 PolarHBondContact O-NZ 3.24Å; L313-L325 HydrophobicContact CD2-CD1 4.44Å; L313-L325 HydrophobicContact CD2-CD2 4.47Å; L313-F341 HydrophobicContact CD2-CE1 4.21Å; L313-F341 HydrophobicContact CD2-CE2 4.44Å; L313-F341 HydrophobicContact CD2-CZ 3.72Å; L313-L386 HydrophobicContact CD1-CD2 4.3Å
314	L	97.7	Very high	97.7	Very high	46 Å²	46	32.6 Å²	32.6	24%	0.241	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-39	174.3	-67.3	168.4	0	0	0	112.3	F310 E311 R312 L316 K320 F341 H345 L348 Y349	F310-L314 WeakPolarHBondContact O-CG 3.43Å; F310-L314 PolarHBondContact O-N 2.94Å; E311-L314 PolarHBondContact O-N 3.29Å; R312-L314 VanDerWaalsContact C-N 3.25Å; R312-L314 PolarHBondContact O-N 3.42Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 3.24Å; L314-K320 WeakPolarHBondContact O-CE 3.15Å; L314-K320 PolarHBondContact O-NZ 2.63Å; L314-F341 HydrophobicContact CD1-CE2 4.24Å; L314-F341 HydrophobicContact CD2-CE2 3.86Å; L314-F341 HydrophobicContact CG-CE2 3.91Å; L314-H345 VanDerWaalsContact CD1-CD2 3.47Å; L314-H345 WeakPolarHBondContact CD1-CD2 3.28Å; L314-H345 HydrophobicContact CD2-CB 3.81Å; L314-L348 HydrophobicContact CD2-CD1 4.27Å; L314-Y349 HydrophobicContact CD2-CE2 4.43Å
315	K	97.7	Very high	97.7	Very high	115 Å²	115	32.6 Å²	32.6	50%	0.5	16%	0.158	S	C	.	.	H	α-helix	trans	-73.2	-13.4	179.1	-70.2	174.7	-177.6	173.6	0	114.5	E311 R312 L313 Q317 E395	E311-K315 WeakPolarHBondContact O-CG 3.3Å; E311-K315 PolarHBondContact O-N 3.24Å; R312-K315 PolarHBondContact O-N 3.07Å; L313-K315 VanDerWaalsContact C-N 3.35Å; K315-Q317 PolarHBondContact O-N 3.07Å; K315-Q317 VanDerWaalsContact O-N 3.11Å; K315-E395 HydrophobicContact CB-CG 4.29Å; K315-E395 WeakPolarHBondContact O-CB 3.45Å
316	L	97.5	Very high	97.7	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-52.3	123.5	174.1	-71.2	-177.1	0	0	0	110.5	R312 L313 L314 Y318 K320 L392	R312-L316 PolarHBondContact O-N 3.28Å; R312-L316 VanDerWaalsContact O-N 3.12Å; L313-L316 HydrophobicContact CD1-CD1 3.93Å; L313-L316 WeakPolarHBondContact O-CB 3.47Å; L313-L316 PolarHBondContact O-N 3.14Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 3.24Å; L316-Y318 PolarHBondContact O-N 3.28Å; L316-K320 PolarHBondContact O-NZ 3.42Å; L316-L392 HydrophobicContact CD2-CD1 4.24Å
317	Q	96.9	Very high	97.8	Very high	89 Å²	89	32.3 Å²	32.3	42%	0.416	16%	0.157	S	C	.	.	S	Bend	trans	-75.2	64.7	-178	-66.4	-64.8	-31.7	0	0	110.2	K315 E395 N396 K399	K315-Q317 PolarHBondContact O-N 3.07Å; K315-Q317 VanDerWaalsContact O-N 3.11Å; Q317-E395 HydrophobicContact CG-CB 3.71Å; Q317-E395 PolarHBondContact N-O 2.79Å; Q317-E395 PolarHBondContact NE2-OE2 2.96Å; Q317-N396 WeakPolarHBondContact CB-OD1 3.29Å; Q317-K399 WeakPolarHBondContact O-CD 3.45Å; Q317-K399 WeakPolarHBondContact O-CE 3.4Å; Q317-K399 PolarHBondContact O-NZ 2.81Å
318	Y	97.6	Very high	97.9	Very high	9 Å²	9	30 Å²	30	4%	0.035	14%	0.141	C	C	.	.	S	Bend	trans	-145.1	139.6	175.8	-154.8	-91.7	0	0	0	109.6	Y290 P291 V293 L316 K320 R322 L323 L398 K399 I402	Y290-Y318 HydrophobicContact CD2-CD2 4.13Å; Y290-Y318 AromaticContact CD2-CE2 3.74Å; Y290-Y318 HydrophobicContact CD2-CE2 3.74Å; Y290-Y318 AromaticContact CD2-CZ 3.97Å; Y290-Y318 HydrophobicContact CG-CE2 4.49Å; P291-Y318 WeakPolarHBondContact CD-OH 3.27Å; P291-Y318 PolarHBondContact O-OH 3.28Å; V293-Y318 HydrophobicContact CG2-CE1 4.09Å; L316-Y318 PolarHBondContact O-N 3.28Å; Y318-K320 PolarHBondContact O-N 3.04Å; Y318-R322 HydrophobicContact CD1-CB 4.37Å; Y318-R322 HydrophobicContact CE1-CB 3.85Å; Y318-L323 HydrophobicContact CD1-CD1 4.37Å; Y318-L323 HydrophobicContact CD1-CD2 3.39Å; Y318-L323 HydrophobicContact CD1-CG 3.85Å; Y318-L323 HydrophobicContact CE1-CD2 3.78Å; Y318-L323 HydrophobicContact CG-CD2 4.24Å; Y318-L398 HydrophobicContact CD1-CD2 4.18Å; Y318-L398 HydrophobicContact CD2-CD2 4Å; Y318-L398 HydrophobicContact CD2-CG 4.17Å; Y318-L398 HydrophobicContact CE2-CD2 4.43Å; Y318-L398 HydrophobicContact CE2-CG 4.44Å; Y318-L398 HydrophobicContact CG-CD2 3.85Å; Y318-L398 HydrophobicContact CG-CG 4.5Å; Y318-K399 HydrophobicContact CD2-CG 3.95Å; Y318-K399 HydrophobicContact CE2-CG 4.46Å; Y318-I402 HydrophobicContact CE2-CD1 3.7Å
319	P	97.3	Very high	97.9	Very high	13 Å²	13	29.1 Å²	29.1	8%	0.084	14%	0.135	C	C	.	.			trans	-60.3	120.1	-177.6	-22.4	33.5	0	0	0	111.2	E287 Y290 N321 R322	E287-P319 HydrophobicContact CB-CG 3.63Å; E287-P319 HydrophobicContact CG-CG 3.98Å; Y290-P319 HydrophobicContact CD2-CG 3.92Å; Y290-P319 HydrophobicContact CE2-CG 4.32Å; P319-N321 VanDerWaalsContact CB-OD1 3.23Å; P319-N321 WeakPolarHBondContact CB-OD1 3.42Å; P319-N321 PolarHBondContact O-N 2.83Å; P319-R322 HydrophobicContact CB-CB 4.36Å; P319-R322 HydrophobicContact CB-CG 4.01Å; P319-R322 WeakPolarHBondContact O-CB 3.33Å; P319-R322 PolarHBondContact O-N 3.47Å
320	K	97.4	Very high	97.8	Very high	33 Å²	33	31.6 Å²	31.6	14%	0.143	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-63.3	-31.7	-175	-54.9	-50.5	-176.7	-165.5	0	112.5	L313 L314 L316 Y318 R322 L323 L348 Y349	L313-K320 PolarHBondContact O-NZ 3.24Å; L314-K320 WeakPolarHBondContact O-CE 3.15Å; L314-K320 PolarHBondContact O-NZ 2.63Å; L316-K320 PolarHBondContact O-NZ 3.42Å; Y318-K320 PolarHBondContact O-N 3.04Å; K320-R322 PolarHBondContact O-N 3.1Å; K320-R322 VanDerWaalsContact O-N 3.12Å; K320-L323 HydrophobicContact CD-CD1 3.89Å; K320-L323 WeakPolarHBondContact O-CB 3.4Å; K320-L323 PolarHBondContact O-N 3.18Å; K320-L323 VanDerWaalsContact O-O 3.13Å; K320-L348 CarbonylContact C-O 3.4Å; K320-L348 HydrophobicContact CB-CB 4.06Å; K320-L348 WeakPolarHBondContact CB-O 3.42Å; K320-L348 HydrophobicContact CG-CB 4.41Å; K320-Y349 HydrophobicContact CB-CD1 4.3Å; K320-Y349 HydrophobicContact CB-CE1 4.34Å; K320-Y349 HydrophobicContact CD-CE1 3.82Å; K320-Y349 HydrophobicContact CG-CE1 4.45Å; K320-Y349 WeakPolarHBondContact O-CA 3.3Å
321	N	96.7	Very high	97.6	Very high	92 Å²	92	33.1 Å²	33.1	49%	0.492	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-69.2	-2.3	172	69.1	-20.1	0	0	0	114.7	P319 L348	P319-N321 VanDerWaalsContact CB-OD1 3.23Å; P319-N321 WeakPolarHBondContact CB-OD1 3.42Å; P319-N321 PolarHBondContact O-N 2.83Å; N321-L348 PolarHBondContact N-O 3.02Å
322	R	97.8	Very high	97.5	Very high	55 Å²	55	33.9 Å²	33.9	21%	0.208	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-108.1	7.7	169.1	-59.3	-60.9	-64.4	168.4	-0.6	112.2	Y290 V293 Y318 P319 K320	Y290-R322 PolarHBondContact O-NE 2.97Å; Y290-R322 PolarHBondContact O-NH2 3.38Å; V293-R322 PolarHBondContact N-O 2.96Å; Y318-R322 HydrophobicContact CD1-CB 4.37Å; Y318-R322 HydrophobicContact CE1-CB 3.85Å; P319-R322 HydrophobicContact CB-CB 4.36Å; P319-R322 HydrophobicContact CB-CG 4.01Å; P319-R322 WeakPolarHBondContact O-CB 3.33Å; P319-R322 PolarHBondContact O-N 3.47Å; K320-R322 PolarHBondContact O-N 3.1Å; K320-R322 VanDerWaalsContact O-N 3.12Å
323	L	98.6	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.5	179.1	-58.8	179.3	0	0	0	109.9	V293 I295 Y318 K320 Y349 L350 L398	V293-L323 HydrophobicContact CB-CD2 3.76Å; V293-L323 HydrophobicContact CG1-CD2 4.46Å; V293-L323 HydrophobicContact CG2-CD2 4.3Å; V293-L323 CarbonylContact O-C 3.48Å; V293-L323 WeakPolarHBondContact O-CA 3.48Å; I295-L323 HydrophobicContact CD1-CD1 3.88Å; I295-L323 HydrophobicContact CD1-CD2 4Å; I295-L323 HydrophobicContact CD1-CG 4.36Å; I295-L323 HydrophobicContact CG1-CD2 4.35Å; Y318-L323 HydrophobicContact CD1-CD1 4.37Å; Y318-L323 HydrophobicContact CD1-CD2 3.39Å; Y318-L323 HydrophobicContact CD1-CG 3.85Å; Y318-L323 HydrophobicContact CE1-CD2 3.78Å; Y318-L323 HydrophobicContact CG-CD2 4.24Å; K320-L323 HydrophobicContact CD-CD1 3.89Å; K320-L323 WeakPolarHBondContact O-CB 3.4Å; K320-L323 PolarHBondContact O-N 3.18Å; K320-L323 VanDerWaalsContact O-O 3.13Å; L323-Y349 HydrophobicContact CB-CD1 3.82Å; L323-Y349 HydrophobicContact CB-CE1 4.27Å; L323-Y349 HydrophobicContact CD1-CD1 4.42Å; L323-Y349 HydrophobicContact CD1-CE1 4.06Å; L323-L350 WeakPolarHBondContact O-CB 3.34Å; L323-L350 PolarHBondContact O-N 3.08Å; L323-L398 HydrophobicContact CD2-CD2 3.81Å
324	K	98.6	Very high	97.3	Very high	32 Å²	32	35.4 Å²	35.4	14%	0.139	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.4	163.3	-59.6	-175.6	176.8	179.6	0	108.7	L292 V293 V294 I295 L350 D351 M373 D377	L292-K324 HydrophobicContact CD2-CD 4.13Å; L292-K324 HydrophobicContact CD2-CG 4.28Å; V293-K324 PolarHBondContact O-N 2.74Å; V294-K324 CarbonylContact C-O 3.52Å; V294-K324 WeakPolarHBondContact CA-O 3.14Å; V294-K324 HydrophobicContact CG2-CB 4.17Å; V294-K324 HydrophobicContact CG2-CD 4.35Å; I295-K324 PolarHBondContact N-O 2.79Å; K324-L350 HydrophobicContact CG-CB 4.16Å; K324-L350 HydrophobicContact CG-CD2 4.17Å; K324-L350 HydrophobicContact CG-CG 4.39Å; K324-D351 CarbonylContact C-O 3.49Å; K324-D351 VanDerWaalsContact CA-O 3.27Å; K324-D351 WeakPolarHBondContact CA-O 3.07Å; K324-D351 HydrophobicContact CB-CB 4.26Å; K324-D351 HydrophobicContact CD-CB 3.98Å; K324-D351 HydrophobicContact CG-CB 3.85Å; K324-M373 HydrophobicContact CB-CE 3.83Å; K324-M373 HydrophobicContact CD-CE 3.99Å; K324-D377 IonicContact NZ-OD2 4Å; K324-D377 PolarHBondContact NZ-OD2 3.25Å
325	L	98.8	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.1	177.3	-57.8	-175.1	0	0	0	110.5	I295 I297 L313 I327 F341 Y349 D351 V352 K353	I295-L325 HydrophobicContact CB-CD2 3.95Å; I295-L325 HydrophobicContact CD1-CD2 4.29Å; I295-L325 HydrophobicContact CG1-CD2 4.42Å; I297-L325 HydrophobicContact CD1-CD2 4.49Å; L313-L325 HydrophobicContact CD2-CD1 4.44Å; L313-L325 HydrophobicContact CD2-CD2 4.47Å; L325-I327 HydrophobicContact CB-CG1 4.46Å; L325-F341 HydrophobicContact CD1-CE1 3.86Å; L325-F341 HydrophobicContact CD1-CZ 4.12Å; L325-Y349 HydrophobicContact CD1-CD1 3.75Å; L325-Y349 HydrophobicContact CD1-CD2 3.64Å; L325-Y349 HydrophobicContact CD1-CE1 3.84Å; L325-Y349 HydrophobicContact CD1-CE2 3.73Å; L325-Y349 HydrophobicContact CD1-CG 3.66Å; L325-Y349 HydrophobicContact CD2-CD1 3.7Å; L325-Y349 HydrophobicContact CD2-CE1 3.71Å; L325-Y349 HydrophobicContact CD2-CG 4.39Å; L325-Y349 HydrophobicContact CG-CD1 3.56Å; L325-Y349 HydrophobicContact CG-CD2 4.26Å; L325-Y349 HydrophobicContact CG-CE1 3.94Å; L325-Y349 HydrophobicContact CG-CG 3.74Å; L325-D351 PolarHBondContact N-O 2.73Å; L325-V352 HydrophobicContact CB-CG1 4.3Å; L325-V352 HydrophobicContact CB-CG2 4.2Å; L325-V352 HydrophobicContact CD1-CG2 4.32Å; L325-V352 HydrophobicContact CG-CG2 4.42Å; L325-V352 CarbonylContact O-C 3.5Å; L325-V352 WeakPolarHBondContact O-CA 3.32Å; L325-K353 PolarHBondContact O-N 2.81Å
326	F	98.6	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.8	160.3	-178.9	-83.6	0	0	0	107	I295 G296 I297 F298 K353 I355 M361 M369 A370 M373	I295-F326 PolarHBondContact O-N 2.76Å; G296-F326 CarbonylContact C-O 3.52Å; G296-F326 WeakPolarHBondContact CA-O 3.36Å; I297-F326 PolarHBondContact N-O 2.97Å; F298-F326 HydrophobicContact CE1-CD1 4.3Å; F298-F326 HydrophobicContact CE1-CE1 4.05Å; F326-K353 CarbonylContact C-O 3.56Å; F326-K353 VanDerWaalsContact CA-O 3.26Å; F326-K353 WeakPolarHBondContact CA-O 3.41Å; F326-K353 HydrophobicContact CD2-CB 4.16Å; F326-K353 HydrophobicContact CD2-CD 3.97Å; F326-K353 HydrophobicContact CD2-CG 4.09Å; F326-K353 HydrophobicContact CE2-CD 3.94Å; F326-K353 HydrophobicContact CE2-CG 4.24Å; F326-I355 HydrophobicContact CE2-CG1 4.2Å; F326-I355 HydrophobicContact CZ-CG1 3.83Å; F326-M361 HydrophobicContact CZ-CE 4.34Å; F326-M369 HydrophobicContact CE2-CB 4.47Å; F326-M369 HydrophobicContact CE2-CG 3.93Å; F326-M369 HydrophobicContact CE2-SD 3.99Å; F326-M369 HydrophobicContact CZ-CB 4.27Å; F326-M369 HydrophobicContact CZ-CG 4.17Å; F326-M369 HydrophobicContact CZ-SD 4.21Å; F326-A370 HydrophobicContact CB-CB 4.38Å; F326-A370 HydrophobicContact CD1-CB 3.48Å; F326-A370 VanDerWaalsContact CD1-CB 3.48Å; F326-A370 HydrophobicContact CD2-CB 4.32Å; F326-A370 HydrophobicContact CE1-CB 3.71Å; F326-A370 HydrophobicContact CG-CB 3.8Å; F326-A370 HydrophobicContact CZ-CB 4.23Å; F326-M373 HydrophobicContact CB-SD 4.12Å; F326-M373 HydrophobicContact CD2-SD 4.14Å
327	I	98.6	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.9	178.2	-50.9	-177.5	0	0	0	107.6	I297 F310 L325 V338 F341 L342 K353 S354 I355	I297-I327 HydrophobicContact CB-CG1 4.34Å; I297-I327 HydrophobicContact CB-CG2 4.45Å; I297-I327 HydrophobicContact CD1-CG1 4.2Å; I297-I327 HydrophobicContact CG2-CG2 4.42Å; I297-I327 CarbonylContact O-C 3.29Å; I297-I327 WeakPolarHBondContact O-CA 3.24Å; F310-I327 HydrophobicContact CE1-CD1 4.21Å; L325-I327 HydrophobicContact CB-CG1 4.46Å; I327-V338 HydrophobicContact CD1-CG1 4.49Å; I327-V338 HydrophobicContact CG2-CG1 4.11Å; I327-F341 HydrophobicContact CD1-CD1 4.41Å; I327-F341 HydrophobicContact CD1-CE1 4.3Å; I327-L342 HydrophobicContact CD1-CD2 3.79Å; I327-L342 HydrophobicContact CD1-CG 4.33Å; I327-K353 PolarHBondContact N-O 2.86Å; I327-S354 CarbonylContact O-C 3.3Å; I327-S354 VanDerWaalsContact O-CA 3.29Å; I327-S354 WeakPolarHBondContact O-CA 3.49Å; I327-I355 PolarHBondContact O-N 3.14Å
328	S	98.1	Very high	97.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.7	169.3	175	0	0	0	0	108.8	I297 I299 A366	I297-S328 PolarHBondContact O-N 3.15Å; I299-S328 PolarHBondContact N-O 3.02Å; S328-A366 WeakPolarHBondContact OG-CB 3.47Å
329	N	97.6	Very high	97.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.4	175.5	-176.9	27.5	0	0	0	109.8	I299 E331 E335 V338 I355 R356 P357	I299-N329 HydrophobicContact CD1-CB 4.27Å; N329-E331 PolarHBondContact ND2-O 2.81Å; N329-E331 PolarHBondContact OD1-N 2.84Å; N329-E331 PolarHBondContact OD1-O 2.89Å; N329-E331 VanDerWaalsContact OD1-O 3.09Å; N329-E335 PolarHBondContact ND2-N 3.01Å; N329-E335 PolarHBondContact ND2-OE2 3.37Å; N329-V338 HydrophobicContact CB-CG2 4.47Å; N329-I355 PolarHBondContact N-O 3.28Å; N329-R356 CarbonylContact O-C 3.59Å; N329-R356 VanDerWaalsContact O-C 3.3Å; N329-P357 HydrophobicContact CB-CG 4.34Å; N329-P357 WeakPolarHBondContact ND2-CG 3.33Å; N329-P357 VanDerWaalsContact O-CA 3.29Å; N329-P357 WeakPolarHBondContact O-CA 3.45Å; N329-P357 WeakPolarHBondContact O-CD 3.33Å; N329-P357 WeakPolarHBondContact O-CG 3.47Å
330	Q	95.7	Very high	97.1	Very high	56 Å²	56	37.2 Å²	37.2	26%	0.262	19%	0.191	S	C	.	.			trans	-96.8	-4.8	171.7	-67.6	178.2	-15.2	0	0	112.2	I299 P332 M361 D362 G363	I299-Q330 PolarHBondContact O-N 2.78Å; Q330-P332 WeakPolarHBondContact O-CD 3.35Å; Q330-M361 PolarHBondContact NE2-O 2.86Å; Q330-D362 VanDerWaalsContact NE2-C 3.31Å; Q330-G363 VanDerWaalsContact NE2-CA 3.34Å
331	E	95.6	Very high	97.2	Very high	40 Å²	40	36.1 Å²	36.1	19%	0.187	19%	0.187	C	C	.	.			trans	-110.4	104.8	-171.4	-68.3	-59.7	148.8	0	0	111.5	I299 Q301 P302 N329 H333 H334	I299-E331 HydrophobicContact CG2-CB 4.14Å; I299-E331 HydrophobicContact CG2-CG 4.16Å; Q301-E331 VanDerWaalsContact C-CG 3.42Å; Q301-E331 VanDerWaalsContact CA-OE1 3.31Å; Q301-E331 WeakPolarHBondContact CA-OE1 3.35Å; P302-E331 VanDerWaalsContact CD-CD 3.41Å; P302-E331 WeakPolarHBondContact CD-OE1 3.43Å; P302-E331 WeakPolarHBondContact CD-OE2 3.33Å; P302-E331 WeakPolarHBondContact CG-OE2 3.47Å; N329-E331 PolarHBondContact ND2-O 2.81Å; N329-E331 PolarHBondContact OD1-N 2.84Å; N329-E331 PolarHBondContact OD1-O 2.89Å; N329-E331 VanDerWaalsContact OD1-O 3.09Å; E331-H333 PolarHBondContact O-N 3.34Å; E331-H333 VanDerWaalsContact O-N 3.1Å; E331-H334 HydrophobicContact CB-CB 4.35Å; E331-H334 PolarHBondContact O-N 2.89Å
332	P	94.9	Very high	97.2	Very high	90 Å²	90	33.6 Å²	33.6	58%	0.584	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-53.8	-33.6	177.5	-26.8	34.8	0	0	0	113.4	Q330 H334 E335 P357	Q330-P332 WeakPolarHBondContact O-CD 3.35Å; P332-H334 PolarHBondContact O-N 3.39Å; P332-E335 WeakPolarHBondContact O-CB 3.49Å; P332-E335 PolarHBondContact O-N 2.8Å; P332-P357 HydrophobicContact CG-CB 3.86Å; P332-P357 HydrophobicContact CG-CG 4.38Å
333	H	94.2	Very high	97.2	Very high	64 Å²	64	38.5 Å²	38.5	30%	0.296	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-60	-26.6	177.5	-179.7	70.6	0	0	0	113.6	E331 Q337 T518 N523	E331-H333 PolarHBondContact O-N 3.34Å; E331-H333 VanDerWaalsContact O-N 3.1Å; H333-Q337 PolarHBondContact O-OE1 3.44Å; H333-T518 HydrophobicContact CB-CG2 4.34Å; H333-N523 PolarHBondContact CE1-ND2 3.2Å; H333-N523 PolarHBondContact NE2-ND2 3.15Å
334	H	96.5	Very high	97.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-96.9	-2.6	-178.4	-69.2	-52.1	0	0	0	113.9	I299 T303 V306 E331 P332 Q336 Q337 V338	I299-H334 HydrophobicContact CD1-CB 4.47Å; I299-H334 HydrophobicContact CG2-CB 4.26Å; T303-H334 PolarHBondContact N-NE2 3.01Å; T303-H334 PolarHBondContact O-CE1 3Å; T303-H334 PolarHBondContact O-NE2 3.35Å; V306-H334 WeakPolarHBondContact CG2-ND1 2.83Å; E331-H334 HydrophobicContact CB-CB 4.35Å; E331-H334 PolarHBondContact O-N 2.89Å; P332-H334 PolarHBondContact O-N 3.39Å; H334-Q336 VanDerWaalsContact C-N 3.32Å; H334-Q336 PolarHBondContact O-N 3.06Å; H334-Q337 VanDerWaalsContact CA-OE1 3.24Å; H334-Q337 PolarHBondContact O-N 3.38Å; H334-Q337 PolarHBondContact O-OE1 3.11Å; H334-V338 WeakPolarHBondContact O-CG2 3.39Å; H334-V338 PolarHBondContact O-N 2.84Å; H334-V338 VanDerWaalsContact O-N 3.08Å
335	E	96.1	Very high	97.2	Very high	25 Å²	25	45 Å²	45	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-35.9	-173.8	-175.7	52.9	-144.4	0	0	112.4	N329 P332 Q337 V338 S339 P357	N329-E335 PolarHBondContact ND2-N 3.01Å; N329-E335 PolarHBondContact ND2-OE2 3.37Å; P332-E335 WeakPolarHBondContact O-CB 3.49Å; P332-E335 PolarHBondContact O-N 2.8Å; E335-Q337 VanDerWaalsContact C-N 3.34Å; E335-Q337 PolarHBondContact O-N 2.92Å; E335-V338 PolarHBondContact O-N 2.64Å; E335-S339 VanDerWaalsContact O-CB 3.23Å; E335-S339 WeakPolarHBondContact O-CB 3.46Å; E335-S339 PolarHBondContact O-N 3.22Å; E335-S339 PolarHBondContact O-OG 2.92Å; E335-S339 PolarHBondContact OE1-OG 2.82Å; E335-P357 WeakPolarHBondContact OE2-CD 3.22Å
336	Q	95.3	Very high	97.1	Very high	156 Å²	156	45.5 Å²	45.5	73%	0.729	24%	0.238	S	C	*	.	H	α-helix	trans	-63.1	-41.6	177.6	-174.3	178.4	-0.8	0	0	111.5	H334 S340	H334-Q336 VanDerWaalsContact C-N 3.32Å; H334-Q336 PolarHBondContact O-N 3.06Å; Q336-S340 VanDerWaalsContact O-CB 3.24Å; Q336-S340 WeakPolarHBondContact O-CB 3.48Å; Q336-S340 PolarHBondContact O-N 2.96Å; Q336-S340 PolarHBondContact O-OG 3.24Å
337	Q	97	Very high	97.1	Very high	42 Å²	42	50.8 Å²	50.8	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-44.4	179.2	-62.2	86.3	-31.9	0	0	110.5	V306 S307 H333 H334 E335 F341	V306-Q337 HydrophobicContact CG1-CB 3.86Å; V306-Q337 HydrophobicContact CG1-CG 4.37Å; S307-Q337 WeakPolarHBondContact OG-CG 3.16Å; H333-Q337 PolarHBondContact O-OE1 3.44Å; H334-Q337 VanDerWaalsContact CA-OE1 3.24Å; H334-Q337 PolarHBondContact O-N 3.38Å; H334-Q337 PolarHBondContact O-OE1 3.11Å; E335-Q337 VanDerWaalsContact C-N 3.34Å; E335-Q337 PolarHBondContact O-N 2.92Å; Q337-F341 WeakPolarHBondContact O-CB 3.4Å; Q337-F341 PolarHBondContact O-N 3.06Å
338	V	98.1	Very high	97	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-52.8	176.5	175.9	0	0	0	0	110.6	I299 F310 I327 N329 H334 E335 S340 F341 L342	I299-V338 HydrophobicContact CD1-CG2 3.52Å; F310-V338 HydrophobicContact CE2-CG2 4.04Å; F310-V338 HydrophobicContact CZ-CG2 3.98Å; I327-V338 HydrophobicContact CD1-CG1 4.49Å; I327-V338 HydrophobicContact CG2-CG1 4.11Å; N329-V338 HydrophobicContact CB-CG2 4.47Å; H334-V338 WeakPolarHBondContact O-CG2 3.39Å; H334-V338 PolarHBondContact O-N 2.84Å; H334-V338 VanDerWaalsContact O-N 3.08Å; E335-V338 PolarHBondContact O-N 2.64Å; V338-S340 VanDerWaalsContact C-N 3.33Å; V338-S340 PolarHBondContact O-N 3.36Å; V338-F341 PolarHBondContact O-N 2.79Å; V338-L342 HydrophobicContact CG1-CD1 4.05Å; V338-L342 HydrophobicContact CG1-CG 4.41Å; V338-L342 WeakPolarHBondContact O-CG 3.11Å; V338-L342 PolarHBondContact O-N 2.99Å
339	S	97.6	Very high	97	Very high	45 Å²	45	55.4 Å²	55.4	32%	0.315	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-41.9	-179.8	-83.8	0	0	0	0	112.1	E335 L342 Q343	E335-S339 VanDerWaalsContact O-CB 3.23Å; E335-S339 WeakPolarHBondContact O-CB 3.46Å; E335-S339 PolarHBondContact O-N 3.22Å; E335-S339 PolarHBondContact O-OG 2.92Å; E335-S339 PolarHBondContact OE1-OG 2.82Å; S339-L342 PolarHBondContact O-N 3.4Å; S339-Q343 WeakPolarHBondContact O-CB 3.33Å; S339-Q343 PolarHBondContact O-N 3.1Å
340	S	97.7	Very high	97	Very high	48 Å²	48	59.4 Å²	59.4	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-42.5	176.7	-60	0	0	0	0	112.2	Q336 V338 N344	Q336-S340 VanDerWaalsContact O-CB 3.24Å; Q336-S340 WeakPolarHBondContact O-CB 3.48Å; Q336-S340 PolarHBondContact O-N 2.96Å; Q336-S340 PolarHBondContact O-OG 3.24Å; V338-S340 VanDerWaalsContact C-N 3.33Å; V338-S340 PolarHBondContact O-N 3.36Å; S340-N344 WeakPolarHBondContact O-CB 3.43Å; S340-N344 VanDerWaalsContact O-CG 3.28Å; S340-N344 PolarHBondContact O-N 3.13Å; S340-N344 VanDerWaalsContact O-N 3.1Å; S340-N344 PolarHBondContact O-ND2 3.22Å
341	F	98.4	Very high	97.1	Very high	10 Å²	10	60.5 Å²	60.5	4%	0.044	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-46.7	175.3	166.3	-102.5	0	0	0	111.5	F310 L313 L314 L325 I327 Q337 V338 Q343 N344 H345 Y349	F310-F341 HydrophobicContact CB-CB 4.22Å; F310-F341 HydrophobicContact CB-CD2 3.6Å; F310-F341 HydrophobicContact CB-CE2 4.12Å; F310-F341 HydrophobicContact CB-CG 3.93Å; F310-F341 HydrophobicContact CD1-CB 4.18Å; F310-F341 AromaticContact CD1-CD1 3.49Å; F310-F341 HydrophobicContact CD1-CD1 3.49Å; F310-F341 VanDerWaalsContact CD1-CD1 3.49Å; F310-F341 AromaticContact CD1-CD2 3.83Å; F310-F341 HydrophobicContact CD1-CD2 3.83Å; F310-F341 AromaticContact CD1-CE1 3.74Å; F310-F341 HydrophobicContact CD1-CE1 3.74Å; F310-F341 HydrophobicContact CD1-CE2 4.04Å; F310-F341 AromaticContact CD1-CG 3.54Å; F310-F341 HydrophobicContact CD1-CG 3.54Å; F310-F341 HydrophobicContact CD1-CZ 4.01Å; F310-F341 HydrophobicContact CD2-CB 4.16Å; F310-F341 HydrophobicContact CD2-CG 4.38Å; F310-F341 AromaticContact CE1-CD1 3.7Å; F310-F341 HydrophobicContact CE1-CD1 3.7Å; F310-F341 AromaticContact CE1-CE1 4Å; F310-F341 HydrophobicContact CE1-CE1 4Å; F310-F341 HydrophobicContact CE1-CG 4.14Å; F310-F341 HydrophobicContact CG-CB 3.93Å; F310-F341 HydrophobicContact CG-CD1 4.12Å; F310-F341 AromaticContact CG-CD2 3.89Å; F310-F341 HydrophobicContact CG-CD2 3.89Å; F310-F341 HydrophobicContact CG-CE2 4.44Å; F310-F341 AromaticContact CG-CG 3.69Å; F310-F341 HydrophobicContact CG-CG 3.69Å; F310-F341 HydrophobicContact CZ-CD1 4.46Å; L313-F341 HydrophobicContact CD2-CE1 4.21Å; L313-F341 HydrophobicContact CD2-CE2 4.44Å; L313-F341 HydrophobicContact CD2-CZ 3.72Å; L314-F341 HydrophobicContact CD1-CE2 4.24Å; L314-F341 HydrophobicContact CD2-CE2 3.86Å; L314-F341 HydrophobicContact CG-CE2 3.91Å; L325-F341 HydrophobicContact CD1-CE1 3.86Å; L325-F341 HydrophobicContact CD1-CZ 4.12Å; I327-F341 HydrophobicContact CD1-CD1 4.41Å; I327-F341 HydrophobicContact CD1-CE1 4.3Å; Q337-F341 WeakPolarHBondContact O-CB 3.4Å; Q337-F341 PolarHBondContact O-N 3.06Å; V338-F341 PolarHBondContact O-N 2.79Å; F341-Q343 PolarHBondContact O-N 3.11Å; F341-N344 PolarHBondContact O-N 2.93Å; F341-H345 HydrophobicContact CD2-CB 4.19Å; F341-H345 AromaticContact CD2-CD2 3.97Å; F341-H345 HydrophobicContact CE2-CB 3.98Å; F341-H345 WeakPolarHBondContact O-CB 3.21Å; F341-H345 PolarHBondContact O-N 2.86Å; F341-Y349 HydrophobicContact CE2-CE2 4.46Å; F341-Y349 AromaticContact CZ-CE2 3.72Å; F341-Y349 HydrophobicContact CZ-CE2 3.72Å
342	L	98.1	Very high	97.3	Very high	39 Å²	39	60.8 Å²	60.8	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-40.7	-179.8	-69.8	-176.9	0	0	0	112.3	I327 V338 S339 G346 V352	I327-L342 HydrophobicContact CD1-CD2 3.79Å; I327-L342 HydrophobicContact CD1-CG 4.33Å; V338-L342 HydrophobicContact CG1-CD1 4.05Å; V338-L342 HydrophobicContact CG1-CG 4.41Å; V338-L342 WeakPolarHBondContact O-CG 3.11Å; V338-L342 PolarHBondContact O-N 2.99Å; S339-L342 PolarHBondContact O-N 3.4Å; L342-G346 VanDerWaalsContact O-CA 3.26Å; L342-G346 WeakPolarHBondContact O-CA 3.38Å; L342-G346 PolarHBondContact O-N 3.19Å; L342-V352 HydrophobicContact CD2-CG1 3.57Å
343	Q	98	Very high	97.4	Very high	159 Å²	159	60.6 Å²	60.6	74%	0.743	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-43.8	176.6	-175.1	177.8	13.4	0	0	112	S339 F341	S339-Q343 WeakPolarHBondContact O-CB 3.33Å; S339-Q343 PolarHBondContact O-N 3.1Å; F341-Q343 PolarHBondContact O-N 3.11Å
344	N	97.9	Very high	97.5	Very high	104 Å²	104	59 Å²	59	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-82.6	-30	-174.1	-67.7	-24.2	0	0	0	113.3	S340 F341	S340-N344 WeakPolarHBondContact O-CB 3.43Å; S340-N344 VanDerWaalsContact O-CG 3.28Å; S340-N344 PolarHBondContact O-N 3.13Å; S340-N344 VanDerWaalsContact O-N 3.1Å; S340-N344 PolarHBondContact O-ND2 3.22Å; F341-N344 PolarHBondContact O-N 2.93Å
345	H	98.1	Very high	97.6	Very high	64 Å²	64	59.4 Å²	59.4	30%	0.296	32%	0.319	S	S	.	.	H	α-helix	trans	-136.1	-6.9	-167	-56.9	-53.9	0	0	0	115.2	L314 F341 S347 L348 Y349	L314-H345 VanDerWaalsContact CD1-CD2 3.47Å; L314-H345 WeakPolarHBondContact CD1-CD2 3.28Å; L314-H345 HydrophobicContact CD2-CB 3.81Å; F341-H345 HydrophobicContact CD2-CB 4.19Å; F341-H345 AromaticContact CD2-CD2 3.97Å; F341-H345 HydrophobicContact CE2-CB 3.98Å; F341-H345 WeakPolarHBondContact O-CB 3.21Å; F341-H345 PolarHBondContact O-N 2.86Å; H345-S347 PolarHBondContact O-N 3.28Å; H345-L348 HydrophobicContact CB-CD1 4.11Å; H345-L348 VanDerWaalsContact O-CB 3.32Å; H345-L348 WeakPolarHBondContact O-CB 3.21Å; H345-L348 WeakPolarHBondContact O-CG 3.19Å; H345-L348 PolarHBondContact O-N 2.91Å; H345-Y349 WeakPolarHBondContact O-CD2 3.48Å
346	G	97.3	Very high	97.5	Very high	11 Å²	11	64.4 Å²	64.4	11%	0.113	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-57.3	-36.3	-178.3	0	0	0	0	0	113.2	L342 L348 Y349	L342-G346 VanDerWaalsContact O-CA 3.26Å; L342-G346 WeakPolarHBondContact O-CA 3.38Å; L342-G346 PolarHBondContact O-N 3.19Å; G346-L348 PolarHBondContact O-N 2.56Å; G346-Y349 PolarHBondContact O-N 2.98Å; G346-Y349 VanDerWaalsContact O-N 3.16Å
347	S	97.9	Very high	97.4	Very high	110 Å²	110	57.9 Å²	57.9	77%	0.769	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-68.6	-12.1	178.8	60.1	0	0	0	0	115	H345 Y349	H345-S347 PolarHBondContact O-N 3.28Å; S347-Y349 VanDerWaalsContact C-N 3.28Å
348	L	98.1	Very high	97.2	Very high	87 Å²	87	62.1 Å²	62.1	46%	0.455	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-73.8	-24.5	173.5	-60.2	176.8	0	0	0	112	L314 K320 N321 H345 G346	L314-L348 HydrophobicContact CD2-CD1 4.27Å; K320-L348 CarbonylContact C-O 3.4Å; K320-L348 HydrophobicContact CB-CB 4.06Å; K320-L348 WeakPolarHBondContact CB-O 3.42Å; K320-L348 HydrophobicContact CG-CB 4.41Å; N321-L348 PolarHBondContact N-O 3.02Å; H345-L348 HydrophobicContact CB-CD1 4.11Å; H345-L348 VanDerWaalsContact O-CB 3.32Å; H345-L348 WeakPolarHBondContact O-CB 3.21Å; H345-L348 WeakPolarHBondContact O-CG 3.19Å; H345-L348 PolarHBondContact O-N 2.91Å; G346-L348 PolarHBondContact O-N 2.56Å
349	Y	98.3	Very high	96.8	Very high	12 Å²	12	67.3 Å²	67.3	5%	0.047	35%	0.352	C	S	.	.	S	Bend	trans	-88.8	153.2	-177.1	-62.4	-90.3	0	0	0	110.6	L314 K320 L323 L325 F341 H345 G346 S347 D351	L314-Y349 HydrophobicContact CD2-CE2 4.43Å; K320-Y349 HydrophobicContact CB-CD1 4.3Å; K320-Y349 HydrophobicContact CB-CE1 4.34Å; K320-Y349 HydrophobicContact CD-CE1 3.82Å; K320-Y349 HydrophobicContact CG-CE1 4.45Å; K320-Y349 WeakPolarHBondContact O-CA 3.3Å; L323-Y349 HydrophobicContact CB-CD1 3.82Å; L323-Y349 HydrophobicContact CB-CE1 4.27Å; L323-Y349 HydrophobicContact CD1-CD1 4.42Å; L323-Y349 HydrophobicContact CD1-CE1 4.06Å; L325-Y349 HydrophobicContact CD1-CD1 3.75Å; L325-Y349 HydrophobicContact CD1-CD2 3.64Å; L325-Y349 HydrophobicContact CD1-CE1 3.84Å; L325-Y349 HydrophobicContact CD1-CE2 3.73Å; L325-Y349 HydrophobicContact CD1-CG 3.66Å; L325-Y349 HydrophobicContact CD2-CD1 3.7Å; L325-Y349 HydrophobicContact CD2-CE1 3.71Å; L325-Y349 HydrophobicContact CD2-CG 4.39Å; L325-Y349 HydrophobicContact CG-CD1 3.56Å; L325-Y349 HydrophobicContact CG-CD2 4.26Å; L325-Y349 HydrophobicContact CG-CE1 3.94Å; L325-Y349 HydrophobicContact CG-CG 3.74Å; F341-Y349 HydrophobicContact CE2-CE2 4.46Å; F341-Y349 AromaticContact CZ-CE2 3.72Å; F341-Y349 HydrophobicContact CZ-CE2 3.72Å; H345-Y349 WeakPolarHBondContact O-CD2 3.48Å; G346-Y349 PolarHBondContact O-N 2.98Å; G346-Y349 VanDerWaalsContact O-N 3.16Å; S347-Y349 VanDerWaalsContact C-N 3.28Å; Y349-D351 VanDerWaalsContact C-N 3.3Å; Y349-D351 PolarHBondContact O-N 3.24Å
350	L	97.5	Very high	96.1	Very high	85 Å²	85	73.8 Å²	73.8	45%	0.445	38%	0.378	S	S	.	.	S	Bend	trans	-64.1	-38.2	-178.2	-178.1	62.6	0	0	0	112.2	L292 L323 K324	L292-L350 HydrophobicContact CD1-CD2 3.47Å; L292-L350 VanDerWaalsContact CD1-CD2 3.47Å; L292-L350 HydrophobicContact CG-CD2 4.26Å; L323-L350 WeakPolarHBondContact O-CB 3.34Å; L323-L350 PolarHBondContact O-N 3.08Å; K324-L350 HydrophobicContact CG-CB 4.16Å; K324-L350 HydrophobicContact CG-CD2 4.17Å; K324-L350 HydrophobicContact CG-CG 4.39Å
351	D	97.8	Very high	95.7	Very high	79 Å²	79	73.2 Å²	73.2	42%	0.422	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	151.8	177.1	-171.3	24.3	0	0	0	109.2	K324 L325 Y349	K324-D351 CarbonylContact C-O 3.49Å; K324-D351 VanDerWaalsContact CA-O 3.27Å; K324-D351 WeakPolarHBondContact CA-O 3.07Å; K324-D351 HydrophobicContact CB-CB 4.26Å; K324-D351 HydrophobicContact CD-CB 3.98Å; K324-D351 HydrophobicContact CG-CB 3.85Å; L325-D351 PolarHBondContact N-O 2.73Å; Y349-D351 VanDerWaalsContact C-N 3.3Å; Y349-D351 PolarHBondContact O-N 3.24Å
352	V	98.1	Very high	95.3	Very high	46 Å²	46	77.2 Å²	77.2	28%	0.279	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	125	179	179.4	0	0	0	0	109.5	L325 L342	L325-V352 HydrophobicContact CB-CG1 4.3Å; L325-V352 HydrophobicContact CB-CG2 4.2Å; L325-V352 HydrophobicContact CD1-CG2 4.32Å; L325-V352 HydrophobicContact CG-CG2 4.42Å; L325-V352 CarbonylContact O-C 3.5Å; L325-V352 WeakPolarHBondContact O-CA 3.32Å; L342-V352 HydrophobicContact CD2-CG1 3.57Å
353	K	97.8	Very high	94.8	Very high	85 Å²	85	75.6 Å²	75.6	37%	0.37	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.7	166.4	-175.7	169.8	178.2	-176.8	0	109	L325 F326 I327 M369 M373	L325-K353 PolarHBondContact O-N 2.81Å; F326-K353 CarbonylContact C-O 3.56Å; F326-K353 VanDerWaalsContact CA-O 3.26Å; F326-K353 WeakPolarHBondContact CA-O 3.41Å; F326-K353 HydrophobicContact CD2-CB 4.16Å; F326-K353 HydrophobicContact CD2-CD 3.97Å; F326-K353 HydrophobicContact CD2-CG 4.09Å; F326-K353 HydrophobicContact CE2-CD 3.94Å; F326-K353 HydrophobicContact CE2-CG 4.24Å; I327-K353 PolarHBondContact N-O 2.86Å; K353-M369 PolarHBondContact NZ-SD 3.36Å; K353-M373 HydrophobicContact CB-SD 4.44Å
354	S	97.1	Very high	94.6	Very high	32 Å²	32	68.3 Å²	68.3	22%	0.224	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.3	176.2	-164.2	0	0	0	0	109.1	I327	I327-S354 CarbonylContact O-C 3.3Å; I327-S354 VanDerWaalsContact O-CA 3.29Å; I327-S354 WeakPolarHBondContact O-CA 3.49Å
355	I	97.1	Very high	94.5	Very high	9 Å²	9	67 Å²	67	5%	0.046	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.6	169.9	-53.3	-58.5	0	0	0	106.8	F326 I327 N329 E359 M361 M369	F326-I355 HydrophobicContact CE2-CG1 4.2Å; F326-I355 HydrophobicContact CZ-CG1 3.83Å; I327-I355 PolarHBondContact O-N 3.14Å; N329-I355 PolarHBondContact N-O 3.28Å; I355-E359 WeakPolarHBondContact CA-OE1 3.39Å; I355-E359 HydrophobicContact CG2-CB 3.95Å; I355-M361 HydrophobicContact CB-CE 4.01Å; I355-M361 HydrophobicContact CD1-CE 4.39Å; I355-M361 HydrophobicContact CG1-CE 3.64Å; I355-M361 HydrophobicContact CG2-CB 4.32Å; I355-M361 HydrophobicContact CG2-CE 3.65Å; I355-M369 HydrophobicContact CD1-SD 4.34Å
356	R	95.2	Very high	94.3	Very high	130 Å²	130	64 Å²	64	49%	0.491	33%	0.331	S	S	.	.			trans	-91.1	162.4	-177.9	-59.2	-177.2	173.5	-178.8	-3.4	112.2	N329 E358 E359	N329-R356 CarbonylContact O-C 3.59Å; N329-R356 VanDerWaalsContact O-C 3.3Å; R356-E358 WeakPolarHBondContact CB-OE2 3.34Å; R356-E358 PolarHBondContact O-N 3.04Å; R356-E359 PolarHBondContact N-OE1 3.01Å; R356-E359 WeakPolarHBondContact O-CB 3.32Å; R356-E359 PolarHBondContact O-N 2.92Å; R356-E359 VanDerWaalsContact O-N 3.08Å
357	P	93.1	Very high	94.3	Very high	19 Å²	19	63.6 Å²	63.6	12%	0.123	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-57.9	-30.2	178.4	-26.5	36.1	0	0	0	113.6	N329 P332 E335 E359 E360	N329-P357 HydrophobicContact CB-CG 4.34Å; N329-P357 WeakPolarHBondContact ND2-CG 3.33Å; N329-P357 VanDerWaalsContact O-CA 3.29Å; N329-P357 WeakPolarHBondContact O-CA 3.45Å; N329-P357 WeakPolarHBondContact O-CD 3.33Å; N329-P357 WeakPolarHBondContact O-CG 3.47Å; P332-P357 HydrophobicContact CG-CB 3.86Å; P332-P357 HydrophobicContact CG-CG 4.38Å; E335-P357 WeakPolarHBondContact OE2-CD 3.22Å; P357-E359 PolarHBondContact O-N 3.41Å; P357-E360 PolarHBondContact O-N 3.01Å
358	E	91.4	Very high	94.2	Very high	131 Å²	131	58.7 Å²	58.7	61%	0.612	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-71.8	-13.1	-179.4	-51.9	81.9	-166.2	0	0	113.9	R356 E360	R356-E358 WeakPolarHBondContact CB-OE2 3.34Å; R356-E358 PolarHBondContact O-N 3.04Å; E358-E360 VanDerWaalsContact C-N 3.27Å
359	E	90.7	Very high	94.1	Very high	109 Å²	109	58 Å²	58	51%	0.509	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-82.5	-4.5	177.9	-64	177.5	-114.1	0	0	112.7	I355 R356 P357 M361	I355-E359 WeakPolarHBondContact CA-OE1 3.39Å; I355-E359 HydrophobicContact CG2-CB 3.95Å; R356-E359 PolarHBondContact N-OE1 3.01Å; R356-E359 WeakPolarHBondContact O-CB 3.32Å; R356-E359 PolarHBondContact O-N 2.92Å; R356-E359 VanDerWaalsContact O-N 3.08Å; P357-E359 PolarHBondContact O-N 3.41Å; E359-M361 VanDerWaalsContact C-N 3.32Å; E359-M361 PolarHBondContact O-N 3.36Å
360	E	83.1	Confident	94	Very high	181 Å²	181	57.4 Å²	57.4	85%	0.846	28%	0.284	S	S	*	.			trans	45.2	46.9	173.1	-64.6	-170.6	169.5	0	0	114.7	P357 E358	P357-E360 PolarHBondContact O-N 3.01Å; E358-E360 VanDerWaalsContact C-N 3.27Å
361	M	89.1	Confident	94	Very high	35 Å²	35	53.4 Å²	53.4	17%	0.172	26%	0.263	C	S	.	.			trans	-91.5	131.1	177.9	-172	170.5	53.6	0	0	111.6	F326 Q330 I355 E359 D365 A366 M369	F326-M361 HydrophobicContact CZ-CE 4.34Å; Q330-M361 PolarHBondContact NE2-O 2.86Å; I355-M361 HydrophobicContact CB-CE 4.01Å; I355-M361 HydrophobicContact CD1-CE 4.39Å; I355-M361 HydrophobicContact CG1-CE 3.64Å; I355-M361 HydrophobicContact CG2-CB 4.32Å; I355-M361 HydrophobicContact CG2-CE 3.65Å; E359-M361 VanDerWaalsContact C-N 3.32Å; E359-M361 PolarHBondContact O-N 3.36Å; M361-D365 HydrophobicContact CG-CB 3.88Å; M361-D365 HydrophobicContact SD-CB 4.33Å; M361-A366 VanDerWaalsContact CE-CA 3.42Å; M361-A366 HydrophobicContact CE-CB 3.5Å; M361-A366 VanDerWaalsContact CE-CB 3.5Å; M361-A366 HydrophobicContact CG-CB 4.44Å; M361-A366 HydrophobicContact SD-CB 4.34Å; M361-M369 HydrophobicContact SD-CE 4.27Å; M361-M369 HydrophobicContact SD-SD 4.36Å
362	D	89.6	Confident	93.8	Very high	94 Å²	94	50.6 Å²	50.6	50%	0.503	25%	0.248	S	C	.	.			trans	-61.8	154	175.1	177.6	62.6	0	0	0	112.7	Q330 A364 D365 A366	Q330-D362 VanDerWaalsContact NE2-C 3.31Å; D362-A364 PolarHBondContact O-N 2.95Å; D362-A364 VanDerWaalsContact OD2-CB 3.32Å; D362-A364 WeakPolarHBondContact OD2-CB 3.47Å; D362-A364 PolarHBondContact OD2-N 3.47Å; D362-D365 HydrophobicContact CB-CB 4.38Å; D362-D365 PolarHBondContact O-N 3.36Å; D362-A366 WeakPolarHBondContact O-CB 3.49Å; D362-A366 PolarHBondContact O-N 3.16Å
363	G	88.6	Confident	93.7	Very high	6 Å²	6	50.1 Å²	50.1	6%	0.062	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-36.6	-176.6	0	0	0	0	0	113.7	Q330 R367	Q330-G363 VanDerWaalsContact NE2-CA 3.34Å; G363-R367 WeakPolarHBondContact O-CG 3.5Å; G363-R367 PolarHBondContact O-N 3.46Å
364	A	93.8	Very high	93.6	Very high	5 Å²	5	46 Å²	46	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-70.2	-46.7	176.4	0	0	0	0	0	110.9	D362 A366 R367 D368 F477 P484	D362-A364 PolarHBondContact O-N 2.95Å; D362-A364 VanDerWaalsContact OD2-CB 3.32Å; D362-A364 WeakPolarHBondContact OD2-CB 3.47Å; D362-A364 PolarHBondContact OD2-N 3.47Å; A364-A366 VanDerWaalsContact C-N 3.27Å; A364-A366 PolarHBondContact O-N 3.01Å; A364-R367 PolarHBondContact O-N 3.39Å; A364-R367 VanDerWaalsContact O-N 3.09Å; A364-D368 PolarHBondContact O-N 2.87Å; A364-F477 HydrophobicContact CB-CB 3.94Å; A364-P484 HydrophobicContact CB-CB 4.28Å; A364-P484 HydrophobicContact CB-CG 4.12Å
365	D	94.2	Very high	93.5	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	22%	0.219	S	C	.	.	H	α-helix	trans	-60.5	-37.7	178.7	-72.5	-18.8	0	0	0	111.8	M361 D362 D368 M369	M361-D365 HydrophobicContact CG-CB 3.88Å; M361-D365 HydrophobicContact SD-CB 4.33Å; D362-D365 HydrophobicContact CB-CB 4.38Å; D362-D365 PolarHBondContact O-N 3.36Å; D365-D368 PolarHBondContact O-N 3.14Å; D365-M369 WeakPolarHBondContact O-CB 3.4Å; D365-M369 PolarHBondContact O-N 3.03Å
366	A	95.5	Very high	93.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-45.4	174.3	0	0	0	0	0	112.4	F298 S328 M361 D362 A364 M369 A370	F298-A366 HydrophobicContact CD1-CB 4.31Å; F298-A366 HydrophobicContact CE1-CB 4.22Å; S328-A366 WeakPolarHBondContact OG-CB 3.47Å; M361-A366 VanDerWaalsContact CE-CA 3.42Å; M361-A366 HydrophobicContact CE-CB 3.5Å; M361-A366 VanDerWaalsContact CE-CB 3.5Å; M361-A366 HydrophobicContact CG-CB 4.44Å; M361-A366 HydrophobicContact SD-CB 4.34Å; D362-A366 WeakPolarHBondContact O-CB 3.49Å; D362-A366 PolarHBondContact O-N 3.16Å; A364-A366 VanDerWaalsContact C-N 3.27Å; A364-A366 PolarHBondContact O-N 3.01Å; A366-M369 PolarHBondContact O-N 3.14Å; A366-A370 WeakPolarHBondContact O-CB 3.27Å; A366-A370 PolarHBondContact O-N 3.39Å
367	R	96.4	Very high	93.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-67.9	-42.5	178.8	-69.2	-177.4	-170.5	-81.7	5.3	111.3	F298 G363 A364 M369 A370 F371 N385 D387 F477 D485	F298-R367 HydrophobicContact CD1-CG 3.91Å; F298-R367 HydrophobicContact CD2-CG 4.43Å; F298-R367 VanDerWaalsContact CD2-NH1 3.33Å; F298-R367 HydrophobicContact CE1-CB 4.2Å; F298-R367 HydrophobicContact CE1-CG 3.6Å; F298-R367 HydrophobicContact CE2-CG 4.16Å; F298-R367 HydrophobicContact CG-CG 4.32Å; F298-R367 HydrophobicContact CZ-CB 4.22Å; F298-R367 HydrophobicContact CZ-CG 3.74Å; G363-R367 WeakPolarHBondContact O-CG 3.5Å; G363-R367 PolarHBondContact O-N 3.46Å; A364-R367 PolarHBondContact O-N 3.39Å; A364-R367 VanDerWaalsContact O-N 3.09Å; R367-M369 PolarHBondContact O-N 2.85Å; R367-A370 PolarHBondContact O-N 3.04Å; R367-F371 WeakPolarHBondContact O-CD2 3.29Å; R367-F371 PolarHBondContact O-N 3.22Å; R367-N385 PolarHBondContact NH1-ND2 3.12Å; R367-N385 PolarHBondContact NH1-OD1 3.06Å; R367-D387 IonicContact CZ-OD1 3.79Å; R367-D387 IonicContact CZ-OD2 2.97Å; R367-D387 IonicContact NH1-OD1 3.34Å; R367-D387 PolarHBondContact NH1-OD1 3.22Å; R367-D387 IonicContact NH1-OD2 3.89Å; R367-D387 VanDerWaalsContact NH2-CG 3.28Å; R367-D387 IonicContact NH2-OD1 3.33Å; R367-D387 PolarHBondContact NH2-OD1 3.24Å; R367-D387 IonicContact NH2-OD2 2.99Å; R367-D387 PolarHBondContact NH2-OD2 2.92Å; R367-F477 HydrophobicContact CB-CB 4.36Å; R367-F477 HydrophobicContact CB-CD1 3.86Å; R367-F477 HydrophobicContact CB-CD2 3.6Å; R367-F477 HydrophobicContact CB-CE1 4.02Å; R367-F477 HydrophobicContact CB-CE2 3.79Å; R367-F477 HydrophobicContact CB-CG 3.66Å; R367-F477 HydrophobicContact CB-CZ 4.01Å; R367-F477 VanDerWaalsContact CD-CD1 3.45Å; R367-F477 HydrophobicContact CG-CD1 4.31Å; R367-F477 HydrophobicContact CG-CE1 4.37Å; R367-D485 IonicContact CZ-OD1 3.3Å; R367-D485 IonicContact NE-OD1 3.54Å
368	D	96.1	Very high	93.4	Very high	8 Å²	8	55 Å²	55	4%	0.043	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-42.1	175.4	-85.6	-43.1	0	0	0	111.8	A364 D365 A370 F371 D372 Y474 Q475 L476 F477	A364-D368 PolarHBondContact O-N 2.87Å; D365-D368 PolarHBondContact O-N 3.14Å; D368-A370 PolarHBondContact O-N 3.48Å; D368-F371 PolarHBondContact O-N 3.18Å; D368-D372 WeakPolarHBondContact O-CB 3.23Å; D368-D372 PolarHBondContact O-N 3.11Å; D368-Y474 WeakPolarHBondContact CB-O 3Å; D368-Y474 VanDerWaalsContact CG-O 3.24Å; D368-Q475 WeakPolarHBondContact OD2-CA 3.34Å; D368-L476 PolarHBondContact OD1-N 3.47Å; D368-L476 PolarHBondContact OD2-N 3.2Å; D368-F477 WeakPolarHBondContact OD1-CD2 3.27Å; D368-F477 PolarHBondContact OD1-N 2.96Å; D368-F477 PolarHBondContact OD2-N 3.4Å
369	M	95.8	Very high	93.5	Very high	72 Å²	72	55 Å²	55	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-40.3	174.3	-176.8	178.5	-77.3	0	0	112.3	F326 K353 I355 M361 D365 A366 R367 D372 M373	F326-M369 HydrophobicContact CE2-CB 4.47Å; F326-M369 HydrophobicContact CE2-CG 3.93Å; F326-M369 HydrophobicContact CE2-SD 3.99Å; F326-M369 HydrophobicContact CZ-CB 4.27Å; F326-M369 HydrophobicContact CZ-CG 4.17Å; F326-M369 HydrophobicContact CZ-SD 4.21Å; K353-M369 PolarHBondContact NZ-SD 3.36Å; I355-M369 HydrophobicContact CD1-SD 4.34Å; M361-M369 HydrophobicContact SD-CE 4.27Å; M361-M369 HydrophobicContact SD-SD 4.36Å; D365-M369 WeakPolarHBondContact O-CB 3.4Å; D365-M369 PolarHBondContact O-N 3.03Å; A366-M369 PolarHBondContact O-N 3.14Å; R367-M369 PolarHBondContact O-N 2.85Å; M369-D372 WeakPolarHBondContact O-CB 3.34Å; M369-D372 PolarHBondContact O-N 3.28Å; M369-M373 PolarHBondContact O-N 2.73Å
370	A	96.7	Very high	93.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-43.1	177.7	0	0	0	0	0	111.6	F298 F326 A366 R367 D368 D372 M373 F383	F298-A370 HydrophobicContact CE1-CB 4.13Å; F298-A370 HydrophobicContact CZ-CB 3.62Å; F326-A370 HydrophobicContact CB-CB 4.38Å; F326-A370 HydrophobicContact CD1-CB 3.48Å; F326-A370 VanDerWaalsContact CD1-CB 3.48Å; F326-A370 HydrophobicContact CD2-CB 4.32Å; F326-A370 HydrophobicContact CE1-CB 3.71Å; F326-A370 HydrophobicContact CG-CB 3.8Å; F326-A370 HydrophobicContact CZ-CB 4.23Å; A366-A370 WeakPolarHBondContact O-CB 3.27Å; A366-A370 PolarHBondContact O-N 3.39Å; R367-A370 PolarHBondContact O-N 3.04Å; D368-A370 PolarHBondContact O-N 3.48Å; A370-D372 VanDerWaalsContact C-N 3.25Å; A370-D372 PolarHBondContact O-N 3.23Å; A370-M373 WeakPolarHBondContact O-CB 3.18Å; A370-M373 PolarHBondContact O-N 3.07Å; A370-F383 VanDerWaalsContact C-CE2 3.46Å; A370-F383 HydrophobicContact CB-CE2 3.7Å; A370-F383 HydrophobicContact CB-CZ 3.68Å; A370-F383 VanDerWaalsContact O-CE2 3.27Å; A370-F383 WeakPolarHBondContact O-CE2 3.24Å
371	F	96.4	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-40.3	173.3	-91.7	-125.4	0	0	0	111.1	R367 D368 M373 C374 R375 F383 Y460 V462 L467 L476 F477 F488	R367-F371 WeakPolarHBondContact O-CD2 3.29Å; R367-F371 PolarHBondContact O-N 3.22Å; D368-F371 PolarHBondContact O-N 3.18Å; F371-M373 VanDerWaalsContact C-N 3.31Å; F371-M373 PolarHBondContact O-N 2.88Å; F371-C374 PolarHBondContact O-N 3.44Å; F371-R375 WeakPolarHBondContact O-CB 3.41Å; F371-R375 PolarHBondContact O-N 3.37Å; F371-F383 AromaticContact CD2-CD1 3.85Å; F371-F383 HydrophobicContact CD2-CD1 3.85Å; F371-F383 AromaticContact CD2-CE1 3.5Å; F371-F383 HydrophobicContact CD2-CE1 3.5Å; F371-F383 HydrophobicContact CD2-CE2 4.3Å; F371-F383 HydrophobicContact CD2-CG 4.39Å; F371-F383 AromaticContact CD2-CZ 3.74Å; F371-F383 HydrophobicContact CD2-CZ 3.74Å; F371-F383 AromaticContact CE2-CD1 3.52Å; F371-F383 HydrophobicContact CE2-CD1 3.52Å; F371-F383 AromaticContact CE2-CE1 3.21Å; F371-F383 HydrophobicContact CE2-CE1 3.21Å; F371-F383 HydrophobicContact CE2-CG 4.44Å; F371-F383 AromaticContact CE2-CZ 3.93Å; F371-F383 HydrophobicContact CE2-CZ 3.93Å; F371-F383 HydrophobicContact CZ-CD1 4.06Å; F371-F383 HydrophobicContact CZ-CE1 4.15Å; F371-Y460 HydrophobicContact CE2-CE2 4.45Å; F371-Y460 HydrophobicContact CZ-CE2 4.1Å; F371-V462 HydrophobicContact CE1-CG2 4.38Å; F371-V462 HydrophobicContact CZ-CG2 4.11Å; F371-L467 HydrophobicContact CD1-CD1 3.99Å; F371-L467 HydrophobicContact CD1-CD2 3.45Å; F371-L467 VanDerWaalsContact CD1-CD2 3.45Å; F371-L467 HydrophobicContact CD1-CG 4.37Å; F371-L467 HydrophobicContact CE1-CD1 4.49Å; F371-L467 HydrophobicContact CE1-CD2 3.66Å; F371-L467 HydrophobicContact CG-CD1 4.49Å; F371-L476 HydrophobicContact CD1-CD1 3.84Å; F371-L476 HydrophobicContact CE1-CD1 4.18Å; F371-F477 HydrophobicContact CD1-CE2 4.14Å; F371-F477 AromaticContact CD2-CE2 3.65Å; F371-F477 HydrophobicContact CD2-CE2 3.65Å; F371-F477 HydrophobicContact CD2-CZ 4.01Å; F371-F477 HydrophobicContact CE1-CE2 4.06Å; F371-F477 HydrophobicContact CE1-CZ 4.2Å; F371-F477 AromaticContact CE2-CE2 3.53Å; F371-F477 HydrophobicContact CE2-CE2 3.53Å; F371-F477 AromaticContact CE2-CZ 3.4Å; F371-F477 HydrophobicContact CE2-CZ 3.4Å; F371-F477 AromaticContact CG-CE2 3.96Å; F371-F477 HydrophobicContact CG-CE2 3.96Å; F371-F477 AromaticContact CZ-CE2 3.76Å; F371-F477 HydrophobicContact CZ-CE2 3.76Å; F371-F477 AromaticContact CZ-CZ 3.52Å; F371-F477 HydrophobicContact CZ-CZ 3.52Å; F371-F488 HydrophobicContact CE1-CD2 4.33Å; F371-F488 AromaticContact CE1-CE2 3.64Å; F371-F488 HydrophobicContact CE1-CE2 3.64Å; F371-F488 HydrophobicContact CE1-CZ 4.26Å; F371-F488 HydrophobicContact CZ-CD2 4.38Å; F371-F488 AromaticContact CZ-CE2 3.79Å; F371-F488 HydrophobicContact CZ-CE2 3.79Å; F371-F488 HydrophobicContact CZ-CZ 4.09Å
372	D	94.6	Very high	95	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.112	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-35.7	177.3	-103	1.7	0	0	0	114	D368 M369 A370 C374 R375 K376 Y474	D368-D372 WeakPolarHBondContact O-CB 3.23Å; D368-D372 PolarHBondContact O-N 3.11Å; M369-D372 WeakPolarHBondContact O-CB 3.34Å; M369-D372 PolarHBondContact O-N 3.28Å; A370-D372 VanDerWaalsContact C-N 3.25Å; A370-D372 PolarHBondContact O-N 3.23Å; D372-C374 PolarHBondContact O-N 3.08Å; D372-R375 PolarHBondContact O-N 3.36Å; D372-R375 IonicContact OD1-CZ 3.52Å; D372-R375 IonicContact OD1-NE 3.44Å; D372-R375 IonicContact OD1-NH1 2.73Å; D372-R375 PolarHBondContact OD1-NH1 2.95Å; D372-K376 WeakPolarHBondContact O-CB 3.48Å; D372-K376 WeakPolarHBondContact O-CG 3.21Å; D372-K376 PolarHBondContact O-N 2.93Å; D372-K376 VanDerWaalsContact OD2-CE 3.27Å; D372-K376 WeakPolarHBondContact OD2-CE 3.47Å; D372-K376 IonicContact OD2-NZ 2.83Å; D372-K376 PolarHBondContact OD2-NZ 2.97Å; D372-Y474 WeakPolarHBondContact OD1-CD1 3.23Å; D372-Y474 VanDerWaalsContact OD1-CE1 3.23Å; D372-Y474 WeakPolarHBondContact OD1-CE1 3.3Å; D372-Y474 VanDerWaalsContact OD2-CD1 3.29Å; D372-Y474 WeakPolarHBondContact OD2-CD1 3.19Å
373	M	95.3	Very high	95.5	Very high	35 Å²	35	38.3 Å²	38.3	17%	0.172	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-40.1	175.3	-174.4	177	167	0	0	111.1	V294 K324 F326 K353 M369 A370 F371 D377	V294-M373 HydrophobicContact CG1-CG 4.42Å; V294-M373 HydrophobicContact CG1-SD 4.12Å; K324-M373 HydrophobicContact CB-CE 3.83Å; K324-M373 HydrophobicContact CD-CE 3.99Å; F326-M373 HydrophobicContact CB-SD 4.12Å; F326-M373 HydrophobicContact CD2-SD 4.14Å; K353-M373 HydrophobicContact CB-SD 4.44Å; M369-M373 PolarHBondContact O-N 2.73Å; A370-M373 WeakPolarHBondContact O-CB 3.18Å; A370-M373 PolarHBondContact O-N 3.07Å; F371-M373 VanDerWaalsContact C-N 3.31Å; F371-M373 PolarHBondContact O-N 2.88Å; M373-D377 VanDerWaalsContact O-CB 3.28Å; M373-D377 WeakPolarHBondContact O-CB 3.27Å
374	C	95.6	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-81.9	-37.6	175	-175.3	0	0	0	0	112.8	V294 F371 D372 K376 D377 C380 F383 A464 L467	V294-C374 HydrophobicContact CB-CB 4.2Å; V294-C374 HydrophobicContact CG2-CB 4.03Å; F371-C374 PolarHBondContact O-N 3.44Å; D372-C374 PolarHBondContact O-N 3.08Å; C374-K376 VanDerWaalsContact C-N 3.33Å; C374-K376 PolarHBondContact O-N 2.7Å; C374-D377 PolarHBondContact O-N 3.2Å; C374-D377 VanDerWaalsContact O-O 3.11Å; C374-C380 HydrophobicContact CB-CB 4.01Å; C374-C380 WeakPolarHBondContact CB-SG 3.24Å; C374-C380 WeakPolarHBondContact O-CB 3.19Å; C374-C380 WeakPolarHBondContact SG-CB 3.48Å; C374-C380 CovalentContact SG-SG 2.05Å; C374-C380 PolarHBondContact SG-SG 3.21Å; C374-F383 HydrophobicContact CB-CB 4.11Å; C374-F383 HydrophobicContact CB-CD2 4.07Å; C374-A464 WeakPolarHBondContact SG-CB 3.35Å; C374-L467 HydrophobicContact CB-CD1 4.44Å
375	R	94.8	Very high	96.2	Very high	22 Å²	22	37.8 Å²	37.8	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-40.6	179.3	-177.5	-173.1	-74.6	142.3	-9.3	112.1	F371 D372 L467 Q468 L471 D473	F371-R375 WeakPolarHBondContact O-CB 3.41Å; F371-R375 PolarHBondContact O-N 3.37Å; D372-R375 PolarHBondContact O-N 3.36Å; D372-R375 IonicContact OD1-CZ 3.52Å; D372-R375 IonicContact OD1-NE 3.44Å; D372-R375 IonicContact OD1-NH1 2.73Å; D372-R375 PolarHBondContact OD1-NH1 2.95Å; R375-L467 HydrophobicContact CB-CB 4.26Å; R375-L467 HydrophobicContact CG-CB 4.4Å; R375-L467 PolarHBondContact NE-O 3.23Å; R375-Q468 WeakPolarHBondContact O-CG 3.44Å; R375-L471 PolarHBondContact NE-O 2.98Å; R375-L471 PolarHBondContact NH2-O 2.88Å; R375-D473 PolarHBondContact NH2-O 3.27Å
376	K	94.1	Very high	96.4	Very high	134 Å²	134	34.2 Å²	34.2	58%	0.583	16%	0.159	S	C	*	.	H	α-helix	trans	-83.4	-20.7	-177.7	-66.1	171.1	-172.2	163.3	0	112.9	D372 C374	D372-K376 WeakPolarHBondContact O-CB 3.48Å; D372-K376 WeakPolarHBondContact O-CG 3.21Å; D372-K376 PolarHBondContact O-N 2.93Å; D372-K376 VanDerWaalsContact OD2-CE 3.27Å; D372-K376 WeakPolarHBondContact OD2-CE 3.47Å; D372-K376 IonicContact OD2-NZ 2.83Å; D372-K376 PolarHBondContact OD2-NZ 2.97Å; C374-K376 VanDerWaalsContact C-N 3.33Å; C374-K376 PolarHBondContact O-N 2.7Å
377	D	95.1	Very high	96.5	Very high	31 Å²	31	34.4 Å²	34.4	17%	0.166	16%	0.161	C	C	.	.			trans	-88.3	112.8	178.5	-174.8	2.2	0	0	0	111.2	K324 M373 C374 E379 C380 Q468	K324-D377 IonicContact NZ-OD2 4Å; K324-D377 PolarHBondContact NZ-OD2 3.25Å; M373-D377 VanDerWaalsContact O-CB 3.28Å; M373-D377 WeakPolarHBondContact O-CB 3.27Å; C374-D377 PolarHBondContact O-N 3.2Å; C374-D377 VanDerWaalsContact O-O 3.11Å; D377-E379 PolarHBondContact O-N 3.05Å; D377-E379 WeakPolarHBondContact OD1-CB 3.34Å; D377-E379 PolarHBondContact OD1-N 3.46Å; D377-C380 HydrophobicContact CB-CB 4.04Å; D377-C380 WeakPolarHBondContact O-CB 3.4Å; D377-C380 PolarHBondContact O-N 3.03Å; D377-C380 VanDerWaalsContact O-N 3.16Å; D377-Q468 PolarHBondContact O-NE2 3.06Å
378	K	93.6	Very high	96.6	Very high	190 Å²	190	34.4 Å²	34.4	83%	0.826	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.5	179.3	-67.5	-174.9	179.2	178	0	113.3
379	E	95.4	Very high	96.7	Very high	133 Å²	133	35.3 Å²	35.3	62%	0.621	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.2	176.6	-59.9	-65.1	127.2	0	0	111.7	L292 D377 D381	L292-E379 VanDerWaalsContact CB-O 3.3Å; L292-E379 WeakPolarHBondContact CB-O 3.45Å; L292-E379 HydrophobicContact CD1-CB 4.27Å; D377-E379 PolarHBondContact O-N 3.05Å; D377-E379 WeakPolarHBondContact OD1-CB 3.34Å; D377-E379 PolarHBondContact OD1-N 3.46Å; E379-D381 PolarHBondContact O-N 2.91Å
380	C	97.4	Very high	96.8	Very high	5 Å²	5	32 Å²	32	3%	0.034	15%	0.148	C	C	.	.			trans	-69.1	123.1	176.2	-169	0	0	0	0	110.3	L292 C374 D377 Y382 A464	L292-C380 HydrophobicContact CD2-CB 4.37Å; C374-C380 HydrophobicContact CB-CB 4.01Å; C374-C380 WeakPolarHBondContact CB-SG 3.24Å; C374-C380 WeakPolarHBondContact O-CB 3.19Å; C374-C380 WeakPolarHBondContact SG-CB 3.48Å; C374-C380 CovalentContact SG-SG 2.05Å; C374-C380 PolarHBondContact SG-SG 3.21Å; D377-C380 HydrophobicContact CB-CB 4.04Å; D377-C380 WeakPolarHBondContact O-CB 3.4Å; D377-C380 PolarHBondContact O-N 3.03Å; D377-C380 VanDerWaalsContact O-N 3.16Å; C380-Y382 PolarHBondContact SG-O 2.92Å; C380-A464 HydrophobicContact CB-CB 4.37Å; C380-A464 WeakPolarHBondContact O-CB 3.32Å
381	D	98	Very high	96.9	Very high	58 Å²	58	32 Å²	32	31%	0.31	15%	0.148	S	C	.	.			trans	-96	-34.4	174.9	-70.1	-74.5	0	0	0	111.8	P291 L292 E379 A464	P291-D381 WeakPolarHBondContact CA-OD2 3.48Å; P291-D381 HydrophobicContact CB-CB 3.64Å; P291-D381 WeakPolarHBondContact CB-OD2 3.29Å; L292-D381 PolarHBondContact N-OD2 3.43Å; L292-D381 WeakPolarHBondContact O-CB 3.44Å; L292-D381 PolarHBondContact O-N 3.35Å; E379-D381 PolarHBondContact O-N 2.91Å; D381-A464 VanDerWaalsContact C-CB 3.42Å; D381-A464 VanDerWaalsContact O-CB 3.27Å; D381-A464 WeakPolarHBondContact O-CB 3.39Å; D381-A464 PolarHBondContact O-N 3.28Å
382	Y	98.6	Very high	96.9	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146	-177.4	-61.6	-88	0	0	0	112.9	P291 L292 V293 V294 C380 I402 L461 V462 K463	P291-Y382 HydrophobicContact CB-CD2 3.76Å; P291-Y382 HydrophobicContact CB-CE2 3.72Å; P291-Y382 HydrophobicContact CG-CE2 4.02Å; L292-Y382 PolarHBondContact O-N 3.06Å; V293-Y382 VanDerWaalsContact CA-O 3.32Å; V293-Y382 WeakPolarHBondContact CA-O 3.04Å; V294-Y382 PolarHBondContact N-O 3.25Å; C380-Y382 PolarHBondContact SG-O 2.92Å; Y382-I402 HydrophobicContact CD2-CD1 4.34Å; Y382-I402 HydrophobicContact CD2-CG1 4.09Å; Y382-I402 HydrophobicContact CE2-CG1 4.18Å; Y382-I402 HydrophobicContact CE2-CG2 3.86Å; Y382-I402 HydrophobicContact CG-CG1 4.32Å; Y382-L461 HydrophobicContact CD1-CD1 4.26Å; Y382-L461 HydrophobicContact CD1-CD2 3.72Å; Y382-L461 HydrophobicContact CD1-CG 3.87Å; Y382-L461 HydrophobicContact CE1-CD2 4.13Å; Y382-L461 HydrophobicContact CG-CD1 4.24Å; Y382-L461 HydrophobicContact CG-CD2 4.28Å; Y382-L461 HydrophobicContact CG-CG 4.35Å; Y382-V462 CarbonylContact C-O 3.58Å; Y382-V462 WeakPolarHBondContact CA-O 3.27Å; Y382-K463 HydrophobicContact CD1-CB 4.35Å; Y382-K463 HydrophobicContact CD1-CG 4.4Å; Y382-K463 HydrophobicContact CE1-CB 4.22Å; Y382-K463 HydrophobicContact CE1-CG 3.99Å
383	F	98.7	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.7	165.1	-177.9	-91.7	0	0	0	109.3	V294 F298 A370 F371 C374 N385 L461 V462 L467	V294-F383 HydrophobicContact CB-CD2 4.05Å; V294-F383 HydrophobicContact CG1-CD2 3.87Å; V294-F383 HydrophobicContact CG1-CE2 3.95Å; V294-F383 CarbonylContact O-C 3.6Å; V294-F383 WeakPolarHBondContact O-CA 3.38Å; F298-F383 HydrophobicContact CZ-CZ 4.43Å; A370-F383 VanDerWaalsContact C-CE2 3.46Å; A370-F383 HydrophobicContact CB-CE2 3.7Å; A370-F383 HydrophobicContact CB-CZ 3.68Å; A370-F383 VanDerWaalsContact O-CE2 3.27Å; A370-F383 WeakPolarHBondContact O-CE2 3.24Å; F371-F383 AromaticContact CD2-CD1 3.85Å; F371-F383 HydrophobicContact CD2-CD1 3.85Å; F371-F383 AromaticContact CD2-CE1 3.5Å; F371-F383 HydrophobicContact CD2-CE1 3.5Å; F371-F383 HydrophobicContact CD2-CE2 4.3Å; F371-F383 HydrophobicContact CD2-CG 4.39Å; F371-F383 AromaticContact CD2-CZ 3.74Å; F371-F383 HydrophobicContact CD2-CZ 3.74Å; F371-F383 AromaticContact CE2-CD1 3.52Å; F371-F383 HydrophobicContact CE2-CD1 3.52Å; F371-F383 AromaticContact CE2-CE1 3.21Å; F371-F383 HydrophobicContact CE2-CE1 3.21Å; F371-F383 HydrophobicContact CE2-CG 4.44Å; F371-F383 AromaticContact CE2-CZ 3.93Å; F371-F383 HydrophobicContact CE2-CZ 3.93Å; F371-F383 HydrophobicContact CZ-CD1 4.06Å; F371-F383 HydrophobicContact CZ-CE1 4.15Å; C374-F383 HydrophobicContact CB-CB 4.11Å; C374-F383 HydrophobicContact CB-CD2 4.07Å; F383-N385 HydrophobicContact CE1-CB 3.96Å; F383-L461 CarbonylContact O-C 3.58Å; F383-L461 WeakPolarHBondContact O-CA 3.47Å; F383-V462 HydrophobicContact CB-CB 4.44Å; F383-V462 PolarHBondContact N-O 3.23Å; F383-V462 PolarHBondContact O-N 3.36Å; F383-L467 HydrophobicContact CB-CD1 4.25Å
384	F	98.9	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	105.9	178.3	-173.9	-131.6	0	0	0	109.7	V293 V294 I295 G296 L386 L392 T397 L398 L401 V459 Y460 L461	V293-F384 HydrophobicContact CG1-CB 3.84Å; V294-F384 PolarHBondContact O-N 3.48Å; I295-F384 CarbonylContact C-O 3.54Å; I295-F384 VanDerWaalsContact CA-O 3.31Å; I295-F384 WeakPolarHBondContact CA-O 3.37Å; I295-F384 HydrophobicContact CD1-CD1 4.34Å; I295-F384 HydrophobicContact CG1-CB 4.33Å; I295-F384 HydrophobicContact CG1-CD1 4.21Å; I295-F384 HydrophobicContact CG2-CD1 4.07Å; G296-F384 PolarHBondContact N-O 2.8Å; F384-L386 HydrophobicContact CE1-CB 4.46Å; F384-L386 HydrophobicContact CE1-CD2 4.36Å; F384-L392 HydrophobicContact CE1-CD1 4.18Å; F384-L392 HydrophobicContact CZ-CD1 4.04Å; F384-T397 HydrophobicContact CZ-CG2 4.43Å; F384-L398 HydrophobicContact CB-CD1 4.28Å; F384-L398 HydrophobicContact CD1-CD1 4.21Å; F384-L398 HydrophobicContact CD2-CD1 4.32Å; F384-L398 HydrophobicContact CG-CD1 4.02Å; F384-L401 HydrophobicContact CD2-CD1 4.49Å; F384-L401 HydrophobicContact CE2-CD1 3.78Å; F384-V459 HydrophobicContact CE2-CG2 3.52Å; F384-V459 HydrophobicContact CZ-CG2 3.55Å; F384-Y460 WeakPolarHBondContact CD2-O 3.23Å; F384-L461 HydrophobicContact CB-CD1 3.82Å; F384-L461 HydrophobicContact CD2-CB 4.2Å; F384-L461 HydrophobicContact CD2-CD1 3.97Å; F384-L461 HydrophobicContact CG-CD1 4.23Å
385	N	98.7	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.8	173.2	-170.2	92.9	0	0	0	109.5	F298 R367 F383 D387 S458 V459 Y460	F298-N385 WeakPolarHBondContact CE2-OD1 3.47Å; R367-N385 PolarHBondContact NH1-ND2 3.12Å; R367-N385 PolarHBondContact NH1-OD1 3.06Å; F383-N385 HydrophobicContact CE1-CB 3.96Å; N385-D387 PolarHBondContact ND2-OD1 3.36Å; N385-S458 PolarHBondContact ND2-O 3.46Å; N385-V459 VanDerWaalsContact O-CA 3.3Å; N385-V459 WeakPolarHBondContact O-CA 3.36Å; N385-Y460 HydrophobicContact CB-CD1 4.16Å; N385-Y460 HydrophobicContact CB-CD2 3.69Å; N385-Y460 HydrophobicContact CB-CE1 3.86Å; N385-Y460 HydrophobicContact CB-CE2 3.35Å; N385-Y460 HydrophobicContact CB-CG 4.08Å; N385-Y460 VanDerWaalsContact CB-CZ 3.45Å; N385-Y460 VanDerWaalsContact CG-CZ 3.43Å; N385-Y460 PolarHBondContact N-O 2.85Å; N385-Y460 PolarHBondContact O-N 2.88Å; N385-Y460 PolarHBondContact OD1-OH 2.8Å
386	L	98.6	Very high	97.4	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	97.7	177.7	-174.2	62.8	0	0	0	111.3	I295 G296 I297 F309 L313 F384 V390 L392 V459	I295-L386 HydrophobicContact CG2-CB 4.36Å; G296-L386 PolarHBondContact O-N 2.86Å; I297-L386 WeakPolarHBondContact CA-O 3.08Å; F309-L386 HydrophobicContact CE1-CD2 4.48Å; F309-L386 HydrophobicContact CE2-CD1 4.36Å; F309-L386 HydrophobicContact CE2-CD2 3.81Å; F309-L386 HydrophobicContact CE2-CG 3.73Å; F309-L386 HydrophobicContact CZ-CD2 3.49Å; F309-L386 VanDerWaalsContact CZ-CD2 3.49Å; F309-L386 HydrophobicContact CZ-CG 3.64Å; L313-L386 HydrophobicContact CD1-CD2 4.3Å; F384-L386 HydrophobicContact CE1-CB 4.46Å; F384-L386 HydrophobicContact CE1-CD2 4.36Å; L386-V390 HydrophobicContact CD1-CB 3.77Å; L386-V390 HydrophobicContact CD1-CG1 3.65Å; L386-V390 HydrophobicContact CD1-CG2 4.37Å; L386-L392 HydrophobicContact CD1-CD1 3.72Å; L386-L392 HydrophobicContact CD1-CG 4.02Å; L386-L392 HydrophobicContact CD2-CD1 4.11Å; L386-V459 HydrophobicContact CD1-CB 4.12Å; L386-V459 HydrophobicContact CD1-CG2 3.87Å
387	D	98.3	Very high	97.6	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	150.5	176.3	-65.3	4.8	0	0	0	111	R367 N385 E389 V390 S458	R367-D387 IonicContact CZ-OD1 3.79Å; R367-D387 IonicContact CZ-OD2 2.97Å; R367-D387 IonicContact NH1-OD1 3.34Å; R367-D387 PolarHBondContact NH1-OD1 3.22Å; R367-D387 IonicContact NH1-OD2 3.89Å; R367-D387 VanDerWaalsContact NH2-CG 3.28Å; R367-D387 IonicContact NH2-OD1 3.33Å; R367-D387 PolarHBondContact NH2-OD1 3.24Å; R367-D387 IonicContact NH2-OD2 2.99Å; R367-D387 PolarHBondContact NH2-OD2 2.92Å; N385-D387 PolarHBondContact ND2-OD1 3.36Å; D387-E389 VanDerWaalsContact C-N 3.29Å; D387-E389 PolarHBondContact O-N 3.22Å; D387-V390 HydrophobicContact CB-CG2 4.4Å; D387-V390 VanDerWaalsContact O-CB 3.28Å; D387-V390 WeakPolarHBondContact O-CB 3.24Å; D387-V390 WeakPolarHBondContact O-CG2 3.37Å; D387-V390 PolarHBondContact O-N 2.81Å; D387-V390 VanDerWaalsContact O-N 3.09Å; D387-S458 PolarHBondContact N-O 3.06Å; D387-S458 WeakPolarHBondContact OD2-CA 3.34Å
388	I	97.9	Very high	97.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.7	-166.4	-170.1	62.7	0	0	0	114	F298 I299 T303 V306 F309 V390	F298-I388 WeakPolarHBondContact O-CB 3.45Å; F298-I388 WeakPolarHBondContact O-CG2 3.44Å; F298-I388 PolarHBondContact O-N 2.94Å; F298-I388 VanDerWaalsContact O-N 3.1Å; I299-I388 HydrophobicContact CB-CB 4.41Å; I299-I388 HydrophobicContact CB-CG2 4.31Å; I299-I388 HydrophobicContact CD1-CD1 4.21Å; I299-I388 HydrophobicContact CD1-CG1 4.41Å; I299-I388 HydrophobicContact CG1-CB 3.94Å; I299-I388 HydrophobicContact CG1-CD1 4.03Å; I299-I388 HydrophobicContact CG1-CG1 3.91Å; I299-I388 HydrophobicContact CG1-CG2 4.4Å; I299-I388 HydrophobicContact CG2-CG1 4.39Å; I299-I388 HydrophobicContact CG2-CG2 4.16Å; T303-I388 HydrophobicContact CG2-CG1 4.27Å; T303-I388 HydrophobicContact CG2-CG2 3.95Å; T303-I388 VanDerWaalsContact OG1-CG2 3.26Å; T303-I388 WeakPolarHBondContact OG1-CG2 3.39Å; V306-I388 HydrophobicContact CG1-CD1 4.16Å; V306-I388 HydrophobicContact CG2-CD1 4.13Å; V306-I388 HydrophobicContact CG2-CG1 3.79Å; F309-I388 HydrophobicContact CB-CD1 4.03Å; F309-I388 HydrophobicContact CD1-CD1 3.53Å; F309-I388 HydrophobicContact CD2-CD1 3.99Å; F309-I388 VanDerWaalsContact CD2-O 3.27Å; F309-I388 WeakPolarHBondContact CD2-O 3.32Å; F309-I388 HydrophobicContact CE1-CD1 3.89Å; F309-I388 HydrophobicContact CE2-CD1 4.3Å; F309-I388 HydrophobicContact CG-CD1 3.59Å; F309-I388 HydrophobicContact CZ-CD1 4.25Å; I388-V390 PolarHBondContact O-N 3.37Å
389	E	97.3	Very high	97.9	Very high	27 Å²	27	27.3 Å²	27.3	13%	0.126	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.5	178.2	64.5	-92.3	-150.7	0	0	113.7	T303 D387 I510 L511 T513	T303-E389 HydrophobicContact CG2-CB 4Å; D387-E389 VanDerWaalsContact C-N 3.29Å; D387-E389 PolarHBondContact O-N 3.22Å; E389-I510 HydrophobicContact CB-CG1 4.21Å; E389-I510 HydrophobicContact CG-CD1 3.7Å; E389-I510 HydrophobicContact CG-CG1 3.6Å; E389-L511 HydrophobicContact CB-CB 4.18Å; E389-L511 WeakPolarHBondContact O-CG 3.43Å; E389-L511 PolarHBondContact O-N 3.34Å; E389-T513 HydrophobicContact CB-CG2 4.16Å
390	V	98.3	Very high	98	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.6	-179.3	177.5	0	0	0	0	111.2	F309 L386 D387 I388 L392 I413 V459	F309-V390 WeakPolarHBondContact CD2-O 3.49Å; L386-V390 HydrophobicContact CD1-CB 3.77Å; L386-V390 HydrophobicContact CD1-CG1 3.65Å; L386-V390 HydrophobicContact CD1-CG2 4.37Å; D387-V390 HydrophobicContact CB-CG2 4.4Å; D387-V390 VanDerWaalsContact O-CB 3.28Å; D387-V390 WeakPolarHBondContact O-CB 3.24Å; D387-V390 WeakPolarHBondContact O-CG2 3.37Å; D387-V390 PolarHBondContact O-N 2.81Å; D387-V390 VanDerWaalsContact O-N 3.09Å; I388-V390 PolarHBondContact O-N 3.37Å; V390-L392 HydrophobicContact CG1-CD2 3.72Å; V390-L392 HydrophobicContact CG1-CG 3.9Å; V390-I413 HydrophobicContact CG1-CD1 3.45Å; V390-I413 VanDerWaalsContact CG1-CD1 3.45Å; V390-V459 HydrophobicContact CG1-CB 4.19Å; V390-V459 HydrophobicContact CG1-CG1 4.06Å; V390-V459 HydrophobicContact CG2-CB 4.2Å; V390-V459 HydrophobicContact CG2-CG1 4.28Å
391	V	98.3	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	91.3	174.3	-173.9	0	0	0	0	109.6	K393 G508 R509 L511 D534	V391-K393 HydrophobicContact CG1-CD 4.03Å; V391-K393 HydrophobicContact CG1-CG 4.14Å; V391-K393 PolarHBondContact O-N 2.85Å; V391-G508 CarbonylContact O-C 3.58Å; V391-G508 WeakPolarHBondContact O-CA 3.46Å; V391-R509 WeakPolarHBondContact CA-O 3.27Å; V391-R509 HydrophobicContact CB-CG 3.71Å; V391-R509 WeakPolarHBondContact CB-O 3.36Å; V391-R509 HydrophobicContact CG1-CG 4.08Å; V391-R509 HydrophobicContact CG2-CG 4.13Å; V391-R509 PolarHBondContact N-O 3.24Å; V391-R509 PolarHBondContact O-N 3.02Å; V391-L511 HydrophobicContact CG2-CD1 4.23Å; V391-L511 HydrophobicContact CG2-CD2 3.63Å; V391-L511 HydrophobicContact CG2-CG 3.63Å; V391-D534 WeakPolarHBondContact CG2-OD1 3.26Å
392	L	97.4	Very high	98.1	Very high	12 Å²	12	19.1 Å²	19.1	6%	0.063	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	99.4	172.2	-64	-175.5	0	0	0	110.8	L316 F384 L386 V390 T397 I413 V459	L316-L392 HydrophobicContact CD2-CD1 4.24Å; F384-L392 HydrophobicContact CE1-CD1 4.18Å; F384-L392 HydrophobicContact CZ-CD1 4.04Å; L386-L392 HydrophobicContact CD1-CD1 3.72Å; L386-L392 HydrophobicContact CD1-CG 4.02Å; L386-L392 HydrophobicContact CD2-CD1 4.11Å; V390-L392 HydrophobicContact CG1-CD2 3.72Å; V390-L392 HydrophobicContact CG1-CG 3.9Å; L392-T397 HydrophobicContact CD2-CG2 4.21Å; L392-I413 HydrophobicContact CD2-CD1 3.74Å; L392-V459 HydrophobicContact CD2-CG2 4.45Å
393	K	96.5	Very high	98	Very high	101 Å²	101	23.8 Å²	23.8	44%	0.439	11%	0.112	S	C	.	.			trans	-81.6	-31	174.9	-68.5	-65.4	-66	-168.1	0	112.3	V391 E395 F507 E537	V391-K393 HydrophobicContact CG1-CD 4.03Å; V391-K393 HydrophobicContact CG1-CG 4.14Å; V391-K393 PolarHBondContact O-N 2.85Å; K393-E395 PolarHBondContact O-N 2.84Å; K393-F507 PolarHBondContact N-O 2.95Å; K393-E537 IonicContact NZ-OE1 2.78Å; K393-E537 PolarHBondContact NZ-OE1 3.26Å; K393-E537 IonicContact NZ-OE2 3.63Å; K393-E537 PolarHBondContact NZ-OE2 3.44Å
394	N	98.1	Very high	97.8	Very high	32 Å²	32	24.5 Å²	24.5	17%	0.171	12%	0.115	C	C	.	.			trans	-84.9	105.1	178.7	-171.2	-26.5	0	0	0	110.2	N396 T397 T506 F507	N394-N396 PolarHBondContact O-N 2.84Å; N394-N396 VanDerWaalsContact O-N 3.11Å; N394-N396 WeakPolarHBondContact OD1-CB 3.44Å; N394-N396 PolarHBondContact OD1-N 2.78Å; N394-T397 WeakPolarHBondContact O-CB 3.42Å; N394-T397 PolarHBondContact O-N 2.97Å; N394-T397 PolarHBondContact O-OG1 3.35Å; N394-T506 WeakPolarHBondContact CB-O 3.31Å; N394-T506 PolarHBondContact ND2-O 3.26Å; N394-F507 PolarHBondContact N-O 3.16Å
395	E	98.2	Very high	97.7	Very high	77 Å²	77	26.9 Å²	26.9	36%	0.36	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.4	-177.9	-54.7	-178.2	174.1	0	0	113.3	K315 Q317 K393	K315-E395 HydrophobicContact CB-CG 4.29Å; K315-E395 WeakPolarHBondContact O-CB 3.45Å; Q317-E395 HydrophobicContact CG-CB 3.71Å; Q317-E395 PolarHBondContact N-O 2.79Å; Q317-E395 PolarHBondContact NE2-OE2 2.96Å; K393-E395 PolarHBondContact O-N 2.84Å
396	N	97.9	Very high	97.5	Very high	70 Å²	70	28.2 Å²	28.2	37%	0.374	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.4	177.5	-69.3	-66.4	0	0	0	113.7	Q317 N394 L398 K399 I400	Q317-N396 WeakPolarHBondContact CB-OD1 3.29Å; N394-N396 PolarHBondContact O-N 2.84Å; N394-N396 VanDerWaalsContact O-N 3.11Å; N394-N396 WeakPolarHBondContact OD1-CB 3.44Å; N394-N396 PolarHBondContact OD1-N 2.78Å; N396-L398 VanDerWaalsContact C-N 3.34Å; N396-L398 PolarHBondContact O-N 2.86Å; N396-K399 PolarHBondContact O-N 3.37Å; N396-K399 VanDerWaalsContact O-N 3.1Å; N396-I400 HydrophobicContact CB-CD1 4.04Å; N396-I400 HydrophobicContact CB-CG1 4.32Å; N396-I400 WeakPolarHBondContact O-CG1 3.35Å; N396-I400 PolarHBondContact O-N 3.32Å
397	T	98.4	Very high	97.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-47	-53.2	-175.4	-64.9	0	0	0	0	112.3	F384 L392 N394 K399 I400 L401 P411 F507	F384-T397 HydrophobicContact CZ-CG2 4.43Å; L392-T397 HydrophobicContact CD2-CG2 4.21Å; N394-T397 WeakPolarHBondContact O-CB 3.42Å; N394-T397 PolarHBondContact O-N 2.97Å; N394-T397 PolarHBondContact O-OG1 3.35Å; T397-K399 PolarHBondContact O-N 3.29Å; T397-I400 PolarHBondContact O-N 2.84Å; T397-I400 VanDerWaalsContact O-N 3.16Å; T397-L401 HydrophobicContact CG2-CD1 3.88Å; T397-L401 HydrophobicContact CG2-CG 4.31Å; T397-L401 WeakPolarHBondContact O-CG 3.49Å; T397-L401 PolarHBondContact O-N 3.48Å; T397-P411 HydrophobicContact CG2-CB 4.22Å; T397-P411 HydrophobicContact CG2-CG 4.02Å; T397-F507 HydrophobicContact CG2-CD1 3.87Å; T397-F507 HydrophobicContact CG2-CE1 4.37Å
398	L	98.3	Very high	97.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-43.5	-177.4	-177.1	57	0	0	0	112.7	V293 Y318 L323 F384 N396 I400 L401 I402 L461	V293-L398 HydrophobicContact CG1-CD1 4.22Å; V293-L398 HydrophobicContact CG1-CD2 4.34Å; V293-L398 HydrophobicContact CG2-CD2 4.31Å; Y318-L398 HydrophobicContact CD1-CD2 4.18Å; Y318-L398 HydrophobicContact CD2-CD2 4Å; Y318-L398 HydrophobicContact CD2-CG 4.17Å; Y318-L398 HydrophobicContact CE2-CD2 4.43Å; Y318-L398 HydrophobicContact CE2-CG 4.44Å; Y318-L398 HydrophobicContact CG-CD2 3.85Å; Y318-L398 HydrophobicContact CG-CG 4.5Å; L323-L398 HydrophobicContact CD2-CD2 3.81Å; F384-L398 HydrophobicContact CB-CD1 4.28Å; F384-L398 HydrophobicContact CD1-CD1 4.21Å; F384-L398 HydrophobicContact CD2-CD1 4.32Å; F384-L398 HydrophobicContact CG-CD1 4.02Å; N396-L398 VanDerWaalsContact C-N 3.34Å; N396-L398 PolarHBondContact O-N 2.86Å; L398-I400 VanDerWaalsContact C-N 3.33Å; L398-I400 PolarHBondContact O-N 3.34Å; L398-L401 PolarHBondContact O-N 3.35Å; L398-I402 HydrophobicContact CD1-CD1 3.89Å; L398-I402 HydrophobicContact CD1-CG1 4.21Å; L398-I402 HydrophobicContact CG-CD1 3.91Å; L398-I402 WeakPolarHBondContact O-CB 3.12Å; L398-I402 WeakPolarHBondContact O-CG1 3.02Å; L398-I402 PolarHBondContact O-N 3.12Å; L398-L461 HydrophobicContact CD1-CD1 3.72Å
399	K	97.5	Very high	97.5	Very high	41 Å²	41	28.9 Å²	28.9	18%	0.178	14%	0.14	C	C	.	.	H	α-helix	trans	-60	-43.5	175.1	-75	177.2	165	152.7	0	111.5	L282 Q317 Y318 N396 T397 K403	L282-K399 HydrophobicContact CD1-CB 4.07Å; L282-K399 HydrophobicContact CD1-CG 4.09Å; Q317-K399 WeakPolarHBondContact O-CD 3.45Å; Q317-K399 WeakPolarHBondContact O-CE 3.4Å; Q317-K399 PolarHBondContact O-NZ 2.81Å; Y318-K399 HydrophobicContact CD2-CG 3.95Å; Y318-K399 HydrophobicContact CE2-CG 4.46Å; N396-K399 PolarHBondContact O-N 3.37Å; N396-K399 VanDerWaalsContact O-N 3.1Å; T397-K399 PolarHBondContact O-N 3.29Å; K399-K403 VanDerWaalsContact O-CB 3.27Å; K399-K403 WeakPolarHBondContact O-CB 3.41Å; K399-K403 PolarHBondContact O-N 2.05Å
400	I	97.5	Very high	97.5	Very high	24 Å²	24	27.6 Å²	27.6	12%	0.123	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-47.3	179.9	-66.8	164.3	0	0	0	110.2	N396 T397 L398 K403 Q404 F507	N396-I400 HydrophobicContact CB-CD1 4.04Å; N396-I400 HydrophobicContact CB-CG1 4.32Å; N396-I400 WeakPolarHBondContact O-CG1 3.35Å; N396-I400 PolarHBondContact O-N 3.32Å; T397-I400 PolarHBondContact O-N 2.84Å; T397-I400 VanDerWaalsContact O-N 3.16Å; L398-I400 VanDerWaalsContact C-N 3.33Å; L398-I400 PolarHBondContact O-N 3.34Å; I400-K403 WeakPolarHBondContact O-CB 3.34Å; I400-K403 PolarHBondContact O-N 3.48Å; I400-Q404 WeakPolarHBondContact O-CG 3.43Å; I400-Q404 PolarHBondContact O-N 3.32Å; I400-F507 HydrophobicContact CB-CE1 4.17Å; I400-F507 HydrophobicContact CD1-CE1 4.01Å; I400-F507 HydrophobicContact CG2-CE1 3.84Å; I400-F507 HydrophobicContact CG2-CZ 3.85Å
401	L	98.2	Very high	97.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-43.6	-179.1	-62.5	176.6	0	0	0	112.2	F384 T397 L398 K403 Q404 V409 P411 L461	F384-L401 HydrophobicContact CD2-CD1 4.49Å; F384-L401 HydrophobicContact CE2-CD1 3.78Å; T397-L401 HydrophobicContact CG2-CD1 3.88Å; T397-L401 HydrophobicContact CG2-CG 4.31Å; T397-L401 WeakPolarHBondContact O-CG 3.49Å; T397-L401 PolarHBondContact O-N 3.48Å; L398-L401 PolarHBondContact O-N 3.35Å; L401-K403 VanDerWaalsContact C-N 3.3Å; L401-K403 PolarHBondContact O-N 2.94Å; L401-Q404 WeakPolarHBondContact O-CB 3.14Å; L401-Q404 PolarHBondContact O-N 3.35Å; L401-Q404 VanDerWaalsContact O-N 3.15Å; L401-V409 HydrophobicContact CB-CG1 4.11Å; L401-V409 HydrophobicContact CD2-CG1 4.1Å; L401-V409 HydrophobicContact CD2-CG2 4Å; L401-P411 HydrophobicContact CD1-CB 4.47Å; L401-P411 HydrophobicContact CD1-CG 3.99Å; L401-P411 HydrophobicContact CD2-CB 4.22Å; L401-L461 HydrophobicContact CB-CB 4.14Å; L401-L461 HydrophobicContact CB-CD2 3.74Å; L401-L461 HydrophobicContact CD1-CB 4.21Å
402	I	98	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-42	175.8	-71.2	169.6	0	0	0	110.8	L282 P291 V293 Y318 Y382 L398 Q404 N405 L461	L282-I402 HydrophobicContact CD1-CB 4.39Å; L282-I402 HydrophobicContact CD1-CG2 4.12Å; L282-I402 HydrophobicContact CD2-CG2 4.02Å; L282-I402 HydrophobicContact CG-CG2 4.38Å; P291-I402 HydrophobicContact CG-CG2 4.13Å; V293-I402 HydrophobicContact CG2-CD1 3.9Å; Y318-I402 HydrophobicContact CE2-CD1 3.7Å; Y382-I402 HydrophobicContact CD2-CD1 4.34Å; Y382-I402 HydrophobicContact CD2-CG1 4.09Å; Y382-I402 HydrophobicContact CE2-CG1 4.18Å; Y382-I402 HydrophobicContact CE2-CG2 3.86Å; Y382-I402 HydrophobicContact CG-CG1 4.32Å; L398-I402 HydrophobicContact CD1-CD1 3.89Å; L398-I402 HydrophobicContact CD1-CG1 4.21Å; L398-I402 HydrophobicContact CG-CD1 3.91Å; L398-I402 WeakPolarHBondContact O-CB 3.12Å; L398-I402 WeakPolarHBondContact O-CG1 3.02Å; L398-I402 PolarHBondContact O-N 3.12Å; I402-Q404 PolarHBondContact O-N 3.4Å; I402-N405 PolarHBondContact O-N 2.9Å; I402-L461 HydrophobicContact CB-CD2 4.34Å; I402-L461 HydrophobicContact CG1-CD2 3.6Å
403	K	96.4	Very high	97.5	Very high	102 Å²	102	28.3 Å²	28.3	44%	0.443	14%	0.137	S	C	.	.	H	α-helix	trans	-59.6	-29.8	178.6	-177.8	176.6	179.3	-174.8	0	112.4	L279 R280 K399 I400 L401 N405	L279-K403 CarbonylContact C-O 3.6Å; L279-K403 WeakPolarHBondContact CA-O 3.32Å; L279-K403 HydrophobicContact CB-CG 4.3Å; L279-K403 HydrophobicContact CD2-CG 4.38Å; L279-K403 WeakPolarHBondContact CD2-O 3.45Å; R280-K403 PolarHBondContact N-O 2.86Å; R280-K403 WeakPolarHBondContact O-CG 3.1Å; K399-K403 VanDerWaalsContact O-CB 3.27Å; K399-K403 WeakPolarHBondContact O-CB 3.41Å; K399-K403 PolarHBondContact O-N 2.05Å; I400-K403 WeakPolarHBondContact O-CB 3.34Å; I400-K403 PolarHBondContact O-N 3.48Å; L401-K403 VanDerWaalsContact C-N 3.3Å; L401-K403 PolarHBondContact O-N 2.94Å; K403-N405 PolarHBondContact O-N 2.64Å
404	Q	95.6	Very high	97.5	Very high	15 Å²	15	25.1 Å²	25.1	7%	0.07	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-21.3	177.5	-64	-58.3	-23	0	0	113.5	C275 I400 L401 I402 L406 L450	C275-Q404 PolarHBondContact O-OE1 3.25Å; I400-Q404 WeakPolarHBondContact O-CG 3.43Å; I400-Q404 PolarHBondContact O-N 3.32Å; L401-Q404 WeakPolarHBondContact O-CB 3.14Å; L401-Q404 PolarHBondContact O-N 3.35Å; L401-Q404 VanDerWaalsContact O-N 3.15Å; I402-Q404 PolarHBondContact O-N 3.4Å; Q404-L406 HydrophobicContact CB-CD1 4.03Å; Q404-L406 HydrophobicContact CB-CG 4.07Å; Q404-L406 PolarHBondContact O-N 3.26Å; Q404-L406 VanDerWaalsContact O-N 3.14Å; Q404-L450 HydrophobicContact CG-CD2 4.37Å
405	N	95.8	Very high	97.2	Very high	50 Å²	50	24.9 Å²	24.9	27%	0.267	12%	0.123	S	C	.	.			trans	52.6	35.4	176.6	-169.5	28.7	0	0	0	114.1	N278 R280 I402 K403 K463	N278-N405 VanDerWaalsContact O-CB 3.3Å; N278-N405 WeakPolarHBondContact O-CB 3.37Å; N278-N405 PolarHBondContact O-ND2 3.31Å; R280-N405 HydrophobicContact CB-CB 4.07Å; I402-N405 PolarHBondContact O-N 2.9Å; K403-N405 PolarHBondContact O-N 2.64Å; N405-K463 PolarHBondContact OD1-NZ 3.18Å
406	L	95.9	Very high	96.8	Very high	28 Å²	28	24.5 Å²	24.5	15%	0.147	13%	0.126	C	C	.	.			trans	-89.1	156.3	177.6	-67.4	172.5	0	0	0	111	Q404 V409 L450 Y500	Q404-L406 HydrophobicContact CB-CD1 4.03Å; Q404-L406 HydrophobicContact CB-CG 4.07Å; Q404-L406 PolarHBondContact O-N 3.26Å; Q404-L406 VanDerWaalsContact O-N 3.14Å; L406-V409 HydrophobicContact CB-CB 4.12Å; L406-V409 HydrophobicContact CB-CG1 4.34Å; L406-V409 HydrophobicContact CD1-CB 3.89Å; L406-V409 HydrophobicContact CD1-CG2 3.89Å; L406-L450 HydrophobicContact CD1-CD1 4.22Å; L406-L450 HydrophobicContact CD1-CD2 4.18Å; L406-Y500 HydrophobicContact CB-CD2 4.24Å; L406-Y500 HydrophobicContact CD1-CD1 4.26Å; L406-Y500 HydrophobicContact CD1-CD2 3.95Å; L406-Y500 HydrophobicContact CD1-CG 3.74Å; L406-Y500 HydrophobicContact CD2-CD2 4.05Å; L406-Y500 HydrophobicContact CD2-CE1 4.44Å; L406-Y500 HydrophobicContact CD2-CE2 3.89Å; L406-Y500 HydrophobicContact CD2-CG 4.38Å; L406-Y500 HydrophobicContact CG-CD2 4.31Å
407	P	95.9	Very high	96.2	Very high	22 Å²	22	25.3 Å²	25.3	14%	0.143	15%	0.15	C	C	.	.	S	Bend	trans	-60.9	-48.1	175.2	22.6	-31.9	0	0	0	111.7	K463 L466 V497 Y500	P407-K463 PolarHBondContact O-N 3.4Å; P407-L466 HydrophobicContact CB-CD2 4.25Å; P407-V497 HydrophobicContact CB-CG1 4.15Å; P407-V497 HydrophobicContact CG-CG1 4.48Å; P407-Y500 HydrophobicContact CG-CE2 4.23Å
408	I	98.6	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128	176.1	-58.6	173.4	0	0	0	109	I456 L461 V462 L466 F488 V492 V497 M499 Y500	I408-I456 HydrophobicContact CG2-CD1 3.35Å; I408-L461 CarbonylContact C-O 3.58Å; I408-L461 VanDerWaalsContact CA-O 3.32Å; I408-L461 WeakPolarHBondContact CA-O 3.32Å; I408-V462 HydrophobicContact CG1-CG1 4.12Å; I408-V462 HydrophobicContact CG1-CG2 4.25Å; I408-V462 HydrophobicContact CG2-CG2 4.32Å; I408-L466 HydrophobicContact CD1-CD2 3.75Å; I408-L466 HydrophobicContact CG1-CD2 3.68Å; I408-F488 HydrophobicContact CD1-CZ 4.14Å; I408-V492 HydrophobicContact CD1-CB 4.44Å; I408-V492 HydrophobicContact CD1-CG1 3.59Å; I408-V492 HydrophobicContact CD1-CG2 3.91Å; I408-V497 HydrophobicContact CD1-CG1 4.2Å; I408-M499 HydrophobicContact CB-CG 4.23Å; I408-M499 HydrophobicContact CD1-CG 4.08Å; I408-M499 HydrophobicContact CG2-CG 4.1Å; I408-Y500 WeakPolarHBondContact O-CD2 3.46Å; I408-Y500 PolarHBondContact O-N 3.39Å
409	V	98.7	Very high	95.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	128.5	178.4	60.3	0	0	0	0	112.9	L401 L406 Y460 L461 Y500 N502	L401-V409 HydrophobicContact CB-CG1 4.11Å; L401-V409 HydrophobicContact CD2-CG1 4.1Å; L401-V409 HydrophobicContact CD2-CG2 4Å; L406-V409 HydrophobicContact CB-CB 4.12Å; L406-V409 HydrophobicContact CB-CG1 4.34Å; L406-V409 HydrophobicContact CD1-CB 3.89Å; L406-V409 HydrophobicContact CD1-CG2 3.89Å; V409-Y460 WeakPolarHBondContact O-CA 3.4Å; V409-L461 HydrophobicContact CG1-CB 4.16Å; V409-L461 PolarHBondContact N-O 2.83Å; V409-L461 PolarHBondContact O-N 3.33Å; V409-Y500 CarbonylContact C-O 3.34Å; V409-Y500 WeakPolarHBondContact CA-O 3.41Å; V409-N502 HydrophobicContact CG2-CB 4.04Å
410	A	98.8	Very high	95.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.1	172.2	0	0	0	0	0	110.7	I456 V459 Y500 V501 N502	A410-I456 HydrophobicContact CB-CB 4.02Å; A410-I456 HydrophobicContact CB-CD1 4.29Å; A410-I456 HydrophobicContact CB-CG2 3.89Å; A410-V459 WeakPolarHBondContact CB-O 3.34Å; A410-Y500 PolarHBondContact N-O 2.8Å; A410-V501 CarbonylContact O-C 3.45Å; A410-V501 WeakPolarHBondContact O-CA 3.42Å; A410-N502 PolarHBondContact O-N 2.93Å
411	P	98.6	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.4	159.9	29.8	-27.9	0	0	0	108.7	T397 L401 I413 N422 V459 F507	T397-P411 HydrophobicContact CG2-CB 4.22Å; T397-P411 HydrophobicContact CG2-CG 4.02Å; L401-P411 HydrophobicContact CD1-CB 4.47Å; L401-P411 HydrophobicContact CD1-CG 3.99Å; L401-P411 HydrophobicContact CD2-CB 4.22Å; P411-I413 PolarHBondContact O-N 3.19Å; P411-N422 PolarHBondContact O-ND2 3.15Å; P411-N422 PolarHBondContact O-OD1 2.99Å; P411-V459 WeakPolarHBondContact CD-O 3.07Å; P411-V459 HydrophobicContact CG-CB 4.4Å; P411-V459 HydrophobicContact CG-CG1 3.75Å; P411-V459 HydrophobicContact CG-CG2 3.77Å; P411-F507 HydrophobicContact CB-CB 3.73Å; P411-F507 HydrophobicContact CB-CD1 3.71Å; P411-F507 HydrophobicContact CB-CD2 3.52Å; P411-F507 HydrophobicContact CB-CE1 4.15Å; P411-F507 HydrophobicContact CB-CE2 3.99Å; P411-F507 HydrophobicContact CB-CG 3.36Å; P411-F507 HydrophobicContact CB-CZ 4.27Å
412	M	98.4	Very high	95.3	Very high	27 Å²	27	37.4 Å²	37.4	13%	0.133	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-69.2	122.1	176.3	-168.7	-177.8	76.1	0	0	109.7	T414 F423 I442 V501 N502 N503	M412-T414 HydrophobicContact CE-CG2 4.37Å; M412-F423 HydrophobicContact CG-CD1 4.29Å; M412-F423 HydrophobicContact CG-CE1 4.07Å; M412-F423 HydrophobicContact SD-CE1 4.03Å; M412-I442 HydrophobicContact SD-CG2 3.94Å; M412-V501 HydrophobicContact CB-CG2 3.72Å; M412-V501 HydrophobicContact CG-CG2 4.14Å; M412-N502 WeakPolarHBondContact CB-O 3.47Å; M412-N502 PolarHBondContact N-O 3.22Å; M412-N503 HydrophobicContact CB-CB 3.8Å; M412-N503 HydrophobicContact CE-CB 3.64Å; M412-N503 HydrophobicContact CG-CB 4.33Å; M412-N503 HydrophobicContact SD-CB 3.61Å
413	I	97.3	Very high	95.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.197	C	C	.	.			trans	-127.8	137	176.8	-64.2	-162.8	0	0	0	109	V390 L392 P411 S421 N422 V459 R509 I510	V390-I413 HydrophobicContact CG1-CD1 3.45Å; V390-I413 VanDerWaalsContact CG1-CD1 3.45Å; L392-I413 HydrophobicContact CD2-CD1 3.74Å; P411-I413 PolarHBondContact O-N 3.19Å; I413-S421 WeakPolarHBondContact O-CA 3.41Å; I413-S421 WeakPolarHBondContact O-CB 3.31Å; I413-N422 PolarHBondContact N-OD1 3.41Å; I413-N422 PolarHBondContact O-N 3.02Å; I413-N422 VanDerWaalsContact O-N 3.11Å; I413-N422 PolarHBondContact O-OD1 3.26Å; I413-V459 HydrophobicContact CD1-CG1 3.52Å; I413-V459 HydrophobicContact CG1-CG1 4.07Å; I413-R509 VanDerWaalsContact CG2-CA 3.41Å; I413-R509 VanDerWaalsContact CG2-O 3.27Å; I413-R509 WeakPolarHBondContact CG2-O 3.42Å; I413-I510 HydrophobicContact CG2-CB 3.9Å; I413-I510 VanDerWaalsContact CG2-N 3.35Å
414	T	95.3	Very high	95.5	Very high	35 Å²	35	34.4 Å²	34.4	22%	0.215	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.3	-175.3	57.7	0	0	0	0	110.9	M412 W420 V443 R509 I510	M412-T414 HydrophobicContact CE-CG2 4.37Å; T414-W420 WeakPolarHBondContact CA-O 3.49Å; T414-V443 HydrophobicContact CG2-CG1 3.9Å; T414-R509 VanDerWaalsContact O-CA 3.27Å; T414-R509 WeakPolarHBondContact O-CA 3.28Å; T414-R509 WeakPolarHBondContact O-CB 3.49Å; T414-I510 PolarHBondContact O-N 3.37Å
415	R	92.6	Very high	95.5	Very high	27 Å²	27	34.3 Å²	34.3	10%	0.102	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.9	167.2	-171.3	162.6	172.8	-167.5	-5.6	108.8	G417 R418 W420 I510 S512 E514 E530	R415-G417 PolarHBondContact O-N 3.44Å; R415-R418 HydrophobicContact CB-CB 4.35Å; R415-R418 PolarHBondContact O-N 2.86Å; R415-W420 HydrophobicContact CB-CB 4.36Å; R415-W420 HydrophobicContact CB-CE3 4.24Å; R415-W420 PolarHBondContact N-O 2.86Å; R415-I510 HydrophobicContact CB-CG2 3.85Å; R415-S512 VanDerWaalsContact NH2-CB 3.31Å; R415-S512 PolarHBondContact NH2-OG 3.07Å; R415-E514 IonicContact CZ-OE1 3.72Å; R415-E514 IonicContact NH1-OE1 3.65Å; R415-E514 PolarHBondContact NH1-OE1 2.76Å; R415-E514 IonicContact NH2-OE1 3.98Å; R415-E514 IonicContact NH2-OE2 3.69Å; R415-E530 IonicContact NH2-OE2 3.41Å
416	V	89.6	Confident	95.6	Very high	69 Å²	69	33.3 Å²	33.3	42%	0.418	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.2	-174.6	179.7	0	0	0	0	110.7	R418 R509 L533	V416-R418 PolarHBondContact O-N 2.86Å; V416-R509 HydrophobicContact CG2-CB 4.05Å; V416-R509 HydrophobicContact CG2-CG 4.34Å; V416-L533 HydrophobicContact CB-CD1 4.37Å; V416-L533 HydrophobicContact CG1-CD1 3.64Å; V416-L533 HydrophobicContact CG1-CG 4.19Å; V416-L533 HydrophobicContact CG2-CD1 3.81Å
417	G	85.7	Confident	95.6	Very high	86 Å²	86	33.3 Å²	33.3	89%	0.887	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	7.6	178.5	0	0	0	0	0	115	R415	R415-G417 PolarHBondContact O-N 3.44Å
418	R	91.2	Very high	95.5	Very high	142 Å²	142	34.2 Å²	34.2	54%	0.536	19%	0.192	S	C	.	.	S	Bend	trans	-127.1	165.5	178.9	-57.6	-165.4	-177.8	-154.5	4.3	110.9	R415 V416	R415-R418 HydrophobicContact CB-CB 4.35Å; R415-R418 PolarHBondContact O-N 2.86Å; V416-R418 PolarHBondContact O-N 2.86Å
419	L	93	Very high	94.9	Very high	57 Å²	57	41.5 Å²	41.5	30%	0.298	24%	0.236	S	C	.	.	S	Bend	trans	-85.8	-11.4	173.2	-68.6	176.3	0	0	0	113.2	S421 Y439 V440 V443 Q444	L419-S421 PolarHBondContact O-N 3.33Å; L419-Y439 HydrophobicContact CB-CE1 4.39Å; L419-Y439 PolarHBondContact O-OH 2.94Å; L419-V440 HydrophobicContact CD1-CG2 4.08Å; L419-V440 HydrophobicContact CD2-CG1 4.13Å; L419-V443 HydrophobicContact CD2-CG1 3.9Å; L419-Q444 HydrophobicContact CD2-CG 4.29Å
420	W	93.6	Very high	94.3	Very high	120 Å²	120	47.9 Å²	47.9	46%	0.455	27%	0.271	S	S	.	.			trans	-59.4	130.9	179.6	-172	102.4	0	0	0	110.2	T414 R415 I510	T414-W420 WeakPolarHBondContact CA-O 3.49Å; R415-W420 HydrophobicContact CB-CB 4.36Å; R415-W420 HydrophobicContact CB-CE3 4.24Å; R415-W420 PolarHBondContact N-O 2.86Å; W420-I510 HydrophobicContact CE3-CG2 3.57Å; W420-I510 HydrophobicContact CH2-CD1 3.42Å; W420-I510 VanDerWaalsContact CH2-CD1 3.42Å; W420-I510 HydrophobicContact CH2-CG2 4.29Å; W420-I510 HydrophobicContact CZ3-CB 4.13Å; W420-I510 HydrophobicContact CZ3-CD1 3.44Å; W420-I510 VanDerWaalsContact CZ3-CD1 3.44Å; W420-I510 HydrophobicContact CZ3-CG1 4.29Å; W420-I510 HydrophobicContact CZ3-CG2 3.26Å
421	S	95.3	Very high	93.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.021	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-144.5	163.3	-177.9	64.1	0	0	0	0	111.6	I413 L419 F423 Y439	I413-S421 WeakPolarHBondContact O-CA 3.41Å; I413-S421 WeakPolarHBondContact O-CB 3.31Å; L419-S421 PolarHBondContact O-N 3.33Å; S421-F423 PolarHBondContact O-N 3.06Å; S421-F423 WeakPolarHBondContact OG-CD1 3.27Å; S421-F423 VanDerWaalsContact OG-CE1 3.27Å; S421-F423 WeakPolarHBondContact OG-CE1 3.49Å; S421-F423 PolarHBondContact OG-O 2.95Å; S421-Y439 PolarHBondContact N-OH 2.84Å; S421-Y439 WeakPolarHBondContact OG-CE2 3.48Å; S421-Y439 PolarHBondContact OG-OH 3.32Å
422	N	97.9	Very high	93.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-76.4	29.3	179.9	73.9	-43	0	0	0	114.8	P411 I413 I456 S457	P411-N422 PolarHBondContact O-ND2 3.15Å; P411-N422 PolarHBondContact O-OD1 2.99Å; I413-N422 PolarHBondContact N-OD1 3.41Å; I413-N422 PolarHBondContact O-N 3.02Å; I413-N422 VanDerWaalsContact O-N 3.11Å; I413-N422 PolarHBondContact O-OD1 3.26Å; N422-I456 CarbonylContact O-C 3.54Å; N422-I456 WeakPolarHBondContact O-CA 3.31Å; N422-S457 WeakPolarHBondContact CB-O 3.16Å; N422-S457 PolarHBondContact ND2-O 3.44Å; N422-S457 PolarHBondContact O-N 2.82Å
423	F	98.4	Very high	93.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.7	176.6	84.6	-83.4	0	0	0	110.9	M412 S421 Y439 I442 V443 V453 Y455 I456 V501	M412-F423 HydrophobicContact CG-CD1 4.29Å; M412-F423 HydrophobicContact CG-CE1 4.07Å; M412-F423 HydrophobicContact SD-CE1 4.03Å; S421-F423 PolarHBondContact O-N 3.06Å; S421-F423 WeakPolarHBondContact OG-CD1 3.27Å; S421-F423 VanDerWaalsContact OG-CE1 3.27Å; S421-F423 WeakPolarHBondContact OG-CE1 3.49Å; S421-F423 PolarHBondContact OG-O 2.95Å; F423-Y439 HydrophobicContact CD1-CE2 4.48Å; F423-Y439 HydrophobicContact CD2-CE2 4.4Å; F423-Y439 HydrophobicContact CE1-CD2 4.4Å; F423-Y439 AromaticContact CE1-CE2 3.93Å; F423-Y439 HydrophobicContact CE1-CE2 3.93Å; F423-Y439 AromaticContact CE2-CD2 3.72Å; F423-Y439 HydrophobicContact CE2-CD2 3.72Å; F423-Y439 AromaticContact CE2-CE2 3.86Å; F423-Y439 HydrophobicContact CE2-CE2 3.86Å; F423-Y439 AromaticContact CZ-CD2 3.61Å; F423-Y439 HydrophobicContact CZ-CD2 3.61Å; F423-Y439 AromaticContact CZ-CE2 3.59Å; F423-Y439 HydrophobicContact CZ-CE2 3.59Å; F423-I442 HydrophobicContact CE1-CG2 4.25Å; F423-I442 HydrophobicContact CE2-CG2 4.48Å; F423-I442 HydrophobicContact CZ-CB 4.26Å; F423-I442 HydrophobicContact CZ-CG2 3.69Å; F423-V443 HydrophobicContact CE1-CG2 3.85Å; F423-V443 HydrophobicContact CZ-CG2 4.06Å; F423-V453 HydrophobicContact CB-CG2 4.43Å; F423-V453 HydrophobicContact CD2-CB 4.23Å; F423-V453 HydrophobicContact CD2-CG1 3.77Å; F423-V453 HydrophobicContact CD2-CG2 4.42Å; F423-V453 HydrophobicContact CE2-CG1 4.11Å; F423-Y455 VanDerWaalsContact CA-O 3.24Å; F423-Y455 WeakPolarHBondContact CA-O 3.11Å; F423-Y455 WeakPolarHBondContact CB-O 3.27Å; F423-I456 HydrophobicContact CB-CG2 4.33Å; F423-V501 HydrophobicContact CB-CB 4.33Å; F423-V501 HydrophobicContact CB-CG2 4.34Å; F423-V501 HydrophobicContact CD1-CG1 4.31Å; F423-V501 HydrophobicContact CD1-CG2 4.02Å; F423-V501 HydrophobicContact CD2-CG1 3.94Å; F423-V501 HydrophobicContact CE2-CG1 4.2Å; F423-V501 HydrophobicContact CG-CB 4.26Å; F423-V501 HydrophobicContact CG-CG1 4Å; F423-V501 HydrophobicContact CG-CG2 4.2Å
424	W	98.5	Very high	93.3	Very high	39 Å²	39	59 Å²	59	15%	0.148	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.4	169	-50.4	-18.4	0	0	0	109.7	L427 Y433 P454 Y455 M486	W424-L427 HydrophobicContact CE3-CD2 3.53Å; W424-L427 HydrophobicContact CZ3-CD2 3.97Å; W424-Y433 HydrophobicContact CB-CD2 4.12Å; W424-Y433 AromaticContact CD1-CD2 3.55Å; W424-Y433 AromaticContact CD2-CD2 3.83Å; W424-Y433 HydrophobicContact CD2-CD2 3.83Å; W424-Y433 HydrophobicContact CD2-CG 4.47Å; W424-Y433 AromaticContact CE2-CD2 3.94Å; W424-Y433 AromaticContact CG-CD2 3.59Å; W424-Y433 HydrophobicContact CG-CD2 3.59Å; W424-Y433 HydrophobicContact CG-CE2 4.26Å; W424-Y433 VanDerWaalsContact CZ3-N 3.25Å; W424-Y433 AromaticContact NE1-CD2 3.78Å; W424-P454 WeakPolarHBondContact O-CD 3.37Å; W424-P454 WeakPolarHBondContact O-CG 3.45Å; W424-Y455 HydrophobicContact CB-CD1 4.27Å; W424-Y455 HydrophobicContact CB-CG 4.41Å; W424-Y455 AromaticContact CD1-CD1 3.58Å; W424-Y455 AromaticContact CD1-CE1 3.96Å; W424-Y455 AromaticContact CD2-CD1 3.6Å; W424-Y455 HydrophobicContact CD2-CD1 3.6Å; W424-Y455 HydrophobicContact CD2-CD2 4.17Å; W424-Y455 HydrophobicContact CD2-CE1 4.14Å; W424-Y455 AromaticContact CD2-CG 3.62Å; W424-Y455 HydrophobicContact CD2-CG 3.62Å; W424-Y455 AromaticContact CE2-CD1 3.71Å; W424-Y455 AromaticContact CE2-CE1 3.74Å; W424-Y455 HydrophobicContact CE3-CD1 4.27Å; W424-Y455 HydrophobicContact CE3-CD2 4.05Å; W424-Y455 AromaticContact CE3-CG 3.81Å; W424-Y455 HydrophobicContact CE3-CG 3.81Å; W424-Y455 AromaticContact CG-CD1 3.55Å; W424-Y455 HydrophobicContact CG-CD1 3.55Å; W424-Y455 HydrophobicContact CG-CE1 4.29Å; W424-Y455 AromaticContact CG-CG 3.88Å; W424-Y455 HydrophobicContact CG-CG 3.88Å; W424-Y455 HydrophobicContact CH2-CD2 4.37Å; W424-Y455 HydrophobicContact CH2-CE2 4.3Å; W424-Y455 HydrophobicContact CZ2-CD1 4.46Å; W424-Y455 HydrophobicContact CZ2-CD2 4.46Å; W424-Y455 HydrophobicContact CZ2-CE1 4.22Å; W424-Y455 HydrophobicContact CZ2-CE2 4.21Å; W424-Y455 HydrophobicContact CZ3-CD2 4.15Å; W424-Y455 HydrophobicContact CZ3-CG 4.37Å; W424-Y455 PolarHBondContact N-O 3.23Å; W424-Y455 VanDerWaalsContact N-O 3.08Å; W424-Y455 AromaticContact NE1-CD1 3.63Å; W424-Y455 AromaticContact NE1-CE1 3.57Å; W424-M486 HydrophobicContact CH2-CE 4.1Å; W424-M486 HydrophobicContact CH2-CG 3.83Å; W424-M486 HydrophobicContact CH2-SD 3.74Å; W424-M486 HydrophobicContact CZ3-CE 4.12Å; W424-M486 HydrophobicContact CZ3-CG 4.28Å; W424-M486 HydrophobicContact CZ3-SD 4.33Å
425	G	97.4	Very high	93.4	Very high	14 Å²	14	64.7 Å²	64.7	14%	0.144	34%	0.342	C	S	.	.	S	Bend	trans	-82.5	-22.3	178.2	0	0	0	0	0	114.1	S436	G425-S436 WeakPolarHBondContact CA-OG 3.27Å
426	A	97.3	Very high	93.6	Very high	28 Å²	28	64 Å²	64	23%	0.231	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	166.8	-179.9	0	0	0	0	0	110.9	A434	A426-A434 CarbonylContact C-O 3.6Å; A426-A434 HydrophobicContact CB-CB 4.03Å; A426-A434 PolarHBondContact N-O 3.04Å; A426-A434 PolarHBondContact O-N 2.74Å
427	L	96.3	Very high	93.9	Very high	29 Å²	29	67.8 Å²	67.8	15%	0.152	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.6	171.3	-58.5	-177.7	0	0	0	110.4	L253 W424 Y432 A434 P454	L253-L427 HydrophobicContact CD1-CB 4.45Å; L253-L427 HydrophobicContact CD1-CD1 3.63Å; L253-L427 HydrophobicContact CD1-CG 4.06Å; W424-L427 HydrophobicContact CE3-CD2 3.53Å; W424-L427 HydrophobicContact CZ3-CD2 3.97Å; L427-Y432 CarbonylContact C-O 3.47Å; L427-Y432 VanDerWaalsContact CA-O 3.24Å; L427-Y432 WeakPolarHBondContact CA-O 3.2Å; L427-A434 VanDerWaalsContact C-CB 3.45Å; L427-P454 HydrophobicContact CD1-CB 4Å; L427-P454 HydrophobicContact CD2-CB 4.13Å; L427-P454 HydrophobicContact CD2-CG 4.24Å; L427-P454 HydrophobicContact CG-CB 3.76Å; L427-P454 HydrophobicContact CG-CG 4.06Å
428	S	93.1	Very high	94.4	Very high	41 Å²	41	63.9 Å²	63.9	29%	0.287	31%	0.313	S	S	.	.			trans	-69.2	171.9	163.7	75.2	0	0	0	0	110.4	D430 G431 Y432	S428-D430 PolarHBondContact O-N 3.04Å; S428-D430 PolarHBondContact OG-N 3.22Å; S428-G431 PolarHBondContact O-N 2.99Å; S428-Y432 PolarHBondContact N-O 2.72Å; S428-Y432 PolarHBondContact OG-N 2.87Å; S428-Y432 VanDerWaalsContact OG-N 3.15Å
429	V	85.9	Confident	94.8	Very high	153 Å²	153	57.4 Å²	57.4	93%	0.927	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.5	177.3	-149	0	0	0	0	111.7	G431	V429-G431 VanDerWaalsContact C-N 3.26Å; V429-G431 PolarHBondContact O-N 3.35Å
430	D	86.1	Confident	95	Very high	135 Å²	135	56.2 Å²	56.2	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	2.4	177.9	-52.7	-51.1	0	0	0	113.1	S428 Y432	S428-D430 PolarHBondContact O-N 3.04Å; S428-D430 PolarHBondContact OG-N 3.22Å; D430-Y432 HydrophobicContact CB-CD2 3.95Å; D430-Y432 HydrophobicContact CB-CE2 4.49Å; D430-Y432 WeakPolarHBondContact O-CD2 3.31Å
431	G	87.5	Confident	95.2	Very high	20 Å²	20	51.9 Å²	51.9	21%	0.206	27%	0.269	C	S	.	.	S	Bend	trans	83.1	8.3	178.7	0	0	0	0	0	115.4	S428 V429 M486	S428-G431 PolarHBondContact O-N 2.99Å; V429-G431 VanDerWaalsContact C-N 3.26Å; V429-G431 PolarHBondContact O-N 3.35Å; G431-M486 VanDerWaalsContact O-CE 3.24Å; G431-M486 WeakPolarHBondContact O-CE 3.33Å
432	Y	93.6	Very high	95.3	Very high	119 Å²	119	51.8 Å²	51.8	47%	0.467	27%	0.269	S	S	.	.	S	Bend	trans	-88.6	179.9	176.9	-76	-93.2	0	0	0	112.3	L427 S428 D430 A434 M486	L427-Y432 CarbonylContact C-O 3.47Å; L427-Y432 VanDerWaalsContact CA-O 3.24Å; L427-Y432 WeakPolarHBondContact CA-O 3.2Å; S428-Y432 PolarHBondContact N-O 2.72Å; S428-Y432 PolarHBondContact OG-N 2.87Å; S428-Y432 VanDerWaalsContact OG-N 3.15Å; D430-Y432 HydrophobicContact CB-CD2 3.95Å; D430-Y432 HydrophobicContact CB-CE2 4.49Å; D430-Y432 WeakPolarHBondContact O-CD2 3.31Å; Y432-A434 PolarHBondContact O-N 3.17Å; Y432-M486 HydrophobicContact CD1-CE 3.81Å; Y432-M486 HydrophobicContact CD1-SD 4.11Å; Y432-M486 HydrophobicContact CD2-CE 4.46Å; Y432-M486 HydrophobicContact CE1-CE 4.03Å; Y432-M486 HydrophobicContact CE1-SD 4.13Å; Y432-M486 HydrophobicContact CG-CE 4.05Å
433	Y	95.7	Very high	95.3	Very high	96 Å²	96	52.6 Å²	52.6	38%	0.376	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	128.8	178.8	174.5	-101.1	0	0	0	112.5	W424	W424-Y433 HydrophobicContact CB-CD2 4.12Å; W424-Y433 AromaticContact CD1-CD2 3.55Å; W424-Y433 AromaticContact CD2-CD2 3.83Å; W424-Y433 HydrophobicContact CD2-CD2 3.83Å; W424-Y433 HydrophobicContact CD2-CG 4.47Å; W424-Y433 AromaticContact CE2-CD2 3.94Å; W424-Y433 AromaticContact CG-CD2 3.59Å; W424-Y433 HydrophobicContact CG-CD2 3.59Å; W424-Y433 HydrophobicContact CG-CE2 4.26Å; W424-Y433 VanDerWaalsContact CZ3-N 3.25Å; W424-Y433 AromaticContact NE1-CD2 3.78Å
434	A	95.9	Very high	95.2	Very high	26 Å²	26	58 Å²	58	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.1	159.3	0	0	0	0	0	110	A426 L427 Y432	A426-A434 CarbonylContact C-O 3.6Å; A426-A434 HydrophobicContact CB-CB 4.03Å; A426-A434 PolarHBondContact N-O 3.04Å; A426-A434 PolarHBondContact O-N 2.74Å; L427-A434 VanDerWaalsContact C-CB 3.45Å; Y432-A434 PolarHBondContact O-N 3.17Å
435	R	96.3	Very high	95	Very high	154 Å²	154	57.9 Å²	57.9	58%	0.581	31%	0.31	S	S	*	.			trans	-82.9	123.8	175.3	-175.5	-179.6	-65.7	175.1	1.2	109.6	Y439	R435-Y439 HydrophobicContact CG-CD1 4.12Å; R435-Y439 HydrophobicContact CG-CG 4.26Å
436	S	96.4	Very high	95	Very high	12 Å²	12	64.2 Å²	64.2	8%	0.084	33%	0.33	C	S	.	.			trans	-75	158.6	168.8	64.6	0	0	0	0	111.5	G425 D438 Y439	G425-S436 WeakPolarHBondContact CA-OG 3.27Å; S436-D438 VanDerWaalsContact CB-OD1 3.3Å; S436-D438 WeakPolarHBondContact CB-OD1 3.42Å; S436-D438 PolarHBondContact O-N 2.93Å; S436-D438 PolarHBondContact OG-OD1 3.44Å; S436-Y439 WeakPolarHBondContact O-CB 3.46Å; S436-Y439 PolarHBondContact O-N 2.68Å; S436-Y439 WeakPolarHBondContact OG-CB 3.36Å; S436-Y439 PolarHBondContact OG-N 2.83Å
437	E	95.8	Very high	95	Very high	149 Å²	149	64.4 Å²	64.4	70%	0.696	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.5	179.1	-61.5	-175.6	150.8	0	0	113.1	Y257	Y257-E437 PolarHBondContact OH-OE2 2.96Å
438	D	97.5	Very high	95.1	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.021	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.4	-176.4	61.6	-9.6	0	0	0	114.4	Y257 Y261 S436 V440 D441 I442	Y257-D438 HydrophobicContact CE2-CB 4.3Å; Y257-D438 WeakPolarHBondContact CE2-OD2 3.37Å; Y261-D438 WeakPolarHBondContact CE2-OD2 3.44Å; Y261-D438 WeakPolarHBondContact OH-CB 3.43Å; Y261-D438 PolarHBondContact OH-OD2 3.42Å; S436-D438 VanDerWaalsContact CB-OD1 3.3Å; S436-D438 WeakPolarHBondContact CB-OD1 3.42Å; S436-D438 PolarHBondContact O-N 2.93Å; S436-D438 PolarHBondContact OG-OD1 3.44Å; D438-V440 PolarHBondContact O-N 2.72Å; D438-D441 WeakPolarHBondContact O-CB 3.44Å; D438-D441 PolarHBondContact O-N 3.24Å; D438-I442 HydrophobicContact CB-CD1 4.29Å; D438-I442 WeakPolarHBondContact O-CG1 3.41Å; D438-I442 PolarHBondContact O-N 2.95Å
439	Y	98.3	Very high	95.3	Very high	6 Å²	6	63.8 Å²	63.8	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-54.5	-48.8	-173.3	179.6	-103.9	0	0	0	112.8	L419 S421 F423 R435 S436 D441 I442 V443	L419-Y439 HydrophobicContact CB-CE1 4.39Å; L419-Y439 PolarHBondContact O-OH 2.94Å; S421-Y439 PolarHBondContact N-OH 2.84Å; S421-Y439 WeakPolarHBondContact OG-CE2 3.48Å; S421-Y439 PolarHBondContact OG-OH 3.32Å; F423-Y439 HydrophobicContact CD1-CE2 4.48Å; F423-Y439 HydrophobicContact CD2-CE2 4.4Å; F423-Y439 HydrophobicContact CE1-CD2 4.4Å; F423-Y439 AromaticContact CE1-CE2 3.93Å; F423-Y439 HydrophobicContact CE1-CE2 3.93Å; F423-Y439 AromaticContact CE2-CD2 3.72Å; F423-Y439 HydrophobicContact CE2-CD2 3.72Å; F423-Y439 AromaticContact CE2-CE2 3.86Å; F423-Y439 HydrophobicContact CE2-CE2 3.86Å; F423-Y439 AromaticContact CZ-CD2 3.61Å; F423-Y439 HydrophobicContact CZ-CD2 3.61Å; F423-Y439 AromaticContact CZ-CE2 3.59Å; F423-Y439 HydrophobicContact CZ-CE2 3.59Å; R435-Y439 HydrophobicContact CG-CD1 4.12Å; R435-Y439 HydrophobicContact CG-CG 4.26Å; S436-Y439 WeakPolarHBondContact O-CB 3.46Å; S436-Y439 PolarHBondContact O-N 2.68Å; S436-Y439 WeakPolarHBondContact OG-CB 3.36Å; S436-Y439 PolarHBondContact OG-N 2.83Å; Y439-D441 VanDerWaalsContact C-N 3.3Å; Y439-D441 PolarHBondContact O-N 3.22Å; Y439-I442 PolarHBondContact O-N 2.84Å; Y439-V443 HydrophobicContact CD1-CG2 4.29Å; Y439-V443 HydrophobicContact CD2-CG2 4.28Å; Y439-V443 HydrophobicContact CE1-CG2 3.93Å; Y439-V443 HydrophobicContact CE2-CG2 3.89Å; Y439-V443 HydrophobicContact CG-CG2 4.47Å; Y439-V443 WeakPolarHBondContact O-CB 3.24Å; Y439-V443 WeakPolarHBondContact O-CG2 3.39Å; Y439-V443 PolarHBondContact O-N 3.14Å
440	V	97.9	Very high	95.8	Very high	32 Å²	32	57.2 Å²	57.2	19%	0.194	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-36.9	-178.6	-177.1	0	0	0	0	110.9	L419 D438 I442 Q444	L419-V440 HydrophobicContact CD1-CG2 4.08Å; L419-V440 HydrophobicContact CD2-CG1 4.13Å; D438-V440 PolarHBondContact O-N 2.72Å; V440-I442 VanDerWaalsContact C-N 3.35Å; V440-Q444 HydrophobicContact CG1-CG 4.18Å; V440-Q444 VanDerWaalsContact O-CB 3.28Å; V440-Q444 WeakPolarHBondContact O-CB 3.28Å; V440-Q444 VanDerWaalsContact O-CG 3.3Å; V440-Q444 WeakPolarHBondContact O-CG 3.3Å; V440-Q444 PolarHBondContact O-N 3.34Å
441	D	97.7	Very high	96.4	Very high	29 Å²	29	50.8 Å²	50.8	16%	0.155	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-39.3	177.9	-69.1	-11.3	0	0	0	111.9	D438 Y439 G445 R446 R447	D438-D441 WeakPolarHBondContact O-CB 3.44Å; D438-D441 PolarHBondContact O-N 3.24Å; Y439-D441 VanDerWaalsContact C-N 3.3Å; Y439-D441 PolarHBondContact O-N 3.22Å; D441-G445 PolarHBondContact O-N 3.46Å; D441-R446 HydrophobicContact CB-CB 4.18Å; D441-R446 WeakPolarHBondContact O-CA 3.38Å; D441-R446 WeakPolarHBondContact O-CB 3.39Å; D441-R446 PolarHBondContact O-N 3.02Å; D441-R446 IonicContact OD1-CZ 2.84Å; D441-R446 IonicContact OD1-NE 3.74Å; D441-R446 PolarHBondContact OD1-NE 3.14Å; D441-R446 IonicContact OD1-NH1 3.47Å; D441-R446 IonicContact OD1-NH2 3.75Å; D441-R446 PolarHBondContact OD1-NH2 2.92Å; D441-R447 HydrophobicContact CB-CB 4.33Å; D441-R447 HydrophobicContact CB-CG 3.81Å; D441-R447 PolarHBondContact O-N 3.49Å; D441-R447 IonicContact OD2-CZ 3.14Å; D441-R447 IonicContact OD2-NE 3.65Å; D441-R447 PolarHBondContact OD2-NE 3.49Å; D441-R447 IonicContact OD2-NH2 3.89Å; D441-R447 PolarHBondContact OD2-NH2 2.96Å
442	I	98.1	Very high	97	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-68.8	-50.1	177.1	-65.8	169.8	0	0	0	110.4	M412 F423 D438 Y439 V440 Q444 G445 R447 W451 N503	M412-I442 HydrophobicContact SD-CG2 3.94Å; F423-I442 HydrophobicContact CE1-CG2 4.25Å; F423-I442 HydrophobicContact CE2-CG2 4.48Å; F423-I442 HydrophobicContact CZ-CB 4.26Å; F423-I442 HydrophobicContact CZ-CG2 3.69Å; D438-I442 HydrophobicContact CB-CD1 4.29Å; D438-I442 WeakPolarHBondContact O-CG1 3.41Å; D438-I442 PolarHBondContact O-N 2.95Å; Y439-I442 PolarHBondContact O-N 2.84Å; V440-I442 VanDerWaalsContact C-N 3.35Å; I442-Q444 VanDerWaalsContact C-N 3.34Å; I442-Q444 PolarHBondContact O-N 3.25Å; I442-G445 PolarHBondContact O-N 3.48Å; I442-G445 VanDerWaalsContact O-N 3.11Å; I442-R447 HydrophobicContact CG1-CB 4.46Å; I442-W451 HydrophobicContact CD1-CB 4.44Å; I442-W451 HydrophobicContact CD1-CD2 3.59Å; I442-W451 HydrophobicContact CD1-CE3 3.79Å; I442-W451 HydrophobicContact CD1-CG 3.87Å; I442-W451 HydrophobicContact CD1-CZ3 4.36Å; I442-W451 HydrophobicContact CG1-CD2 3.96Å; I442-W451 HydrophobicContact CG1-CE3 4.35Å; I442-W451 HydrophobicContact CG1-CG 4.42Å; I442-W451 HydrophobicContact CG1-CH2 4.47Å; I442-W451 HydrophobicContact CG1-CZ2 4.08Å; I442-W451 HydrophobicContact CG2-CG 4.41Å; I442-N503 PolarHBondContact O-ND2 2.75Å
443	V	97.4	Very high	97.2	Very high	16 Å²	16	45 Å²	45	10%	0.097	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-39.9	-178.1	168.1	0	0	0	0	112.2	T414 L419 F423 Y439 G445	T414-V443 HydrophobicContact CG2-CG1 3.9Å; L419-V443 HydrophobicContact CD2-CG1 3.9Å; F423-V443 HydrophobicContact CE1-CG2 3.85Å; F423-V443 HydrophobicContact CZ-CG2 4.06Å; Y439-V443 HydrophobicContact CD1-CG2 4.29Å; Y439-V443 HydrophobicContact CD2-CG2 4.28Å; Y439-V443 HydrophobicContact CE1-CG2 3.93Å; Y439-V443 HydrophobicContact CE2-CG2 3.89Å; Y439-V443 HydrophobicContact CG-CG2 4.47Å; Y439-V443 WeakPolarHBondContact O-CB 3.24Å; Y439-V443 WeakPolarHBondContact O-CG2 3.39Å; Y439-V443 PolarHBondContact O-N 3.14Å; V443-G445 VanDerWaalsContact C-N 3.27Å; V443-G445 PolarHBondContact O-N 3.43Å
444	Q	96	Very high	97.3	Very high	113 Å²	113	40.8 Å²	40.8	53%	0.528	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.7	179.3	-66.4	-178.9	-23.2	0	0	113.6	L419 V440 I442 R446	L419-Q444 HydrophobicContact CD2-CG 4.29Å; V440-Q444 HydrophobicContact CG1-CG 4.18Å; V440-Q444 VanDerWaalsContact O-CB 3.28Å; V440-Q444 WeakPolarHBondContact O-CB 3.28Å; V440-Q444 VanDerWaalsContact O-CG 3.3Å; V440-Q444 WeakPolarHBondContact O-CG 3.3Å; V440-Q444 PolarHBondContact O-N 3.34Å; I442-Q444 VanDerWaalsContact C-N 3.34Å; I442-Q444 PolarHBondContact O-N 3.25Å; Q444-R446 VanDerWaalsContact C-N 3.26Å; Q444-R446 HydrophobicContact CB-CG 4.31Å; Q444-R446 PolarHBondContact O-N 3.38Å
445	G	95.4	Very high	97.4	Very high	38 Å²	38	40.4 Å²	40.4	39%	0.392	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	19.5	-177.8	0	0	0	0	0	114.2	D441 I442 V443 R447 V448	D441-G445 PolarHBondContact O-N 3.46Å; I442-G445 PolarHBondContact O-N 3.48Å; I442-G445 VanDerWaalsContact O-N 3.11Å; V443-G445 VanDerWaalsContact C-N 3.27Å; V443-G445 PolarHBondContact O-N 3.43Å; G445-R447 VanDerWaalsContact C-N 3.33Å; G445-V448 WeakPolarHBondContact O-CG2 3.41Å
446	R	96.6	Very high	97.6	Very high	147 Å²	147	33 Å²	33	56%	0.555	17%	0.167	S	C	*	.	S	Bend	trans	-71.8	-31.8	170.2	-63.4	-170.3	-76	-178.2	0.7	111.2	D441 Q444	D441-R446 HydrophobicContact CB-CB 4.18Å; D441-R446 WeakPolarHBondContact O-CA 3.38Å; D441-R446 WeakPolarHBondContact O-CB 3.39Å; D441-R446 PolarHBondContact O-N 3.02Å; D441-R446 IonicContact OD1-CZ 2.84Å; D441-R446 IonicContact OD1-NE 3.74Å; D441-R446 PolarHBondContact OD1-NE 3.14Å; D441-R446 IonicContact OD1-NH1 3.47Å; D441-R446 IonicContact OD1-NH2 3.75Å; D441-R446 PolarHBondContact OD1-NH2 2.92Å; Q444-R446 VanDerWaalsContact C-N 3.26Å; Q444-R446 HydrophobicContact CB-CG 4.31Å; Q444-R446 PolarHBondContact O-N 3.38Å
447	R	97.4	Very high	97.6	Very high	32 Å²	32	32.7 Å²	32.7	12%	0.121	17%	0.165	C	C	.	.	S	Bend	trans	-120.9	115.8	169.4	-61.6	-178.9	-160.3	-172.2	4.5	109.1	Y261 W266 D441 I442 G445 W451 N503	Y261-R447 PolarHBondContact OH-NH1 2.85Å; W266-R447 HydrophobicContact CH2-CB 4.27Å; W266-R447 HydrophobicContact CH2-CG 3.55Å; W266-R447 HydrophobicContact CZ2-CB 3.74Å; W266-R447 HydrophobicContact CZ2-CG 3.53Å; W266-R447 HydrophobicContact CZ3-CG 4.21Å; D441-R447 HydrophobicContact CB-CB 4.33Å; D441-R447 HydrophobicContact CB-CG 3.81Å; D441-R447 PolarHBondContact O-N 3.49Å; D441-R447 IonicContact OD2-CZ 3.14Å; D441-R447 IonicContact OD2-NE 3.65Å; D441-R447 PolarHBondContact OD2-NE 3.49Å; D441-R447 IonicContact OD2-NH2 3.89Å; D441-R447 PolarHBondContact OD2-NH2 2.96Å; I442-R447 HydrophobicContact CG1-CB 4.46Å; G445-R447 VanDerWaalsContact C-N 3.33Å; R447-W451 HydrophobicContact CB-CH2 3.71Å; R447-W451 HydrophobicContact CB-CZ2 3.67Å; R447-N503 PolarHBondContact O-ND2 2.95Å
448	V	97.8	Very high	97.7	Very high	57 Å²	57	25.9 Å²	25.9	35%	0.345	13%	0.133	S	C	.	.			trans	-113.7	130.7	-176.8	173.3	0	0	0	0	110.1	W266 G445 N503 L504	W266-V448 PolarHBondContact NE1-O 2.81Å; W266-V448 VanDerWaalsContact NE1-O 3.12Å; G445-V448 WeakPolarHBondContact O-CG2 3.41Å; V448-N503 WeakPolarHBondContact CA-OD1 3.22Å; V448-N503 VanDerWaalsContact CG1-O 3.29Å; V448-N503 WeakPolarHBondContact CG1-O 3.36Å; V448-L504 HydrophobicContact CG1-CD2 4.02Å
449	G	97.8	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	172.5	-159.4	-173	0	0	0	0	0	114.9	C275 N503	C275-G449 VanDerWaalsContact SG-CA 3.56Å; G449-N503 PolarHBondContact N-OD1 3.36Å; G449-N503 PolarHBondContact O-N 3.48Å; G449-N503 VanDerWaalsContact O-N 3.17Å; G449-N503 PolarHBondContact O-OD1 3.01Å
450	L	97.5	Very high	97.8	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.073	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.3	170.9	-68.2	170.1	0	0	0	107.8	C275 Q404 L406 V501 N502 L504	C275-L450 HydrophobicContact CB-CD1 4.18Å; C275-L450 HydrophobicContact CB-CG 4.37Å; C275-L450 VanDerWaalsContact SG-CG 3.52Å; C275-L450 PolarHBondContact SG-N 3.21Å; Q404-L450 HydrophobicContact CG-CD2 4.37Å; L406-L450 HydrophobicContact CD1-CD1 4.22Å; L406-L450 HydrophobicContact CD1-CD2 4.18Å; L450-V501 WeakPolarHBondContact CA-O 3.45Å; L450-N502 HydrophobicContact CD2-CB 3.57Å; L450-L504 HydrophobicContact CD2-CD1 4.45Å; L450-L504 HydrophobicContact CG-CD1 4.32Å
451	W	98.4	Very high	97.8	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.2	-170.1	-49.2	92.9	0	0	0	109.7	N260 Y261 W266 I442 R447 V453 Y500 V501 N503	N260-W451 HydrophobicContact CB-CE3 4.02Å; N260-W451 HydrophobicContact CB-CZ3 4.34Å; Y261-W451 HydrophobicContact CE1-CH2 4.26Å; Y261-W451 AromaticContact CE1-CZ3 3.84Å; Y261-W451 HydrophobicContact CE1-CZ3 3.84Å; Y261-W451 HydrophobicContact CE2-CZ3 4.26Å; Y261-W451 AromaticContact CZ-CZ3 3.59Å; Y261-W451 WeakPolarHBondContact OH-CZ3 3.26Å; W266-W451 HydrophobicContact CB-CH2 4.29Å; W266-W451 HydrophobicContact CB-CZ3 4.47Å; W266-W451 AromaticContact CD1-CH2 3.59Å; W266-W451 AromaticContact CD1-CZ2 3.97Å; W266-W451 AromaticContact CD2-CH2 3.98Å; W266-W451 HydrophobicContact CD2-CH2 3.98Å; W266-W451 AromaticContact CG-CH2 3.7Å; W266-W451 HydrophobicContact CG-CH2 3.7Å; W266-W451 HydrophobicContact CG-CZ3 4.33Å; W266-W451 AromaticContact NE1-CH2 3.83Å; I442-W451 HydrophobicContact CD1-CB 4.44Å; I442-W451 HydrophobicContact CD1-CD2 3.59Å; I442-W451 HydrophobicContact CD1-CE3 3.79Å; I442-W451 HydrophobicContact CD1-CG 3.87Å; I442-W451 HydrophobicContact CD1-CZ3 4.36Å; I442-W451 HydrophobicContact CG1-CD2 3.96Å; I442-W451 HydrophobicContact CG1-CE3 4.35Å; I442-W451 HydrophobicContact CG1-CG 4.42Å; I442-W451 HydrophobicContact CG1-CH2 4.47Å; I442-W451 HydrophobicContact CG1-CZ2 4.08Å; I442-W451 HydrophobicContact CG2-CG 4.41Å; R447-W451 HydrophobicContact CB-CH2 3.71Å; R447-W451 HydrophobicContact CB-CZ2 3.67Å; W451-V453 HydrophobicContact CB-CG1 4.03Å; W451-V453 PolarHBondContact O-N 3.4Å; W451-Y500 CarbonylContact O-C 3.54Å; W451-Y500 WeakPolarHBondContact O-CA 3.12Å; W451-V501 HydrophobicContact CB-CG1 3.79Å; W451-V501 HydrophobicContact CG-CG1 4.29Å; W451-V501 PolarHBondContact N-O 2.9Å; W451-V501 PolarHBondContact O-N 2.91Å; W451-N503 PolarHBondContact NE1-OD1 3.3Å
452	N	98.4	Very high	97.9	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.053	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	116.5	168.7	-178.4	-1.8	0	0	0	108.7	N256 N260 F498 M499 Y500	N256-N452 WeakPolarHBondContact CB-ND2 3.23Å; N256-N452 VanDerWaalsContact CG-ND2 3.26Å; N256-N452 PolarHBondContact ND2-ND2 3.2Å; N260-N452 PolarHBondContact ND2-N 3.48Å; N260-N452 PolarHBondContact ND2-O 2.99Å; N260-N452 VanDerWaalsContact OD1-CB 3.3Å; N260-N452 WeakPolarHBondContact OD1-CB 3.35Å; N260-N452 PolarHBondContact OD1-N 2.98Å; N452-F498 WeakPolarHBondContact ND2-CD1 3.41Å; N452-F498 WeakPolarHBondContact ND2-CD2 3.44Å; N452-F498 VanDerWaalsContact ND2-CE2 3.33Å; N452-F498 WeakPolarHBondContact ND2-CE2 3.31Å; N452-F498 WeakPolarHBondContact ND2-CG 3.47Å; N452-M499 CarbonylContact C-O 3.6Å; N452-M499 WeakPolarHBondContact CA-O 3.48Å; N452-M499 PolarHBondContact OD1-O 2.88Å; N452-Y500 HydrophobicContact CB-CD1 4.27Å; N452-Y500 HydrophobicContact CB-CE1 4.05Å
453	V	98.6	Very high	97.8	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.042	13%	0.127	C	C	.	.			trans	-129.6	149.1	-171.2	-68.7	0	0	0	0	111	F423 W451 Y455 I456 M499 V501	F423-V453 HydrophobicContact CB-CG2 4.43Å; F423-V453 HydrophobicContact CD2-CB 4.23Å; F423-V453 HydrophobicContact CD2-CG1 3.77Å; F423-V453 HydrophobicContact CD2-CG2 4.42Å; F423-V453 HydrophobicContact CE2-CG1 4.11Å; W451-V453 HydrophobicContact CB-CG1 4.03Å; W451-V453 PolarHBondContact O-N 3.4Å; V453-Y455 VanDerWaalsContact C-N 3.33Å; V453-Y455 PolarHBondContact O-N 2.87Å; V453-I456 HydrophobicContact CG2-CG2 3.73Å; V453-M499 PolarHBondContact N-O 3.22Å; V453-V501 HydrophobicContact CG1-CG1 3.79Å; V453-V501 HydrophobicContact CG2-CB 4.18Å; V453-V501 HydrophobicContact CG2-CG1 4.05Å
454	P	98.3	Very high	97.8	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.052	12%	0.123	C	C	.	.	S	Bend	trans	-72.1	-21.9	-177.4	27.2	-37.1	0	0	0	114.6	L253 W424 L427 R493 M499	L253-P454 HydrophobicContact CD1-CB 4.04Å; L253-P454 HydrophobicContact CD2-CB 3.95Å; W424-P454 WeakPolarHBondContact O-CD 3.37Å; W424-P454 WeakPolarHBondContact O-CG 3.45Å; L427-P454 HydrophobicContact CD1-CB 4Å; L427-P454 HydrophobicContact CD2-CB 4.13Å; L427-P454 HydrophobicContact CD2-CG 4.24Å; L427-P454 HydrophobicContact CG-CB 3.76Å; L427-P454 HydrophobicContact CG-CG 4.06Å; P454-R493 WeakPolarHBondContact O-CD 3.37Å; P454-R493 PolarHBondContact O-NH1 2.97Å; P454-M499 WeakPolarHBondContact O-CE 3.42Å
455	Y	98.7	Very high	97.8	Very high	17 Å²	17	22.1 Å²	22.1	7%	0.067	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	138.7	-173.6	175.8	-84	0	0	0	110.7	F423 W424 V453 S457 D485 M486 C489	F423-Y455 VanDerWaalsContact CA-O 3.24Å; F423-Y455 WeakPolarHBondContact CA-O 3.11Å; F423-Y455 WeakPolarHBondContact CB-O 3.27Å; W424-Y455 HydrophobicContact CB-CD1 4.27Å; W424-Y455 HydrophobicContact CB-CG 4.41Å; W424-Y455 AromaticContact CD1-CD1 3.58Å; W424-Y455 AromaticContact CD1-CE1 3.96Å; W424-Y455 AromaticContact CD2-CD1 3.6Å; W424-Y455 HydrophobicContact CD2-CD1 3.6Å; W424-Y455 HydrophobicContact CD2-CD2 4.17Å; W424-Y455 HydrophobicContact CD2-CE1 4.14Å; W424-Y455 AromaticContact CD2-CG 3.62Å; W424-Y455 HydrophobicContact CD2-CG 3.62Å; W424-Y455 AromaticContact CE2-CD1 3.71Å; W424-Y455 AromaticContact CE2-CE1 3.74Å; W424-Y455 HydrophobicContact CE3-CD1 4.27Å; W424-Y455 HydrophobicContact CE3-CD2 4.05Å; W424-Y455 AromaticContact CE3-CG 3.81Å; W424-Y455 HydrophobicContact CE3-CG 3.81Å; W424-Y455 AromaticContact CG-CD1 3.55Å; W424-Y455 HydrophobicContact CG-CD1 3.55Å; W424-Y455 HydrophobicContact CG-CE1 4.29Å; W424-Y455 AromaticContact CG-CG 3.88Å; W424-Y455 HydrophobicContact CG-CG 3.88Å; W424-Y455 HydrophobicContact CH2-CD2 4.37Å; W424-Y455 HydrophobicContact CH2-CE2 4.3Å; W424-Y455 HydrophobicContact CZ2-CD1 4.46Å; W424-Y455 HydrophobicContact CZ2-CD2 4.46Å; W424-Y455 HydrophobicContact CZ2-CE1 4.22Å; W424-Y455 HydrophobicContact CZ2-CE2 4.21Å; W424-Y455 HydrophobicContact CZ3-CD2 4.15Å; W424-Y455 HydrophobicContact CZ3-CG 4.37Å; W424-Y455 PolarHBondContact N-O 3.23Å; W424-Y455 VanDerWaalsContact N-O 3.08Å; W424-Y455 AromaticContact NE1-CD1 3.63Å; W424-Y455 AromaticContact NE1-CE1 3.57Å; V453-Y455 VanDerWaalsContact C-N 3.33Å; V453-Y455 PolarHBondContact O-N 2.87Å; Y455-S457 WeakPolarHBondContact OH-CB 3.27Å; Y455-D485 HydrophobicContact CE2-CB 4.03Å; Y455-D485 WeakPolarHBondContact OH-CB 3.34Å; Y455-M486 HydrophobicContact CD2-CG 4.32Å; Y455-M486 HydrophobicContact CE2-CB 4.49Å; Y455-M486 HydrophobicContact CE2-CG 3.81Å; Y455-C489 HydrophobicContact CD2-CB 3.98Å
456	I	98.6	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154	171.3	59.6	174.6	0	0	0	108.8	I408 A410 N422 F423 V453 Y460 C489 M499	I408-I456 HydrophobicContact CG2-CD1 3.35Å; A410-I456 HydrophobicContact CB-CB 4.02Å; A410-I456 HydrophobicContact CB-CD1 4.29Å; A410-I456 HydrophobicContact CB-CG2 3.89Å; N422-I456 CarbonylContact O-C 3.54Å; N422-I456 WeakPolarHBondContact O-CA 3.31Å; F423-I456 HydrophobicContact CB-CG2 4.33Å; V453-I456 HydrophobicContact CG2-CG2 3.73Å; I456-Y460 HydrophobicContact CD1-CD1 4.29Å; I456-Y460 HydrophobicContact CD1-CG 3.98Å; I456-Y460 HydrophobicContact CG1-CD1 4.41Å; I456-C489 PolarHBondContact N-SG 2.97Å; I456-C489 PolarHBondContact O-SG 2.92Å; I456-M499 HydrophobicContact CD1-CB 4.2Å; I456-M499 HydrophobicContact CD1-CG 4.27Å; I456-M499 HydrophobicContact CD1-SD 4.28Å; I456-M499 HydrophobicContact CG1-CB 4.46Å; I456-M499 HydrophobicContact CG1-SD 4Å; I456-M499 HydrophobicContact CG2-CB 4.48Å
457	S	97.9	Very high	97.7	Very high	4 Å²	4	13.9 Å²	13.9	3%	0.028	8%	0.076	C	C	.	.			trans	-150.6	177.5	177.7	62	0	0	0	0	112.1	N422 Y455 V459 D485	N422-S457 WeakPolarHBondContact CB-O 3.16Å; N422-S457 PolarHBondContact ND2-O 3.44Å; N422-S457 PolarHBondContact O-N 2.82Å; Y455-S457 WeakPolarHBondContact OH-CB 3.27Å; S457-V459 PolarHBondContact O-N 3.22Å; S457-D485 WeakPolarHBondContact CB-OD2 3.47Å
458	S	97.4	Very high	97.4	Very high	6 Å²	6	15.9 Å²	15.9	4%	0.042	9%	0.087	C	C	.	.	S	Bend	trans	63.7	-52.2	171.4	-46.1	0	0	0	0	116.7	N385 D387	N385-S458 PolarHBondContact ND2-O 3.46Å; D387-S458 PolarHBondContact N-O 3.06Å; D387-S458 WeakPolarHBondContact OD2-CA 3.34Å
459	V	98.7	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	124.4	177.4	56.3	0	0	0	0	111.4	F384 N385 L386 V390 L392 A410 P411 I413 S457	F384-V459 HydrophobicContact CE2-CG2 3.52Å; F384-V459 HydrophobicContact CZ-CG2 3.55Å; N385-V459 VanDerWaalsContact O-CA 3.3Å; N385-V459 WeakPolarHBondContact O-CA 3.36Å; L386-V459 HydrophobicContact CD1-CB 4.12Å; L386-V459 HydrophobicContact CD1-CG2 3.87Å; V390-V459 HydrophobicContact CG1-CB 4.19Å; V390-V459 HydrophobicContact CG1-CG1 4.06Å; V390-V459 HydrophobicContact CG2-CB 4.2Å; V390-V459 HydrophobicContact CG2-CG1 4.28Å; L392-V459 HydrophobicContact CD2-CG2 4.45Å; A410-V459 WeakPolarHBondContact CB-O 3.34Å; P411-V459 WeakPolarHBondContact CD-O 3.07Å; P411-V459 HydrophobicContact CG-CB 4.4Å; P411-V459 HydrophobicContact CG-CG1 3.75Å; P411-V459 HydrophobicContact CG-CG2 3.77Å; I413-V459 HydrophobicContact CD1-CG1 3.52Å; I413-V459 HydrophobicContact CG1-CG1 4.07Å; S457-V459 PolarHBondContact O-N 3.22Å
460	Y	98.9	Very high	96.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	151.7	178.5	48	-95.1	0	0	0	112	F371 F384 N385 V409 I456 V462 F488	F371-Y460 HydrophobicContact CE2-CE2 4.45Å; F371-Y460 HydrophobicContact CZ-CE2 4.1Å; F384-Y460 WeakPolarHBondContact CD2-O 3.23Å; N385-Y460 HydrophobicContact CB-CD1 4.16Å; N385-Y460 HydrophobicContact CB-CD2 3.69Å; N385-Y460 HydrophobicContact CB-CE1 3.86Å; N385-Y460 HydrophobicContact CB-CE2 3.35Å; N385-Y460 HydrophobicContact CB-CG 4.08Å; N385-Y460 VanDerWaalsContact CB-CZ 3.45Å; N385-Y460 VanDerWaalsContact CG-CZ 3.43Å; N385-Y460 PolarHBondContact N-O 2.85Å; N385-Y460 PolarHBondContact O-N 2.88Å; N385-Y460 PolarHBondContact OD1-OH 2.8Å; V409-Y460 WeakPolarHBondContact O-CA 3.4Å; I456-Y460 HydrophobicContact CD1-CD1 4.29Å; I456-Y460 HydrophobicContact CD1-CG 3.98Å; I456-Y460 HydrophobicContact CG1-CD1 4.41Å; Y460-V462 HydrophobicContact CD2-CG2 3.85Å; Y460-V462 HydrophobicContact CE2-CG2 4.16Å; Y460-F488 HydrophobicContact CD2-CE1 4.5Å; Y460-F488 AromaticContact CE2-CE1 3.97Å; Y460-F488 HydrophobicContact CE2-CE1 3.97Å; Y460-F488 HydrophobicContact CE2-CZ 4.23Å
461	L	98.8	Very high	96.3	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.9	175.7	-170.7	75.9	0	0	0	109.4	Y382 F383 F384 L398 L401 I402 I408 V409	Y382-L461 HydrophobicContact CD1-CD1 4.26Å; Y382-L461 HydrophobicContact CD1-CD2 3.72Å; Y382-L461 HydrophobicContact CD1-CG 3.87Å; Y382-L461 HydrophobicContact CE1-CD2 4.13Å; Y382-L461 HydrophobicContact CG-CD1 4.24Å; Y382-L461 HydrophobicContact CG-CD2 4.28Å; Y382-L461 HydrophobicContact CG-CG 4.35Å; F383-L461 CarbonylContact O-C 3.58Å; F383-L461 WeakPolarHBondContact O-CA 3.47Å; F384-L461 HydrophobicContact CB-CD1 3.82Å; F384-L461 HydrophobicContact CD2-CB 4.2Å; F384-L461 HydrophobicContact CD2-CD1 3.97Å; F384-L461 HydrophobicContact CG-CD1 4.23Å; L398-L461 HydrophobicContact CD1-CD1 3.72Å; L401-L461 HydrophobicContact CB-CB 4.14Å; L401-L461 HydrophobicContact CB-CD2 3.74Å; L401-L461 HydrophobicContact CD1-CB 4.21Å; I402-L461 HydrophobicContact CB-CD2 4.34Å; I402-L461 HydrophobicContact CG1-CD2 3.6Å; I408-L461 CarbonylContact C-O 3.58Å; I408-L461 VanDerWaalsContact CA-O 3.32Å; I408-L461 WeakPolarHBondContact CA-O 3.32Å; V409-L461 HydrophobicContact CG1-CB 4.16Å; V409-L461 PolarHBondContact N-O 2.83Å; V409-L461 PolarHBondContact O-N 3.33Å
462	V	98.6	Very high	95.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.3	175.7	-176	0	0	0	0	109	F371 Y382 F383 I408 Y460 L466 L467 F488	F371-V462 HydrophobicContact CE1-CG2 4.38Å; F371-V462 HydrophobicContact CZ-CG2 4.11Å; Y382-V462 CarbonylContact C-O 3.58Å; Y382-V462 WeakPolarHBondContact CA-O 3.27Å; F383-V462 HydrophobicContact CB-CB 4.44Å; F383-V462 PolarHBondContact N-O 3.23Å; F383-V462 PolarHBondContact O-N 3.36Å; I408-V462 HydrophobicContact CG1-CG1 4.12Å; I408-V462 HydrophobicContact CG1-CG2 4.25Å; I408-V462 HydrophobicContact CG2-CG2 4.32Å; Y460-V462 HydrophobicContact CD2-CG2 3.85Å; Y460-V462 HydrophobicContact CE2-CG2 4.16Å; V462-L466 HydrophobicContact CG1-CD2 4.21Å; V462-L467 HydrophobicContact CG1-CD1 4.37Å; V462-L467 HydrophobicContact CG1-CD2 3.86Å; V462-L467 HydrophobicContact CG1-CG 3.96Å; V462-F488 HydrophobicContact CG2-CZ 4.41Å
463	K	97.6	Very high	95.1	Very high	57 Å²	57	29.6 Å²	29.6	25%	0.248	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.8	174.4	-163.3	172.6	-178.2	167.7	0	110.2	Y382 N405 P407 S465 L466	Y382-K463 HydrophobicContact CD1-CB 4.35Å; Y382-K463 HydrophobicContact CD1-CG 4.4Å; Y382-K463 HydrophobicContact CE1-CB 4.22Å; Y382-K463 HydrophobicContact CE1-CG 3.99Å; N405-K463 PolarHBondContact OD1-NZ 3.18Å; P407-K463 PolarHBondContact O-N 3.4Å; K463-S465 WeakPolarHBondContact CG-OG 3.27Å; K463-S465 PolarHBondContact O-N 2.66Å; K463-L466 WeakPolarHBondContact O-CB 3.38Å; K463-L466 PolarHBondContact O-N 2.93Å
464	A	96.7	Very high	94.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-34.3	-175.8	0	0	0	0	0	113	C374 C380 D381 L466 L467 Q468	C374-A464 WeakPolarHBondContact SG-CB 3.35Å; C380-A464 HydrophobicContact CB-CB 4.37Å; C380-A464 WeakPolarHBondContact O-CB 3.32Å; D381-A464 VanDerWaalsContact C-CB 3.42Å; D381-A464 VanDerWaalsContact O-CB 3.27Å; D381-A464 WeakPolarHBondContact O-CB 3.39Å; D381-A464 PolarHBondContact O-N 3.28Å; A464-L466 PolarHBondContact O-N 3.4Å; A464-L466 VanDerWaalsContact O-N 3.14Å; A464-L467 WeakPolarHBondContact O-CB 3.31Å; A464-L467 PolarHBondContact O-N 3.18Å; A464-Q468 WeakPolarHBondContact O-CG 3.46Å; A464-Q468 PolarHBondContact O-N 3.42Å
465	S	95.7	Very high	94	Very high	62 Å²	62	41.5 Å²	41.5	43%	0.434	21%	0.207	S	C	.	.	H	α-helix	trans	-57.6	-30	176.1	65.4	0	0	0	0	112.8	K463 A469	K463-S465 WeakPolarHBondContact CG-OG 3.27Å; K463-S465 PolarHBondContact O-N 2.66Å; S465-A469 WeakPolarHBondContact O-CB 3.46Å; S465-A469 PolarHBondContact O-N 3.44Å
466	L	95.3	Very high	93.7	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-44.6	175.6	-178.2	71.8	0	0	0	111.2	P407 I408 V462 K463 A464 Q468 A469 E470 L471 V497	P407-L466 HydrophobicContact CB-CD2 4.25Å; I408-L466 HydrophobicContact CD1-CD2 3.75Å; I408-L466 HydrophobicContact CG1-CD2 3.68Å; V462-L466 HydrophobicContact CG1-CD2 4.21Å; K463-L466 WeakPolarHBondContact O-CB 3.38Å; K463-L466 PolarHBondContact O-N 2.93Å; A464-L466 PolarHBondContact O-N 3.4Å; A464-L466 VanDerWaalsContact O-N 3.14Å; L466-Q468 PolarHBondContact O-N 2.79Å; L466-A469 PolarHBondContact O-N 3.16Å; L466-E470 HydrophobicContact CD1-CB 3.89Å; L466-E470 HydrophobicContact CD1-CG 4.23Å; L466-E470 PolarHBondContact O-N 3.21Å; L466-L471 HydrophobicContact CD2-CD1 3.68Å; L466-L471 HydrophobicContact CD2-CG 4.36Å; L466-L471 HydrophobicContact CG-CD1 3.85Å; L466-L471 HydrophobicContact CG-CG 4.03Å; L466-L471 PolarHBondContact O-N 2.92Å; L466-V497 HydrophobicContact CD1-CG1 3.99Å; L466-V497 HydrophobicContact CD1-CG2 3.8Å; L466-V497 HydrophobicContact CD2-CG1 3.8Å
467	L	94.1	Very high	93.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-34.9	176.3	-59.2	-178.2	0	0	0	112.2	F371 C374 R375 F383 V462 A464 L471 L476	F371-L467 HydrophobicContact CD1-CD1 3.99Å; F371-L467 HydrophobicContact CD1-CD2 3.45Å; F371-L467 VanDerWaalsContact CD1-CD2 3.45Å; F371-L467 HydrophobicContact CD1-CG 4.37Å; F371-L467 HydrophobicContact CE1-CD1 4.49Å; F371-L467 HydrophobicContact CE1-CD2 3.66Å; F371-L467 HydrophobicContact CG-CD1 4.49Å; C374-L467 HydrophobicContact CB-CD1 4.44Å; R375-L467 HydrophobicContact CB-CB 4.26Å; R375-L467 HydrophobicContact CG-CB 4.4Å; R375-L467 PolarHBondContact NE-O 3.23Å; F383-L467 HydrophobicContact CB-CD1 4.25Å; V462-L467 HydrophobicContact CG1-CD1 4.37Å; V462-L467 HydrophobicContact CG1-CD2 3.86Å; V462-L467 HydrophobicContact CG1-CG 3.96Å; A464-L467 WeakPolarHBondContact O-CB 3.31Å; A464-L467 PolarHBondContact O-N 3.18Å; L467-L471 HydrophobicContact CD2-CB 4.29Å; L467-L471 HydrophobicContact CD2-CD1 4.15Å; L467-L471 CarbonylContact O-C 3.49Å; L467-L471 VanDerWaalsContact O-O 3.08Å; L467-L476 HydrophobicContact CD2-CD1 4.45Å
468	Q	92.6	Very high	93.2	Very high	75 Å²	75	43.3 Å²	43.3	35%	0.35	22%	0.22	S	C	.	.	H	α-helix	trans	-81.8	-33.4	-178	-65.8	163.1	1	0	0	112.7	R375 D377 A464 L466 K472	R375-Q468 WeakPolarHBondContact O-CG 3.44Å; D377-Q468 PolarHBondContact O-NE2 3.06Å; A464-Q468 WeakPolarHBondContact O-CG 3.46Å; A464-Q468 PolarHBondContact O-N 3.42Å; L466-Q468 PolarHBondContact O-N 2.79Å; Q468-K472 VanDerWaalsContact O-CE 3.29Å; Q468-K472 WeakPolarHBondContact O-CE 3.47Å
469	A	89.9	Confident	92.8	Very high	62 Å²	62	45.5 Å²	45.5	51%	0.512	24%	0.235	S	C	.	.	H	α-helix	trans	-101.5	-41.9	-171.8	0	0	0	0	0	114.5	S465 L466 K472	S465-A469 WeakPolarHBondContact O-CB 3.46Å; S465-A469 PolarHBondContact O-N 3.44Å; L466-A469 PolarHBondContact O-N 3.16Å; A469-K472 VanDerWaalsContact O-CE 3.23Å; A469-K472 WeakPolarHBondContact O-CE 3.4Å
470	E	89.1	Confident	92.2	Very high	97 Å²	97	55.5 Å²	55.5	45%	0.453	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-39.1	-168.2	-60	-173.1	-156.1	0	0	112.7	L466 K472 V497	L466-E470 HydrophobicContact CD1-CB 3.89Å; L466-E470 HydrophobicContact CD1-CG 4.23Å; L466-E470 PolarHBondContact O-N 3.21Å; E470-K472 PolarHBondContact O-N 3.37Å; E470-V497 WeakPolarHBondContact OE2-CG2 3.26Å
471	L	91.1	Very high	91.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.312	C	S	.	.			trans	-99.6	57.9	-180	-55.9	179	0	0	0	111.4	R375 L466 L467 D473 L476 V492 K495	R375-L471 PolarHBondContact NE-O 2.98Å; R375-L471 PolarHBondContact NH2-O 2.88Å; L466-L471 HydrophobicContact CD2-CD1 3.68Å; L466-L471 HydrophobicContact CD2-CG 4.36Å; L466-L471 HydrophobicContact CG-CD1 3.85Å; L466-L471 HydrophobicContact CG-CG 4.03Å; L466-L471 PolarHBondContact O-N 2.92Å; L467-L471 HydrophobicContact CD2-CB 4.29Å; L467-L471 HydrophobicContact CD2-CD1 4.15Å; L467-L471 CarbonylContact O-C 3.49Å; L467-L471 VanDerWaalsContact O-O 3.08Å; L471-D473 VanDerWaalsContact C-N 3.29Å; L471-D473 PolarHBondContact O-N 3.22Å; L471-L476 HydrophobicContact CB-CD1 4.1Å; L471-L476 HydrophobicContact CB-CD2 4.34Å; L471-V492 HydrophobicContact CD1-CG2 3.98Å; L471-V492 HydrophobicContact CD2-CG2 4.46Å; L471-K495 HydrophobicContact CD2-CB 4.36Å; L471-K495 HydrophobicContact CD2-CG 3.91Å
472	K	86.7	Confident	91.2	Very high	129 Å²	129	61.3 Å²	61.3	56%	0.561	32%	0.32	S	S	*	.			trans	-75.8	-16	-176.6	-64.5	-174.9	179.1	-179.4	0	114.3	Q468 A469 E470 Y474	Q468-K472 VanDerWaalsContact O-CE 3.29Å; Q468-K472 WeakPolarHBondContact O-CE 3.47Å; A469-K472 VanDerWaalsContact O-CE 3.23Å; A469-K472 WeakPolarHBondContact O-CE 3.4Å; E470-K472 PolarHBondContact O-N 3.37Å; K472-Y474 PolarHBondContact O-N 3.06Å
473	D	84.9	Confident	90.9	Very high	81 Å²	81	64.7 Å²	64.7	43%	0.433	34%	0.338	S	S	.	.			trans	-64.3	127.3	179.7	-60.9	-44.3	0	0	0	109	R375 L471 Q475 L476 K495	R375-D473 PolarHBondContact NH2-O 3.27Å; L471-D473 VanDerWaalsContact C-N 3.29Å; L471-D473 PolarHBondContact O-N 3.22Å; D473-Q475 PolarHBondContact O-N 2.95Å; D473-L476 HydrophobicContact CB-CD2 4.25Å; D473-L476 WeakPolarHBondContact O-CG 3.39Å; D473-K495 WeakPolarHBondContact OD2-CE 3.24Å; D473-K495 IonicContact OD2-NZ 3.9Å; D473-K495 PolarHBondContact OD2-NZ 3.19Å
474	Y	82.7	Confident	90.8	Very high	137 Å²	137	64 Å²	64	54%	0.537	34%	0.339	S	S	.	.	S	Bend	trans	-75.7	-15.2	-175.2	-75.7	-84.1	0	0	0	113.6	D368 D372 K472	D368-Y474 WeakPolarHBondContact CB-O 3Å; D368-Y474 VanDerWaalsContact CG-O 3.24Å; D372-Y474 WeakPolarHBondContact OD1-CD1 3.23Å; D372-Y474 VanDerWaalsContact OD1-CE1 3.23Å; D372-Y474 WeakPolarHBondContact OD1-CE1 3.3Å; D372-Y474 VanDerWaalsContact OD2-CD1 3.29Å; D372-Y474 WeakPolarHBondContact OD2-CD1 3.19Å; K472-Y474 PolarHBondContact O-N 3.06Å
475	Q	89.8	Confident	90.7	Very high	128 Å²	128	65 Å²	65	60%	0.598	34%	0.344	S	S	*	.			trans	-117.1	79.5	180	-69.6	178.3	-40.4	0	0	109	D368 D473	D368-Q475 WeakPolarHBondContact OD2-CA 3.34Å; D473-Q475 PolarHBondContact O-N 2.95Å
476	L	92.8	Very high	90.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-86.6	-26.4	177.4	-68.3	175.9	0	0	0	112	D368 F371 L467 L471 D473 A487 F488 N491	D368-L476 PolarHBondContact OD1-N 3.47Å; D368-L476 PolarHBondContact OD2-N 3.2Å; F371-L476 HydrophobicContact CD1-CD1 3.84Å; F371-L476 HydrophobicContact CE1-CD1 4.18Å; L467-L476 HydrophobicContact CD2-CD1 4.45Å; L471-L476 HydrophobicContact CB-CD1 4.1Å; L471-L476 HydrophobicContact CB-CD2 4.34Å; D473-L476 HydrophobicContact CB-CD2 4.25Å; D473-L476 WeakPolarHBondContact O-CG 3.39Å; L476-A487 CarbonylContact O-C 3.54Å; L476-F488 HydrophobicContact CB-CD2 4.32Å; L476-F488 VanDerWaalsContact O-CA 3.23Å; L476-F488 WeakPolarHBondContact O-CA 3.34Å; L476-F488 PolarHBondContact O-N 3.33Å; L476-N491 HydrophobicContact CD2-CB 4.33Å; L476-N491 PolarHBondContact O-ND2 3.3Å
477	F	95.2	Very high	90.8	Very high	1 Å²	1	62 Å²	62	0%	0.004	32%	0.323	C	S	.	.	S	Bend	trans	-99.9	-13.1	-176.1	-67.2	-90.9	0	0	0	112.8	A364 R367 D368 F371 P484 A487 F488	A364-F477 HydrophobicContact CB-CB 3.94Å; R367-F477 HydrophobicContact CB-CB 4.36Å; R367-F477 HydrophobicContact CB-CD1 3.86Å; R367-F477 HydrophobicContact CB-CD2 3.6Å; R367-F477 HydrophobicContact CB-CE1 4.02Å; R367-F477 HydrophobicContact CB-CE2 3.79Å; R367-F477 HydrophobicContact CB-CG 3.66Å; R367-F477 HydrophobicContact CB-CZ 4.01Å; R367-F477 VanDerWaalsContact CD-CD1 3.45Å; R367-F477 HydrophobicContact CG-CD1 4.31Å; R367-F477 HydrophobicContact CG-CE1 4.37Å; D368-F477 WeakPolarHBondContact OD1-CD2 3.27Å; D368-F477 PolarHBondContact OD1-N 2.96Å; D368-F477 PolarHBondContact OD2-N 3.4Å; F371-F477 HydrophobicContact CD1-CE2 4.14Å; F371-F477 AromaticContact CD2-CE2 3.65Å; F371-F477 HydrophobicContact CD2-CE2 3.65Å; F371-F477 HydrophobicContact CD2-CZ 4.01Å; F371-F477 HydrophobicContact CE1-CE2 4.06Å; F371-F477 HydrophobicContact CE1-CZ 4.2Å; F371-F477 AromaticContact CE2-CE2 3.53Å; F371-F477 HydrophobicContact CE2-CE2 3.53Å; F371-F477 AromaticContact CE2-CZ 3.4Å; F371-F477 HydrophobicContact CE2-CZ 3.4Å; F371-F477 AromaticContact CG-CE2 3.96Å; F371-F477 HydrophobicContact CG-CE2 3.96Å; F371-F477 AromaticContact CZ-CE2 3.76Å; F371-F477 HydrophobicContact CZ-CE2 3.76Å; F371-F477 AromaticContact CZ-CZ 3.52Å; F371-F477 HydrophobicContact CZ-CZ 3.52Å; F477-P484 HydrophobicContact CB-CB 4.24Å; F477-P484 HydrophobicContact CD1-CB 4.33Å; F477-P484 WeakPolarHBondContact CD1-O 2.8Å; F477-P484 WeakPolarHBondContact O-CA 3.26Å; F477-A487 WeakPolarHBondContact O-CB 3.28Å; F477-F488 HydrophobicContact CD1-CB 3.64Å; F477-F488 HydrophobicContact CD1-CG 4.33Å; F477-F488 HydrophobicContact CE1-CB 3.45Å; F477-F488 VanDerWaalsContact CE1-CB 3.45Å; F477-F488 HydrophobicContact CE1-CD1 4.25Å; F477-F488 HydrophobicContact CE1-CD2 4.06Å; F477-F488 AromaticContact CE1-CG 3.66Å; F477-F488 HydrophobicContact CE1-CG 3.66Å; F477-F488 HydrophobicContact CE2-CD2 4.1Å; F477-F488 HydrophobicContact CG-CB 4.3Å; F477-F488 HydrophobicContact CZ-CB 3.98Å; F477-F488 HydrophobicContact CZ-CD1 4.42Å; F477-F488 AromaticContact CZ-CD2 3.67Å; F477-F488 HydrophobicContact CZ-CD2 3.67Å; F477-F488 HydrophobicContact CZ-CE2 4.28Å; F477-F488 AromaticContact CZ-CG 3.75Å; F477-F488 HydrophobicContact CZ-CG 3.75Å
478	T	91.6	Very high	91	Very high	58 Å²	58	62 Å²	62	36%	0.356	32%	0.323	S	S	.	.			trans	-80.2	132.7	179.1	-40.8	0	0	0	0	112.2
479	S	88.8	Confident	91.2	Very high	53 Å²	53	58.4 Å²	58.4	37%	0.371	31%	0.307	S	S	.	.			trans	-151.8	149.9	169.1	-175.9	0	0	0	0	110.7	S481 L482	S479-S481 VanDerWaalsContact C-N 3.33Å; S479-S481 PolarHBondContact OG-N 3.2Å; S479-L482 PolarHBondContact OG-N 3.21Å
480	E	85.6	Confident	91.5	Very high	209 Å²	209	59.7 Å²	59.7	98%	0.977	30%	0.302	S	S	*	.	S	Bend	trans	-74.6	-22.7	174.6	-65.3	-175.3	172	0	0	113.1
481	S	87.1	Confident	91.8	Very high	90 Å²	90	57.1 Å²	57.1	63%	0.629	29%	0.291	S	S	*	.	S	Bend	trans	-129.7	-11.4	-169.7	57.6	0	0	0	0	115.2	S479	S479-S481 VanDerWaalsContact C-N 3.33Å; S479-S481 PolarHBondContact OG-N 3.2Å
482	L	89.9	Confident	92	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.194	29%	0.291	C	S	.	.	S	Bend	trans	-113.9	148.3	-178.3	-57.1	-178.1	0	0	0	110.3	S479 M486 A487 H490	S479-L482 PolarHBondContact OG-N 3.21Å; L482-M486 HydrophobicContact CB-CB 3.95Å; L482-M486 HydrophobicContact CD1-CB 4.49Å; L482-M486 HydrophobicContact CD2-CE 3.86Å; L482-A487 HydrophobicContact CB-CB 4.31Å; L482-H490 HydrophobicContact CD1-CB 4.04Å
483	D	92.7	Very high	92.4	Very high	71 Å²	71	53.5 Å²	53.5	38%	0.38	27%	0.274	S	S	.	.			trans	-64.8	161.4	166.8	72.6	74.2	0	0	0	111.1	D485 M486 A487	D483-D485 VanDerWaalsContact C-N 3.32Å; D483-D485 PolarHBondContact O-N 3.17Å; D483-D485 PolarHBondContact OD1-N 2.95Å; D483-M486 PolarHBondContact O-N 2.85Å; D483-M486 VanDerWaalsContact O-N 3.16Å; D483-M486 PolarHBondContact OD1-N 3.2Å; D483-M486 WeakPolarHBondContact OD2-CG 3.43Å; D483-A487 WeakPolarHBondContact O-CB 3.47Å; D483-A487 PolarHBondContact O-N 2.96Å
484	P	94.7	Very high	92.7	Very high	42 Å²	42	53.3 Å²	53.3	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-56.2	-39	-173.6	-29.6	37.4	0	0	0	115.2	A364 F477 A487 F488	A364-P484 HydrophobicContact CB-CB 4.28Å; A364-P484 HydrophobicContact CB-CG 4.12Å; F477-P484 HydrophobicContact CB-CB 4.24Å; F477-P484 HydrophobicContact CD1-CB 4.33Å; F477-P484 WeakPolarHBondContact CD1-O 2.8Å; F477-P484 WeakPolarHBondContact O-CA 3.26Å; P484-A487 PolarHBondContact O-N 2.7Å; P484-F488 WeakPolarHBondContact O-CB 3.29Å; P484-F488 PolarHBondContact O-N 2.84Å
485	D	95.4	Very high	93.2	Very high	21 Å²	21	51.4 Å²	51.4	11%	0.112	27%	0.274	C	S	.	.	H	α-helix	trans	-73.9	-39.1	-179.5	-71.3	-22.3	0	0	0	110.9	R367 Y455 S457 D483 F488 C489	R367-D485 IonicContact CZ-OD1 3.3Å; R367-D485 IonicContact NE-OD1 3.54Å; Y455-D485 HydrophobicContact CE2-CB 4.03Å; Y455-D485 WeakPolarHBondContact OH-CB 3.34Å; S457-D485 WeakPolarHBondContact CB-OD2 3.47Å; D483-D485 VanDerWaalsContact C-N 3.32Å; D483-D485 PolarHBondContact O-N 3.17Å; D483-D485 PolarHBondContact OD1-N 2.95Å; D485-F488 PolarHBondContact O-N 3.21Å; D485-C489 WeakPolarHBondContact O-CB 3.48Å; D485-C489 PolarHBondContact O-N 2.93Å; D485-C489 PolarHBondContact O-SG 2.89Å
486	M	96.5	Very high	93.3	Very high	9 Å²	9	47.3 Å²	47.3	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-42.3	172.4	-79	-174.1	76.5	0	0	111.6	W424 G431 Y432 Y455 L482 D483 C489 H490	W424-M486 HydrophobicContact CH2-CE 4.1Å; W424-M486 HydrophobicContact CH2-CG 3.83Å; W424-M486 HydrophobicContact CH2-SD 3.74Å; W424-M486 HydrophobicContact CZ3-CE 4.12Å; W424-M486 HydrophobicContact CZ3-CG 4.28Å; W424-M486 HydrophobicContact CZ3-SD 4.33Å; G431-M486 VanDerWaalsContact O-CE 3.24Å; G431-M486 WeakPolarHBondContact O-CE 3.33Å; Y432-M486 HydrophobicContact CD1-CE 3.81Å; Y432-M486 HydrophobicContact CD1-SD 4.11Å; Y432-M486 HydrophobicContact CD2-CE 4.46Å; Y432-M486 HydrophobicContact CE1-CE 4.03Å; Y432-M486 HydrophobicContact CE1-SD 4.13Å; Y432-M486 HydrophobicContact CG-CE 4.05Å; Y455-M486 HydrophobicContact CD2-CG 4.32Å; Y455-M486 HydrophobicContact CE2-CB 4.49Å; Y455-M486 HydrophobicContact CE2-CG 3.81Å; L482-M486 HydrophobicContact CB-CB 3.95Å; L482-M486 HydrophobicContact CD1-CB 4.49Å; L482-M486 HydrophobicContact CD2-CE 3.86Å; D483-M486 PolarHBondContact O-N 2.85Å; D483-M486 VanDerWaalsContact O-N 3.16Å; D483-M486 PolarHBondContact OD1-N 3.2Å; D483-M486 WeakPolarHBondContact OD2-CG 3.43Å; M486-C489 PolarHBondContact O-N 2.82Å; M486-H490 VanDerWaalsContact O-CB 3.22Å; M486-H490 WeakPolarHBondContact O-CB 3.37Å; M486-H490 PolarHBondContact O-N 3.4Å
487	A	96.3	Very high	93.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-49.7	176.5	0	0	0	0	0	110.9	L476 F477 L482 D483 P484 C489 H490 N491	L476-A487 CarbonylContact O-C 3.54Å; F477-A487 WeakPolarHBondContact O-CB 3.28Å; L482-A487 HydrophobicContact CB-CB 4.31Å; D483-A487 WeakPolarHBondContact O-CB 3.47Å; D483-A487 PolarHBondContact O-N 2.96Å; P484-A487 PolarHBondContact O-N 2.7Å; A487-C489 PolarHBondContact O-N 2.86Å; A487-H490 PolarHBondContact O-N 2.91Å; A487-N491 WeakPolarHBondContact O-CB 3.49Å; A487-N491 VanDerWaalsContact O-CG 3.23Å; A487-N491 PolarHBondContact O-N 2.86Å; A487-N491 PolarHBondContact O-ND2 2.88Å
488	F	97.3	Very high	93.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.4	-53.1	175.3	168.7	-110.4	0	0	0	111.8	F371 I408 Y460 V462 L476 F477 P484 D485 H490 N491 V492	F371-F488 HydrophobicContact CE1-CD2 4.33Å; F371-F488 AromaticContact CE1-CE2 3.64Å; F371-F488 HydrophobicContact CE1-CE2 3.64Å; F371-F488 HydrophobicContact CE1-CZ 4.26Å; F371-F488 HydrophobicContact CZ-CD2 4.38Å; F371-F488 AromaticContact CZ-CE2 3.79Å; F371-F488 HydrophobicContact CZ-CE2 3.79Å; F371-F488 HydrophobicContact CZ-CZ 4.09Å; I408-F488 HydrophobicContact CD1-CZ 4.14Å; Y460-F488 HydrophobicContact CD2-CE1 4.5Å; Y460-F488 AromaticContact CE2-CE1 3.97Å; Y460-F488 HydrophobicContact CE2-CE1 3.97Å; Y460-F488 HydrophobicContact CE2-CZ 4.23Å; V462-F488 HydrophobicContact CG2-CZ 4.41Å; L476-F488 HydrophobicContact CB-CD2 4.32Å; L476-F488 VanDerWaalsContact O-CA 3.23Å; L476-F488 WeakPolarHBondContact O-CA 3.34Å; L476-F488 PolarHBondContact O-N 3.33Å; F477-F488 HydrophobicContact CD1-CB 3.64Å; F477-F488 HydrophobicContact CD1-CG 4.33Å; F477-F488 HydrophobicContact CE1-CB 3.45Å; F477-F488 VanDerWaalsContact CE1-CB 3.45Å; F477-F488 HydrophobicContact CE1-CD1 4.25Å; F477-F488 HydrophobicContact CE1-CD2 4.06Å; F477-F488 AromaticContact CE1-CG 3.66Å; F477-F488 HydrophobicContact CE1-CG 3.66Å; F477-F488 HydrophobicContact CE2-CD2 4.1Å; F477-F488 HydrophobicContact CG-CB 4.3Å; F477-F488 HydrophobicContact CZ-CB 3.98Å; F477-F488 HydrophobicContact CZ-CD1 4.42Å; F477-F488 AromaticContact CZ-CD2 3.67Å; F477-F488 HydrophobicContact CZ-CD2 3.67Å; F477-F488 HydrophobicContact CZ-CE2 4.28Å; F477-F488 AromaticContact CZ-CG 3.75Å; F477-F488 HydrophobicContact CZ-CG 3.75Å; P484-F488 WeakPolarHBondContact O-CB 3.29Å; P484-F488 PolarHBondContact O-N 2.84Å; D485-F488 PolarHBondContact O-N 3.21Å; F488-H490 VanDerWaalsContact C-N 3.3Å; F488-H490 PolarHBondContact O-N 3.08Å; F488-N491 PolarHBondContact O-N 2.93Å; F488-V492 HydrophobicContact CD2-CG2 3.95Å; F488-V492 HydrophobicContact CE1-CG2 4.33Å; F488-V492 HydrophobicContact CE2-CG2 3.51Å; F488-V492 HydrophobicContact CZ-CG2 3.74Å; F488-V492 VanDerWaalsContact O-CG2 3.29Å; F488-V492 WeakPolarHBondContact O-CG2 3.4Å; F488-V492 PolarHBondContact O-N 2.92Å
489	C	97.8	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.9	-40.2	-180	-70	0	0	0	0	111.7	Y455 I456 D485 M486 A487 R493 M499	Y455-C489 HydrophobicContact CD2-CB 3.98Å; I456-C489 PolarHBondContact N-SG 2.97Å; I456-C489 PolarHBondContact O-SG 2.92Å; D485-C489 WeakPolarHBondContact O-CB 3.48Å; D485-C489 PolarHBondContact O-N 2.93Å; D485-C489 PolarHBondContact O-SG 2.89Å; M486-C489 PolarHBondContact O-N 2.82Å; A487-C489 PolarHBondContact O-N 2.86Å; C489-R493 VanDerWaalsContact C-NH1 3.34Å; C489-R493 WeakPolarHBondContact O-CB 3.39Å; C489-R493 VanDerWaalsContact O-CG 3.24Å; C489-R493 WeakPolarHBondContact O-CG 3.48Å; C489-R493 PolarHBondContact O-N 2.74Å; C489-R493 PolarHBondContact O-NH1 3.34Å; C489-M499 HydrophobicContact CB-CE 3.92Å; C489-M499 HydrophobicContact CB-SD 4.18Å
490	H	95.5	Very high	94.4	Very high	90 Å²	90	44.8 Å²	44.8	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-48.5	175.7	-179.7	94.1	0	0	0	111.8	L482 M486 A487 F488 V492 R493 S494	L482-H490 HydrophobicContact CD1-CB 4.04Å; M486-H490 VanDerWaalsContact O-CB 3.22Å; M486-H490 WeakPolarHBondContact O-CB 3.37Å; M486-H490 PolarHBondContact O-N 3.4Å; A487-H490 PolarHBondContact O-N 2.91Å; F488-H490 VanDerWaalsContact C-N 3.3Å; F488-H490 PolarHBondContact O-N 3.08Å; H490-V492 VanDerWaalsContact C-N 3.32Å; H490-V492 PolarHBondContact O-N 2.82Å; H490-R493 PolarHBondContact O-N 2.88Å; H490-S494 PolarHBondContact O-N 3.45Å
491	N	94.8	Very high	95	Very high	42 Å²	42	34.8 Å²	34.8	23%	0.225	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-35.9	-179.7	-72.3	-27.1	0	0	0	112.3	L476 A487 F488 S494 K495	L476-N491 HydrophobicContact CD2-CB 4.33Å; L476-N491 PolarHBondContact O-ND2 3.3Å; A487-N491 WeakPolarHBondContact O-CB 3.49Å; A487-N491 VanDerWaalsContact O-CG 3.23Å; A487-N491 PolarHBondContact O-N 2.86Å; A487-N491 PolarHBondContact O-ND2 2.88Å; F488-N491 PolarHBondContact O-N 2.93Å; N491-S494 PolarHBondContact O-OG 3.31Å; N491-K495 WeakPolarHBondContact O-CG 3.37Å
492	V	95.9	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-46.6	172.7	170.7	0	0	0	0	111.1	I408 L471 F488 H490 S494 K495 V497 M499	I408-V492 HydrophobicContact CD1-CB 4.44Å; I408-V492 HydrophobicContact CD1-CG1 3.59Å; I408-V492 HydrophobicContact CD1-CG2 3.91Å; L471-V492 HydrophobicContact CD1-CG2 3.98Å; L471-V492 HydrophobicContact CD2-CG2 4.46Å; F488-V492 HydrophobicContact CD2-CG2 3.95Å; F488-V492 HydrophobicContact CE1-CG2 4.33Å; F488-V492 HydrophobicContact CE2-CG2 3.51Å; F488-V492 HydrophobicContact CZ-CG2 3.74Å; F488-V492 VanDerWaalsContact O-CG2 3.29Å; F488-V492 WeakPolarHBondContact O-CG2 3.4Å; F488-V492 PolarHBondContact O-N 2.92Å; H490-V492 VanDerWaalsContact C-N 3.32Å; H490-V492 PolarHBondContact O-N 2.82Å; V492-S494 VanDerWaalsContact C-N 3.34Å; V492-S494 PolarHBondContact O-N 2.9Å; V492-K495 PolarHBondContact O-N 3.26Å; V492-V497 HydrophobicContact CG1-CB 3.78Å; V492-V497 HydrophobicContact CG1-CG1 3.95Å; V492-V497 PolarHBondContact O-N 2.92Å; V492-M499 HydrophobicContact CB-CE 4.48Å; V492-M499 HydrophobicContact CB-SD 4.16Å; V492-M499 HydrophobicContact CG1-CE 4.27Å; V492-M499 HydrophobicContact CG1-CG 3.75Å; V492-M499 HydrophobicContact CG1-SD 3.88Å
493	R	94.8	Very high	95.9	Very high	54 Å²	54	29.2 Å²	29.2	20%	0.204	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-37.2	179.1	-71.6	-171.4	-50.2	-92.1	2.5	112.6	P454 C489 H490 K495 G496 M499	P454-R493 WeakPolarHBondContact O-CD 3.37Å; P454-R493 PolarHBondContact O-NH1 2.97Å; C489-R493 VanDerWaalsContact C-NH1 3.34Å; C489-R493 WeakPolarHBondContact O-CB 3.39Å; C489-R493 VanDerWaalsContact O-CG 3.24Å; C489-R493 WeakPolarHBondContact O-CG 3.48Å; C489-R493 PolarHBondContact O-N 2.74Å; C489-R493 PolarHBondContact O-NH1 3.34Å; H490-R493 PolarHBondContact O-N 2.88Å; R493-K495 PolarHBondContact O-N 3.02Å; R493-G496 PolarHBondContact O-N 3.42Å; R493-M499 HydrophobicContact CG-CE 3.73Å
494	S	91.8	Very high	96.1	Very high	77 Å²	77	28.4 Å²	28.4	54%	0.538	16%	0.155	S	C	.	.	H	α-helix	trans	-65.5	-21.7	179.9	74.1	0	0	0	0	112.8	H490 N491 V492	H490-S494 PolarHBondContact O-N 3.45Å; N491-S494 PolarHBondContact O-OG 3.31Å; V492-S494 VanDerWaalsContact C-N 3.34Å; V492-S494 PolarHBondContact O-N 2.9Å
495	K	92.3	Very high	96.2	Very high	97 Å²	97	30.7 Å²	30.7	42%	0.422	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.4	171	-53.3	-62.1	-175.3	177.6	0	113.8	L471 D473 N491 V492 R493 V497	L471-K495 HydrophobicContact CD2-CB 4.36Å; L471-K495 HydrophobicContact CD2-CG 3.91Å; D473-K495 WeakPolarHBondContact OD2-CE 3.24Å; D473-K495 IonicContact OD2-NZ 3.9Å; D473-K495 PolarHBondContact OD2-NZ 3.19Å; N491-K495 WeakPolarHBondContact O-CG 3.37Å; V492-K495 PolarHBondContact O-N 3.26Å; R493-K495 PolarHBondContact O-N 3.02Å; K495-V497 VanDerWaalsContact C-N 3.34Å; K495-V497 HydrophobicContact CB-CG2 4.19Å
496	G	92.6	Very high	96.3	Very high	41 Å²	41	35.8 Å²	35.8	42%	0.423	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	19.7	179.7	0	0	0	0	0	114.6	R493	R493-G496 PolarHBondContact O-N 3.42Å
497	V	96.3	Very high	96.3	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.036	19%	0.192	C	C	.	.			trans	-86.5	134.5	178.6	178.1	0	0	0	0	109.6	P407 I408 L466 E470 V492 K495	P407-V497 HydrophobicContact CB-CG1 4.15Å; P407-V497 HydrophobicContact CG-CG1 4.48Å; I408-V497 HydrophobicContact CD1-CG1 4.2Å; L466-V497 HydrophobicContact CD1-CG1 3.99Å; L466-V497 HydrophobicContact CD1-CG2 3.8Å; L466-V497 HydrophobicContact CD2-CG1 3.8Å; E470-V497 WeakPolarHBondContact OE2-CG2 3.26Å; V492-V497 HydrophobicContact CG1-CB 3.78Å; V492-V497 HydrophobicContact CG1-CG1 3.95Å; V492-V497 PolarHBondContact O-N 2.92Å; K495-V497 VanDerWaalsContact C-N 3.34Å; K495-V497 HydrophobicContact CB-CG2 4.19Å
498	F	97.8	Very high	96.3	Very high	15 Å²	15	36 Å²	36	7%	0.066	20%	0.198	C	C	.	.			trans	-83.7	141.8	179	-67.8	-5.9	0	0	0	111.8	D44 N256 N452 Y500	D44-F498 HydrophobicContact CB-CB 4.15Å; D44-F498 HydrophobicContact CB-CD1 4.07Å; D44-F498 HydrophobicContact CB-CD2 3.49Å; D44-F498 VanDerWaalsContact CB-CD2 3.49Å; D44-F498 HydrophobicContact CB-CE1 4.34Å; D44-F498 HydrophobicContact CB-CE2 3.8Å; D44-F498 HydrophobicContact CB-CG 3.63Å; D44-F498 HydrophobicContact CB-CZ 4.22Å; D44-F498 PolarHBondContact OD2-N 2.71Å; N256-F498 WeakPolarHBondContact OD1-CE1 3.41Å; N256-F498 WeakPolarHBondContact OD1-CZ 3.46Å; N452-F498 WeakPolarHBondContact ND2-CD1 3.41Å; N452-F498 WeakPolarHBondContact ND2-CD2 3.44Å; N452-F498 VanDerWaalsContact ND2-CE2 3.33Å; N452-F498 WeakPolarHBondContact ND2-CE2 3.31Å; N452-F498 WeakPolarHBondContact ND2-CG 3.47Å; F498-Y500 HydrophobicContact CB-CD2 4.33Å; F498-Y500 HydrophobicContact CB-CE2 3.54Å; F498-Y500 WeakPolarHBondContact CD2-OH 3.31Å
499	M	98.6	Very high	96.3	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.202	C	C	.	.			trans	-111.6	134.5	171.1	-68.2	176	-71	0	0	108.5	I408 N452 V453 P454 I456 C489 V492 R493	I408-M499 HydrophobicContact CB-CG 4.23Å; I408-M499 HydrophobicContact CD1-CG 4.08Å; I408-M499 HydrophobicContact CG2-CG 4.1Å; N452-M499 CarbonylContact C-O 3.6Å; N452-M499 WeakPolarHBondContact CA-O 3.48Å; N452-M499 PolarHBondContact OD1-O 2.88Å; V453-M499 PolarHBondContact N-O 3.22Å; P454-M499 WeakPolarHBondContact O-CE 3.42Å; I456-M499 HydrophobicContact CD1-CB 4.2Å; I456-M499 HydrophobicContact CD1-CG 4.27Å; I456-M499 HydrophobicContact CD1-SD 4.28Å; I456-M499 HydrophobicContact CG1-CB 4.46Å; I456-M499 HydrophobicContact CG1-SD 4Å; I456-M499 HydrophobicContact CG2-CB 4.48Å; C489-M499 HydrophobicContact CB-CE 3.92Å; C489-M499 HydrophobicContact CB-SD 4.18Å; V492-M499 HydrophobicContact CB-CE 4.48Å; V492-M499 HydrophobicContact CB-SD 4.16Å; V492-M499 HydrophobicContact CG1-CE 4.27Å; V492-M499 HydrophobicContact CG1-CG 3.75Å; V492-M499 HydrophobicContact CG1-SD 3.88Å; R493-M499 HydrophobicContact CG-CE 3.73Å
500	Y	98.6	Very high	96.3	Very high	36 Å²	36	37.4 Å²	37.4	14%	0.141	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.1	-176.1	-64.6	-95.1	0	0	0	111.7	L406 P407 I408 V409 A410 W451 N452 F498	L406-Y500 HydrophobicContact CB-CD2 4.24Å; L406-Y500 HydrophobicContact CD1-CD1 4.26Å; L406-Y500 HydrophobicContact CD1-CD2 3.95Å; L406-Y500 HydrophobicContact CD1-CG 3.74Å; L406-Y500 HydrophobicContact CD2-CD2 4.05Å; L406-Y500 HydrophobicContact CD2-CE1 4.44Å; L406-Y500 HydrophobicContact CD2-CE2 3.89Å; L406-Y500 HydrophobicContact CD2-CG 4.38Å; L406-Y500 HydrophobicContact CG-CD2 4.31Å; P407-Y500 HydrophobicContact CG-CE2 4.23Å; I408-Y500 WeakPolarHBondContact O-CD2 3.46Å; I408-Y500 PolarHBondContact O-N 3.39Å; V409-Y500 CarbonylContact C-O 3.34Å; V409-Y500 WeakPolarHBondContact CA-O 3.41Å; A410-Y500 PolarHBondContact N-O 2.8Å; W451-Y500 CarbonylContact O-C 3.54Å; W451-Y500 WeakPolarHBondContact O-CA 3.12Å; N452-Y500 HydrophobicContact CB-CD1 4.27Å; N452-Y500 HydrophobicContact CB-CE1 4.05Å; F498-Y500 HydrophobicContact CB-CD2 4.33Å; F498-Y500 HydrophobicContact CB-CE2 3.54Å; F498-Y500 WeakPolarHBondContact CD2-OH 3.31Å
501	V	98.5	Very high	96.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.3	162.6	66.8	0	0	0	0	110.1	A410 M412 F423 L450 W451 V453	A410-V501 CarbonylContact O-C 3.45Å; A410-V501 WeakPolarHBondContact O-CA 3.42Å; M412-V501 HydrophobicContact CB-CG2 3.72Å; M412-V501 HydrophobicContact CG-CG2 4.14Å; F423-V501 HydrophobicContact CB-CB 4.33Å; F423-V501 HydrophobicContact CB-CG2 4.34Å; F423-V501 HydrophobicContact CD1-CG1 4.31Å; F423-V501 HydrophobicContact CD1-CG2 4.02Å; F423-V501 HydrophobicContact CD2-CG1 3.94Å; F423-V501 HydrophobicContact CE2-CG1 4.2Å; F423-V501 HydrophobicContact CG-CB 4.26Å; F423-V501 HydrophobicContact CG-CG1 4Å; F423-V501 HydrophobicContact CG-CG2 4.2Å; L450-V501 WeakPolarHBondContact CA-O 3.45Å; W451-V501 HydrophobicContact CB-CG1 3.79Å; W451-V501 HydrophobicContact CG-CG1 4.29Å; W451-V501 PolarHBondContact N-O 2.9Å; W451-V501 PolarHBondContact O-N 2.91Å; V453-V501 HydrophobicContact CG1-CG1 3.79Å; V453-V501 HydrophobicContact CG2-CB 4.18Å; V453-V501 HydrophobicContact CG2-CG1 4.05Å
502	N	98.3	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118	-179	-177.7	-13.4	0	0	0	109.9	V409 A410 M412 L450 L504 F507	V409-N502 HydrophobicContact CG2-CB 4.04Å; A410-N502 PolarHBondContact O-N 2.93Å; M412-N502 WeakPolarHBondContact CB-O 3.47Å; M412-N502 PolarHBondContact N-O 3.22Å; L450-N502 HydrophobicContact CD2-CB 3.57Å; N502-L504 WeakPolarHBondContact OD1-CB 3.44Å; N502-L504 WeakPolarHBondContact OD1-CG 3.04Å; N502-L504 PolarHBondContact OD1-N 3.26Å; N502-F507 HydrophobicContact CB-CE2 4.32Å; N502-F507 WeakPolarHBondContact O-CE2 3.45Å
503	N	98.1	Very high	96.3	Very high	10 Å²	10	33 Å²	33	5%	0.053	18%	0.184	C	C	.	.			trans	-118.9	20.7	172.5	72.7	-20.6	0	0	0	113.2	M412 I442 R447 V448 G449 W451 H505	M412-N503 HydrophobicContact CB-CB 3.8Å; M412-N503 HydrophobicContact CE-CB 3.64Å; M412-N503 HydrophobicContact CG-CB 4.33Å; M412-N503 HydrophobicContact SD-CB 3.61Å; I442-N503 PolarHBondContact O-ND2 2.75Å; R447-N503 PolarHBondContact O-ND2 2.95Å; V448-N503 WeakPolarHBondContact CA-OD1 3.22Å; V448-N503 VanDerWaalsContact CG1-O 3.29Å; V448-N503 WeakPolarHBondContact CG1-O 3.36Å; G449-N503 PolarHBondContact N-OD1 3.36Å; G449-N503 PolarHBondContact O-N 3.48Å; G449-N503 VanDerWaalsContact O-N 3.17Å; G449-N503 PolarHBondContact O-OD1 3.01Å; W451-N503 PolarHBondContact NE1-OD1 3.3Å; N503-H505 PolarHBondContact O-N 3.09Å
504	L	96.9	Very high	96	Very high	53 Å²	53	36.4 Å²	36.4	28%	0.277	20%	0.203	S	C	.	.	S	Bend	trans	-61	-23.1	174.7	-66.9	167.6	0	0	0	113.3	C275 V448 L450 N502	C275-L504 HydrophobicContact CB-CD1 3.89Å; C275-L504 HydrophobicContact CB-CD2 4.18Å; V448-L504 HydrophobicContact CG1-CD2 4.02Å; L450-L504 HydrophobicContact CD2-CD1 4.45Å; L450-L504 HydrophobicContact CG-CD1 4.32Å; N502-L504 WeakPolarHBondContact OD1-CB 3.44Å; N502-L504 WeakPolarHBondContact OD1-CG 3.04Å; N502-L504 PolarHBondContact OD1-N 3.26Å
505	H	96.7	Very high	95.8	Very high	91 Å²	91	39 Å²	39	42%	0.421	20%	0.204	S	C	.	.	S	Bend	trans	-134.3	156.6	179.2	-57.3	-82.6	0	0	0	110.1	N503 F507	N503-H505 PolarHBondContact O-N 3.09Å; H505-F507 HydrophobicContact CB-CD2 4.47Å; H505-F507 HydrophobicContact CB-CE1 4.23Å; H505-F507 HydrophobicContact CB-CE2 4.01Å; H505-F507 HydrophobicContact CB-CZ 3.89Å; H505-F507 WeakPolarHBondContact O-CD2 3.49Å; H505-F507 WeakPolarHBondContact O-CE2 3.4Å; H505-F507 PolarHBondContact O-N 2.79Å
506	T	96.3	Very high	95.9	Very high	128 Å²	128	35.8 Å²	35.8	79%	0.785	19%	0.19	S	C	*	.			trans	-75.1	115.2	161.9	-49.9	0	0	0	0	108.2	N394	N394-T506 WeakPolarHBondContact CB-O 3.31Å; N394-T506 PolarHBondContact ND2-O 3.26Å
507	F	97.8	Very high	95.9	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	20%	0.195	C	C	.	.			trans	-96.6	-38	-178.7	-68.2	-78.4	0	0	0	112.7	K393 N394 T397 I400 P411 N502 H505	K393-F507 PolarHBondContact N-O 2.95Å; N394-F507 PolarHBondContact N-O 3.16Å; T397-F507 HydrophobicContact CG2-CD1 3.87Å; T397-F507 HydrophobicContact CG2-CE1 4.37Å; I400-F507 HydrophobicContact CB-CE1 4.17Å; I400-F507 HydrophobicContact CD1-CE1 4.01Å; I400-F507 HydrophobicContact CG2-CE1 3.84Å; I400-F507 HydrophobicContact CG2-CZ 3.85Å; P411-F507 HydrophobicContact CB-CB 3.73Å; P411-F507 HydrophobicContact CB-CD1 3.71Å; P411-F507 HydrophobicContact CB-CD2 3.52Å; P411-F507 HydrophobicContact CB-CE1 4.15Å; P411-F507 HydrophobicContact CB-CE2 3.99Å; P411-F507 HydrophobicContact CB-CG 3.36Å; P411-F507 HydrophobicContact CB-CZ 4.27Å; N502-F507 HydrophobicContact CB-CE2 4.32Å; N502-F507 WeakPolarHBondContact O-CE2 3.45Å; H505-F507 HydrophobicContact CB-CD2 4.47Å; H505-F507 HydrophobicContact CB-CE1 4.23Å; H505-F507 HydrophobicContact CB-CE2 4.01Å; H505-F507 HydrophobicContact CB-CZ 3.89Å; H505-F507 WeakPolarHBondContact O-CD2 3.49Å; H505-F507 WeakPolarHBondContact O-CE2 3.4Å; H505-F507 PolarHBondContact O-N 2.79Å
508	G	96.6	Very high	95.8	Very high	13 Å²	13	42.4 Å²	42.4	13%	0.134	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-159.7	-169.7	0	0	0	0	0	113.4	V391	V391-G508 CarbonylContact O-C 3.58Å; V391-G508 WeakPolarHBondContact O-CA 3.46Å
509	R	97.1	Very high	95.6	Very high	22 Å²	22	48.8 Å²	48.8	8%	0.083	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	168.9	178	59.6	-174.1	178	-99.8	-7.6	109.7	V391 I413 T414 V416 D534 E537	V391-R509 WeakPolarHBondContact CA-O 3.27Å; V391-R509 HydrophobicContact CB-CG 3.71Å; V391-R509 WeakPolarHBondContact CB-O 3.36Å; V391-R509 HydrophobicContact CG1-CG 4.08Å; V391-R509 HydrophobicContact CG2-CG 4.13Å; V391-R509 PolarHBondContact N-O 3.24Å; V391-R509 PolarHBondContact O-N 3.02Å; I413-R509 VanDerWaalsContact CG2-CA 3.41Å; I413-R509 VanDerWaalsContact CG2-O 3.27Å; I413-R509 WeakPolarHBondContact CG2-O 3.42Å; T414-R509 VanDerWaalsContact O-CA 3.27Å; T414-R509 WeakPolarHBondContact O-CA 3.28Å; T414-R509 WeakPolarHBondContact O-CB 3.49Å; V416-R509 HydrophobicContact CG2-CB 4.05Å; V416-R509 HydrophobicContact CG2-CG 4.34Å; R509-D534 IonicContact CZ-OD1 3.1Å; R509-D534 IonicContact CZ-OD2 3.78Å; R509-D534 VanDerWaalsContact NE-CG 3.33Å; R509-D534 IonicContact NE-OD1 2.87Å; R509-D534 PolarHBondContact NE-OD1 2.83Å; R509-D534 VanDerWaalsContact NE-OD1 3.14Å; R509-D534 IonicContact NE-OD2 2.88Å; R509-D534 PolarHBondContact NE-OD2 3.47Å; R509-D534 IonicContact NH2-OD1 2.89Å; R509-D534 PolarHBondContact NH2-OD1 3.39Å; R509-D534 IonicContact NH2-OD2 2.79Å; R509-E537 IonicContact CZ-OE1 3.81Å; R509-E537 IonicContact CZ-OE2 2.7Å; R509-E537 IonicContact NH1-OE1 2.6Å; R509-E537 PolarHBondContact NH1-OE1 2.88Å; R509-E537 IonicContact NH1-OE2 3.67Å; R509-E537 IonicContact NH2-OE1 2.83Å; R509-E537 PolarHBondContact NH2-OE1 3.34Å; R509-E537 IonicContact NH2-OE2 3.98Å; R509-E537 PolarHBondContact NH2-OE2 3.16Å
510	I	96.3	Very high	95.4	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.7	173.5	-163.8	170.4	0	0	0	110.1	E389 I413 T414 R415 W420	E389-I510 HydrophobicContact CB-CG1 4.21Å; E389-I510 HydrophobicContact CG-CD1 3.7Å; E389-I510 HydrophobicContact CG-CG1 3.6Å; I413-I510 HydrophobicContact CG2-CB 3.9Å; I413-I510 VanDerWaalsContact CG2-N 3.35Å; T414-I510 PolarHBondContact O-N 3.37Å; R415-I510 HydrophobicContact CB-CG2 3.85Å; W420-I510 HydrophobicContact CE3-CG2 3.57Å; W420-I510 HydrophobicContact CH2-CD1 3.42Å; W420-I510 VanDerWaalsContact CH2-CD1 3.42Å; W420-I510 HydrophobicContact CH2-CG2 4.29Å; W420-I510 HydrophobicContact CZ3-CB 4.13Å; W420-I510 HydrophobicContact CZ3-CD1 3.44Å; W420-I510 VanDerWaalsContact CZ3-CD1 3.44Å; W420-I510 HydrophobicContact CZ3-CG1 4.29Å; W420-I510 HydrophobicContact CZ3-CG2 3.26Å
511	L	97.1	Very high	95.2	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.042	26%	0.263	C	S	.	.			trans	-74.6	156	177.3	-61.2	175.4	0	0	0	111.8	T303 P304 F305 E389 V391 N531 D534	T303-L511 HydrophobicContact CG2-CD1 4.23Å; P304-L511 HydrophobicContact CB-CD1 4.38Å; P304-L511 VanDerWaalsContact O-CD1 3.31Å; P304-L511 WeakPolarHBondContact O-CD1 3.32Å; F305-L511 HydrophobicContact CD2-CD1 4.11Å; F305-L511 HydrophobicContact CD2-CD2 4.12Å; E389-L511 HydrophobicContact CB-CB 4.18Å; E389-L511 WeakPolarHBondContact O-CG 3.43Å; E389-L511 PolarHBondContact O-N 3.34Å; V391-L511 HydrophobicContact CG2-CD1 4.23Å; V391-L511 HydrophobicContact CG2-CD2 3.63Å; V391-L511 HydrophobicContact CG2-CG 3.63Å; L511-N531 WeakPolarHBondContact CA-OD1 3.33Å; L511-N531 HydrophobicContact CD2-CB 4.3Å; L511-D534 HydrophobicContact CD2-CB 3.96Å; L511-D534 WeakPolarHBondContact CD2-OD2 3.47Å
512	S	95.3	Very high	95.2	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	27%	0.269	C	S	.	.			trans	-84.4	124.1	162.6	-178.6	0	0	0	0	109.5	R415 E530 N531	R415-S512 VanDerWaalsContact NH2-CB 3.31Å; R415-S512 PolarHBondContact NH2-OG 3.07Å; S512-E530 PolarHBondContact OG-OE2 3.49Å; S512-N531 PolarHBondContact N-OD1 3.46Å; S512-N531 PolarHBondContact O-ND2 2.83Å
513	T	94.8	Very high	95.1	Very high	29 Å²	29	54.2 Å²	54.2	18%	0.178	27%	0.271	C	S	.	.			trans	-106.4	-8.4	172.6	55.9	0	0	0	0	113.2	Q301 T303 E389 K515 Y516	Q301-T513 HydrophobicContact CG-CG2 4.47Å; Q301-T513 PolarHBondContact NE2-OG1 3.42Å; T303-T513 HydrophobicContact CG2-CG2 4.09Å; E389-T513 HydrophobicContact CB-CG2 4.16Å; T513-K515 PolarHBondContact O-N 3.35Å; T513-Y516 PolarHBondContact O-N 3.23Å
514	E	88.1	Confident	95.1	Very high	126 Å²	126	54.8 Å²	54.8	59%	0.589	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.1	-168.7	-71	170.2	-161.7	0	0	115.3	R415	R415-E514 IonicContact CZ-OE1 3.72Å; R415-E514 IonicContact NH1-OE1 3.65Å; R415-E514 PolarHBondContact NH1-OE1 2.76Å; R415-E514 IonicContact NH2-OE1 3.98Å; R415-E514 IonicContact NH2-OE2 3.69Å
515	K	88	Confident	95.1	Very high	132 Å²	132	52.5 Å²	52.5	57%	0.574	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	24.8	-176.5	-54.3	-170	-157.3	133.7	0	113	T513 K517 E530	T513-K515 PolarHBondContact O-N 3.35Å; K515-K517 PolarHBondContact O-N 3.01Å; K515-E530 HydrophobicContact CB-CG 4.39Å; K515-E530 WeakPolarHBondContact CD-OE1 3.26Å; K515-E530 IonicContact NZ-OE1 3.7Å; K515-E530 PolarHBondContact NZ-OE1 3.42Å
516	Y	95.1	Very high	95.2	Very high	29 Å²	29	49.6 Å²	49.6	11%	0.114	25%	0.247	C	C	.	.			trans	-70.2	129.8	175.6	-175.2	-115.4	0	0	0	109.7	P302 P304 T513 T518 N523 Q527	P302-Y516 VanDerWaalsContact C-CD1 3.44Å; P302-Y516 HydrophobicContact CB-CD1 3.57Å; P302-Y516 HydrophobicContact CB-CE1 4.05Å; P302-Y516 WeakPolarHBondContact O-CD1 3.28Å; P304-Y516 HydrophobicContact CB-CD2 4.11Å; P304-Y516 HydrophobicContact CB-CE2 4.07Å; P304-Y516 HydrophobicContact CG-CD2 3.52Å; P304-Y516 HydrophobicContact CG-CE2 4Å; P304-Y516 HydrophobicContact CG-CG 3.91Å; T513-Y516 PolarHBondContact O-N 3.23Å; Y516-T518 HydrophobicContact CD1-CG2 4.21Å; Y516-T518 HydrophobicContact CE1-CG2 3.83Å; Y516-N523 HydrophobicContact CE2-CB 3.74Å; Y516-N523 VanDerWaalsContact OH-CB 3.28Å; Y516-N523 WeakPolarHBondContact OH-CB 3.43Å; Y516-Q527 HydrophobicContact CD2-CG 4.2Å; Y516-Q527 HydrophobicContact CE2-CG 4.29Å
517	K	92.5	Very high	95.2	Very high	122 Å²	122	43.8 Å²	43.8	53%	0.53	21%	0.211	S	C	.	.			trans	-111.7	151.5	178.2	-64.6	-172.4	176.1	-167.9	0	109.4	K515 N523	K515-K517 PolarHBondContact O-N 3.01Å; K517-N523 VanDerWaalsContact O-CB 3.28Å; K517-N523 WeakPolarHBondContact O-CB 3.42Å; K517-N523 PolarHBondContact O-OD1 3.47Å
518	T	94.3	Very high	95.2	Very high	64 Å²	64	43.8 Å²	43.8	39%	0.393	21%	0.211	S	C	.	.			trans	-119.7	25.7	-177.7	54.1	0	0	0	0	112.4	P302 H333 Y516 N523	P302-T518 HydrophobicContact CB-CG2 3.91Å; P302-T518 HydrophobicContact CG-CG2 4.45Å; H333-T518 HydrophobicContact CB-CG2 4.34Å; Y516-T518 HydrophobicContact CD1-CG2 4.21Å; Y516-T518 HydrophobicContact CE1-CG2 3.83Å; T518-N523 VanDerWaalsContact CA-OD1 3.23Å; T518-N523 WeakPolarHBondContact CA-OD1 3.39Å
519	E	93.4	Very high	95.2	Very high	149 Å²	149	47.6 Å²	47.6	70%	0.696	22%	0.224	S	C	*	.			trans	-89.9	-11.2	-173.2	-64.6	170.4	-157.2	0	0	113.7	N523	E519-N523 PolarHBondContact N-OD1 3.18Å; E519-N523 VanDerWaalsContact N-OD1 3.13Å
520	H	94	Very high	95.1	Very high	36 Å²	36	48.6 Å²	48.6	17%	0.167	23%	0.23	C	C	.	.	S	Bend	trans	-107.1	161.3	-176.4	-60.1	-73.2	0	0	0	111.4	N523 W526 E577	H520-N523 WeakPolarHBondContact CA-OD1 3.37Å; H520-N523 WeakPolarHBondContact CB-OD1 3.34Å; H520-N523 PolarHBondContact N-OD1 2.75Å; H520-N523 PolarHBondContact O-ND2 3.1Å; H520-N523 PolarHBondContact O-OD1 3.19Å; H520-W526 HydrophobicContact CB-CE3 4.03Å; H520-W526 HydrophobicContact CB-CH2 4.25Å; H520-W526 HydrophobicContact CB-CZ3 3.69Å; H520-W526 AromaticContact CD2-CD2 3.67Å; H520-W526 AromaticContact CD2-CE2 3.93Å; H520-W526 AromaticContact CD2-CE3 3.65Å; H520-W526 AromaticContact CD2-CZ3 3.95Å; H520-W526 AromaticContact CE1-CE2 3.55Å; H520-W526 AromaticContact CE1-CH2 3.71Å; H520-W526 AromaticContact CE1-CZ2 3.37Å; H520-W526 WeakPolarHBondContact CE1-CZ2 3.44Å; H520-W526 AromaticContact CG-CE3 3.67Å; H520-W526 AromaticContact CG-CH2 3.71Å; H520-W526 AromaticContact CG-CZ3 3.48Å; H520-W526 VanDerWaalsContact CG-CZ3 3.48Å; H520-W526 AromaticContact ND1-CE2 4Å; H520-W526 AromaticContact ND1-CH2 3.35Å; H520-W526 WeakPolarHBondContact ND1-CH2 3.36Å; H520-W526 AromaticContact ND1-CZ2 3.55Å; H520-W526 AromaticContact ND1-CZ3 3.66Å; H520-W526 AromaticContact NE2-CD2 3.71Å; H520-W526 AromaticContact NE2-CE2 3.52Å; H520-W526 AromaticContact NE2-CZ2 3.84Å; H520-W526 AromaticContact NE2-NE1 3.82Å; H520-E577 WeakPolarHBondContact CB-OE1 3.44Å; H520-E577 IonicContact CG-OE1 3.98Å; H520-E577 IonicContact ND1-OE1 2.91Å
521	L	95.3	Very high	95.1	Very high	83 Å²	83	48.6 Å²	48.6	44%	0.435	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-43.6	172.9	-179.3	65.4	0	0	0	110	E576 E577 H580	L521-E576 HydrophobicContact CD2-CB 4.09Å; L521-E577 WeakPolarHBondContact CB-OE2 3.39Å; L521-E577 PolarHBondContact N-OE1 2.83Å; L521-E577 VanDerWaalsContact N-OE1 3.14Å; L521-E577 PolarHBondContact N-OE2 2.77Å; L521-H580 HydrophobicContact CD2-CB 3.95Å
522	H	96.7	Very high	95.1	Very high	25 Å²	25	50.3 Å²	50.3	12%	0.116	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	74.1	176.3	-54.9	-75	0	0	0	111.9	D524 L525 H573 E576 E577	H522-D524 PolarHBondContact O-N 3.49Å; H522-L525 HydrophobicContact CB-CD1 3.98Å; H522-L525 HydrophobicContact CB-CG 4.16Å; H522-L525 WeakPolarHBondContact O-CB 3.45Å; H522-L525 PolarHBondContact O-N 3.47Å; H522-H573 HydrophobicContact CB-CB 4.07Å; H522-H573 PolarHBondContact CD2-O 3.06Å; H522-H573 VanDerWaalsContact CD2-O 3.26Å; H522-H573 AromaticContact CE1-CD2 3.97Å; H522-H573 AromaticContact CE1-CG 3.93Å; H522-H573 AromaticContact CG-CG 3.64Å; H522-H573 AromaticContact CG-ND1 3.5Å; H522-H573 AromaticContact ND1-CD2 3.84Å; H522-H573 AromaticContact ND1-CE1 3.54Å; H522-H573 AromaticContact ND1-CG 3.51Å; H522-H573 AromaticContact ND1-ND1 3.31Å; H522-H573 PolarHBondContact ND1-ND1 2.92Å; H522-H573 AromaticContact ND1-NE2 3.9Å; H522-E576 IonicContact CE1-OE2 3.18Å; H522-E576 PolarHBondContact CE1-OE2 2.91Å; H522-E576 VanDerWaalsContact NE2-CB 3.25Å; H522-E576 WeakPolarHBondContact NE2-CB 3.23Å; H522-E576 IonicContact NE2-OE2 3.74Å; H522-E576 PolarHBondContact NE2-OE2 3.34Å; H522-E577 IonicContact CD2-OE2 3.26Å; H522-E577 IonicContact CG-OE2 3.64Å; H522-E577 PolarHBondContact N-OE2 3.15Å
523	N	96.6	Very high	95.1	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-52.6	-31	-178.1	-63.4	-67.3	0	0	0	115.3	H333 Y516 K517 T518 E519 H520 L525 W526	H333-N523 PolarHBondContact CE1-ND2 3.2Å; H333-N523 PolarHBondContact NE2-ND2 3.15Å; Y516-N523 HydrophobicContact CE2-CB 3.74Å; Y516-N523 VanDerWaalsContact OH-CB 3.28Å; Y516-N523 WeakPolarHBondContact OH-CB 3.43Å; K517-N523 VanDerWaalsContact O-CB 3.28Å; K517-N523 WeakPolarHBondContact O-CB 3.42Å; K517-N523 PolarHBondContact O-OD1 3.47Å; T518-N523 VanDerWaalsContact CA-OD1 3.23Å; T518-N523 WeakPolarHBondContact CA-OD1 3.39Å; E519-N523 PolarHBondContact N-OD1 3.18Å; E519-N523 VanDerWaalsContact N-OD1 3.13Å; H520-N523 WeakPolarHBondContact CA-OD1 3.37Å; H520-N523 WeakPolarHBondContact CB-OD1 3.34Å; H520-N523 PolarHBondContact N-OD1 2.75Å; H520-N523 PolarHBondContact O-ND2 3.1Å; H520-N523 PolarHBondContact O-OD1 3.19Å; N523-L525 PolarHBondContact O-N 2.91Å; N523-W526 PolarHBondContact O-N 3.23Å; N523-W526 VanDerWaalsContact O-N 3.13Å
524	D	97.7	Very high	95.2	Very high	22 Å²	22	52.5 Å²	52.5	12%	0.118	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24	178.1	-76.6	-15.3	0	0	0	113.1	P304 F305 H522 W526 Q527 W535 Y539	P304-D524 WeakPolarHBondContact CA-OD1 3.41Å; F305-D524 VanDerWaalsContact CA-OD2 3.23Å; F305-D524 WeakPolarHBondContact CA-OD2 3.46Å; F305-D524 HydrophobicContact CD1-CB 3.87Å; F305-D524 VanDerWaalsContact CD1-CG 3.47Å; F305-D524 WeakPolarHBondContact CD1-OD2 3.4Å; F305-D524 HydrophobicContact CE1-CB 3.73Å; F305-D524 VanDerWaalsContact N-CG 3.31Å; F305-D524 PolarHBondContact N-OD1 3.09Å; F305-D524 PolarHBondContact N-OD2 3Å; F305-D524 VanDerWaalsContact N-OD2 3.13Å; H522-D524 PolarHBondContact O-N 3.49Å; D524-W526 PolarHBondContact O-N 2.84Å; D524-Q527 VanDerWaalsContact O-CB 3.31Å; D524-Q527 WeakPolarHBondContact O-CB 3.4Å; D524-Q527 PolarHBondContact O-N 2.75Å; D524-Q527 VanDerWaalsContact O-N 3.1Å; D524-W535 VanDerWaalsContact O-CD1 3.3Å; D524-Y539 HydrophobicContact CB-CE2 4.22Å; D524-Y539 WeakPolarHBondContact CB-OH 3.48Å; D524-Y539 WeakPolarHBondContact O-CE2 3.47Å
525	L	98	Very high	95.7	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.3	-34.3	174.5	-74.4	174	0	0	0	111.5	H522 N523 Q527 W535 Y539 H573 E577 Y613	H522-L525 HydrophobicContact CB-CD1 3.98Å; H522-L525 HydrophobicContact CB-CG 4.16Å; H522-L525 WeakPolarHBondContact O-CB 3.45Å; H522-L525 PolarHBondContact O-N 3.47Å; N523-L525 PolarHBondContact O-N 2.91Å; L525-Q527 PolarHBondContact O-N 3.49Å; L525-W535 PolarHBondContact O-NE1 2.57Å; L525-Y539 HydrophobicContact CD2-CD1 4.16Å; L525-Y539 HydrophobicContact CD2-CE1 3.74Å; L525-Y539 HydrophobicContact CD2-CE2 4.22Å; L525-Y539 HydrophobicContact CG-CE1 4.49Å; L525-Y539 PolarHBondContact N-OH 3.45Å; L525-H573 HydrophobicContact CD1-CB 4.11Å; L525-H573 HydrophobicContact CD2-CB 4.29Å; L525-H573 HydrophobicContact CG-CB 4.32Å; L525-E577 HydrophobicContact CD1-CB 4.5Å; L525-Y613 HydrophobicContact CB-CE2 3.96Å; L525-Y613 WeakPolarHBondContact O-CE2 3.3Å; L525-Y613 PolarHBondContact O-OH 3.01Å; L525-Y613 VanDerWaalsContact O-OH 3.1Å
526	W	97.8	Very high	96.2	Very high	31 Å²	31	42.9 Å²	42.9	12%	0.117	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-80.2	3.5	-179.7	-79.3	-100.4	0	0	0	114.5	H520 N523 D524 I528 E577 V611 N612 Y613 E616	H520-W526 HydrophobicContact CB-CE3 4.03Å; H520-W526 HydrophobicContact CB-CH2 4.25Å; H520-W526 HydrophobicContact CB-CZ3 3.69Å; H520-W526 AromaticContact CD2-CD2 3.67Å; H520-W526 AromaticContact CD2-CE2 3.93Å; H520-W526 AromaticContact CD2-CE3 3.65Å; H520-W526 AromaticContact CD2-CZ3 3.95Å; H520-W526 AromaticContact CE1-CE2 3.55Å; H520-W526 AromaticContact CE1-CH2 3.71Å; H520-W526 AromaticContact CE1-CZ2 3.37Å; H520-W526 WeakPolarHBondContact CE1-CZ2 3.44Å; H520-W526 AromaticContact CG-CE3 3.67Å; H520-W526 AromaticContact CG-CH2 3.71Å; H520-W526 AromaticContact CG-CZ3 3.48Å; H520-W526 VanDerWaalsContact CG-CZ3 3.48Å; H520-W526 AromaticContact ND1-CE2 4Å; H520-W526 AromaticContact ND1-CH2 3.35Å; H520-W526 WeakPolarHBondContact ND1-CH2 3.36Å; H520-W526 AromaticContact ND1-CZ2 3.55Å; H520-W526 AromaticContact ND1-CZ3 3.66Å; H520-W526 AromaticContact NE2-CD2 3.71Å; H520-W526 AromaticContact NE2-CE2 3.52Å; H520-W526 AromaticContact NE2-CZ2 3.84Å; H520-W526 AromaticContact NE2-NE1 3.82Å; N523-W526 PolarHBondContact O-N 3.23Å; N523-W526 VanDerWaalsContact O-N 3.13Å; D524-W526 PolarHBondContact O-N 2.84Å; W526-I528 PolarHBondContact O-N 3.34Å; W526-E577 HydrophobicContact CH2-CG 3.86Å; W526-E577 HydrophobicContact CZ3-CG 4.2Å; W526-V611 WeakPolarHBondContact CZ2-O 3.42Å; W526-N612 PolarHBondContact NE1-O 2.89Å; W526-Y613 AromaticContact CD2-CD2 3.79Å; W526-Y613 HydrophobicContact CD2-CD2 3.79Å; W526-Y613 HydrophobicContact CD2-CE2 4.04Å; W526-Y613 AromaticContact CE2-CD2 3.38Å; W526-Y613 HydrophobicContact CE3-CD2 4.35Å; W526-Y613 HydrophobicContact CE3-CE2 4.36Å; W526-Y613 HydrophobicContact CG-CD2 4.18Å; W526-Y613 HydrophobicContact CG-CE2 4.31Å; W526-Y613 HydrophobicContact CH2-CD2 4.19Å; W526-Y613 AromaticContact CZ2-CD2 3.6Å; W526-Y613 HydrophobicContact CZ2-CD2 3.6Å; W526-Y613 HydrophobicContact CZ2-CE2 4.46Å; W526-Y613 HydrophobicContact CZ2-CG 4.02Å; W526-Y613 AromaticContact NE1-CD2 3.58Å; W526-E616 HydrophobicContact CB-CG 4.47Å; W526-E616 VanDerWaalsContact CD1-CD 3.47Å; W526-E616 HydrophobicContact CG-CG 4.28Å
527	Q	97.6	Very high	96.2	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.028	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-88.4	4	-172.5	-66.6	-63.4	-60.4	0	0	115.3	P304 F305 Y516 D524 L525 F529 E530 N531	P304-Q527 HydrophobicContact CB-CG 4.04Å; P304-Q527 HydrophobicContact CG-CG 4.2Å; P304-Q527 VanDerWaalsContact CG-OE1 3.3Å; F305-Q527 HydrophobicContact CE2-CB 3.99Å; F305-Q527 HydrophobicContact CE2-CG 4.41Å; F305-Q527 HydrophobicContact CZ-CB 3.6Å; F305-Q527 HydrophobicContact CZ-CG 4.24Å; Y516-Q527 HydrophobicContact CD2-CG 4.2Å; Y516-Q527 HydrophobicContact CE2-CG 4.29Å; D524-Q527 VanDerWaalsContact O-CB 3.31Å; D524-Q527 WeakPolarHBondContact O-CB 3.4Å; D524-Q527 PolarHBondContact O-N 2.75Å; D524-Q527 VanDerWaalsContact O-N 3.1Å; L525-Q527 PolarHBondContact O-N 3.49Å; Q527-F529 PolarHBondContact O-N 2.76Å; Q527-F529 VanDerWaalsContact O-N 3.1Å; Q527-E530 PolarHBondContact O-N 2.93Å; Q527-N531 CarbonylContact O-C 3.51Å; Q527-N531 PolarHBondContact O-N 3.33Å; Q527-N531 PolarHBondContact OE1-ND2 2.82Å
528	I	97.4	Very high	96.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-57.1	-28.7	-179.3	-166.9	172.8	0	0	0	113.1	W526 P532 W535 E616 K619 F620 F624	W526-I528 PolarHBondContact O-N 3.34Å; I528-P532 WeakPolarHBondContact O-CA 3.39Å; I528-P532 WeakPolarHBondContact O-CB 3.34Å; I528-W535 HydrophobicContact CB-CD2 3.72Å; I528-W535 HydrophobicContact CB-CE3 4.25Å; I528-W535 HydrophobicContact CB-CG 3.83Å; I528-W535 HydrophobicContact CB-CZ2 4.4Å; I528-W535 HydrophobicContact CD1-CD2 4.17Å; I528-W535 HydrophobicContact CD1-CE3 3.89Å; I528-W535 HydrophobicContact CD1-CH2 3.84Å; I528-W535 HydrophobicContact CD1-CZ2 4.1Å; I528-W535 HydrophobicContact CD1-CZ3 3.72Å; I528-W535 HydrophobicContact CG1-CD2 3.83Å; I528-W535 HydrophobicContact CG1-CE3 3.81Å; I528-W535 HydrophobicContact CG1-CG 4.29Å; I528-W535 HydrophobicContact CG1-CZ3 4.19Å; I528-W535 VanDerWaalsContact N-CD1 3.27Å; I528-E616 HydrophobicContact CG2-CB 3.85Å; I528-E616 HydrophobicContact CG2-CG 3.93Å; I528-K619 HydrophobicContact CD1-CB 4.21Å; I528-K619 HydrophobicContact CD1-CD 4.33Å; I528-K619 HydrophobicContact CD1-CG 3.9Å; I528-K619 HydrophobicContact CG1-CD 4Å; I528-K619 HydrophobicContact CG1-CG 4.13Å; I528-K619 HydrophobicContact CG2-CD 4.22Å; I528-K619 WeakPolarHBondContact O-CE 3.28Å; I528-K619 PolarHBondContact O-NZ 3.3Å; I528-F620 HydrophobicContact CD1-CB 3.9Å; I528-F624 HydrophobicContact CD1-CE2 4.38Å
529	F	95.6	Very high	96.6	Very high	94 Å²	94	39 Å²	39	41%	0.412	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-49.7	177.7	-71	-80.8	0	0	0	113.7	Q527 K615 E616 K619	Q527-F529 PolarHBondContact O-N 2.76Å; Q527-F529 VanDerWaalsContact O-N 3.1Å; F529-K615 HydrophobicContact CE2-CB 4.25Å; F529-K615 HydrophobicContact CZ-CB 4.33Å; F529-K615 WeakPolarHBondContact CZ-O 3.42Å; F529-E616 HydrophobicContact CD2-CG 4.24Å; F529-E616 HydrophobicContact CE2-CB 4.45Å; F529-E616 HydrophobicContact CE2-CG 4.01Å; F529-K619 HydrophobicContact CD1-CD 3.44Å; F529-K619 VanDerWaalsContact CD1-CD 3.44Å; F529-K619 HydrophobicContact CD2-CD 4.38Å; F529-K619 HydrophobicContact CE1-CB 4.02Å; F529-K619 HydrophobicContact CE1-CD 3.31Å; F529-K619 HydrophobicContact CE1-CG 4.2Å; F529-K619 HydrophobicContact CE2-CB 4.29Å; F529-K619 HydrophobicContact CE2-CD 4.27Å; F529-K619 HydrophobicContact CG-CD 3.99Å; F529-K619 HydrophobicContact CZ-CB 3.67Å; F529-K619 HydrophobicContact CZ-CD 3.74Å; F529-K619 HydrophobicContact CZ-CG 4.31Å
530	E	95.3	Very high	96.8	Very high	43 Å²	43	32.3 Å²	32.3	20%	0.201	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-34.3	-171.1	-66.5	-63.3	155	0	0	112.1	R415 S512 K515 Q527	R415-E530 IonicContact NH2-OE2 3.41Å; S512-E530 PolarHBondContact OG-OE2 3.49Å; K515-E530 HydrophobicContact CB-CG 4.39Å; K515-E530 WeakPolarHBondContact CD-OE1 3.26Å; K515-E530 IonicContact NZ-OE1 3.7Å; K515-E530 PolarHBondContact NZ-OE1 3.42Å; Q527-E530 PolarHBondContact O-N 2.93Å
531	N	96.9	Very high	97	Very high	7 Å²	7	32 Å²	32	4%	0.037	16%	0.155	C	C	.	.	S	Bend	trans	-134.9	60.5	-175.4	-64.4	-67.5	0	0	0	111.5	F305 L511 S512 Q527 L533 D534 W535	F305-N531 HydrophobicContact CE2-CB 3.78Å; L511-N531 WeakPolarHBondContact CA-OD1 3.33Å; L511-N531 HydrophobicContact CD2-CB 4.3Å; S512-N531 PolarHBondContact N-OD1 3.46Å; S512-N531 PolarHBondContact O-ND2 2.83Å; Q527-N531 CarbonylContact O-C 3.51Å; Q527-N531 PolarHBondContact O-N 3.33Å; Q527-N531 PolarHBondContact OE1-ND2 2.82Å; N531-L533 PolarHBondContact O-N 2.87Å; N531-D534 HydrophobicContact CB-CB 4.32Å; N531-D534 PolarHBondContact O-N 2.86Å; N531-W535 WeakPolarHBondContact O-CB 3.4Å; N531-W535 PolarHBondContact O-N 3.36Å
532	P	96.3	Very high	97	Very high	44 Å²	44	35.4 Å²	35.4	29%	0.286	17%	0.168	S	C	.	.	H	α-helix	trans	-61.2	-38.2	-169.3	21.5	-33.3	0	0	0	114.3	I528 Q536	I528-P532 WeakPolarHBondContact O-CA 3.39Å; I528-P532 WeakPolarHBondContact O-CB 3.34Å; P532-Q536 VanDerWaalsContact O-CB 3.29Å; P532-Q536 WeakPolarHBondContact O-CB 3.19Å; P532-Q536 PolarHBondContact O-N 3.06Å
533	L	96	Very high	97	Very high	69 Å²	69	36.8 Å²	36.8	36%	0.361	18%	0.177	S	C	.	.	H	α-helix	trans	-68.1	-42.5	179.8	-65.8	-171.8	0	0	0	111.8	V416 N531 Q536 E537	V416-L533 HydrophobicContact CB-CD1 4.37Å; V416-L533 HydrophobicContact CG1-CD1 3.64Å; V416-L533 HydrophobicContact CG1-CG 4.19Å; V416-L533 HydrophobicContact CG2-CD1 3.81Å; N531-L533 PolarHBondContact O-N 2.87Å; L533-Q536 PolarHBondContact O-N 2.86Å; L533-E537 WeakPolarHBondContact O-CB 3.46Å; L533-E537 VanDerWaalsContact O-CG 3.31Å; L533-E537 WeakPolarHBondContact O-CG 3.43Å; L533-E537 PolarHBondContact O-N 2.7Å
534	D	97.3	Very high	97	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-39.7	178.3	-63.6	-87.2	0	0	0	111.1	F305 V391 R509 L511 N531 E537 R538	F305-D534 HydrophobicContact CD2-CB 3.73Å; F305-D534 HydrophobicContact CE2-CB 3.48Å; F305-D534 VanDerWaalsContact CE2-CB 3.48Å; F305-D534 HydrophobicContact CG-CB 4.49Å; F305-D534 HydrophobicContact CZ-CB 4.03Å; V391-D534 WeakPolarHBondContact CG2-OD1 3.26Å; R509-D534 IonicContact CZ-OD1 3.1Å; R509-D534 IonicContact CZ-OD2 3.78Å; R509-D534 VanDerWaalsContact NE-CG 3.33Å; R509-D534 IonicContact NE-OD1 2.87Å; R509-D534 PolarHBondContact NE-OD1 2.83Å; R509-D534 VanDerWaalsContact NE-OD1 3.14Å; R509-D534 IonicContact NE-OD2 2.88Å; R509-D534 PolarHBondContact NE-OD2 3.47Å; R509-D534 IonicContact NH2-OD1 2.89Å; R509-D534 PolarHBondContact NH2-OD1 3.39Å; R509-D534 IonicContact NH2-OD2 2.79Å; L511-D534 HydrophobicContact CD2-CB 3.96Å; L511-D534 WeakPolarHBondContact CD2-OD2 3.47Å; N531-D534 HydrophobicContact CB-CB 4.32Å; N531-D534 PolarHBondContact O-N 2.86Å; D534-E537 PolarHBondContact O-N 2.55Å; D534-R538 VanDerWaalsContact O-CB 3.31Å; D534-R538 WeakPolarHBondContact O-CB 3.29Å; D534-R538 PolarHBondContact O-N 3.15Å
535	W	97.9	Very high	96.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-47.2	172.4	-170.9	95.4	0	0	0	111.5	F305 D524 L525 I528 N531 R538 Y539 I540 F566 F620 F624	F305-W535 HydrophobicContact CZ-CB 4.15Å; D524-W535 VanDerWaalsContact O-CD1 3.3Å; L525-W535 PolarHBondContact O-NE1 2.57Å; I528-W535 HydrophobicContact CB-CD2 3.72Å; I528-W535 HydrophobicContact CB-CE3 4.25Å; I528-W535 HydrophobicContact CB-CG 3.83Å; I528-W535 HydrophobicContact CB-CZ2 4.4Å; I528-W535 HydrophobicContact CD1-CD2 4.17Å; I528-W535 HydrophobicContact CD1-CE3 3.89Å; I528-W535 HydrophobicContact CD1-CH2 3.84Å; I528-W535 HydrophobicContact CD1-CZ2 4.1Å; I528-W535 HydrophobicContact CD1-CZ3 3.72Å; I528-W535 HydrophobicContact CG1-CD2 3.83Å; I528-W535 HydrophobicContact CG1-CE3 3.81Å; I528-W535 HydrophobicContact CG1-CG 4.29Å; I528-W535 HydrophobicContact CG1-CZ3 4.19Å; I528-W535 VanDerWaalsContact N-CD1 3.27Å; N531-W535 WeakPolarHBondContact O-CB 3.4Å; N531-W535 PolarHBondContact O-N 3.36Å; W535-R538 PolarHBondContact O-N 3.09Å; W535-Y539 AromaticContact CD1-CD2 3.53Å; W535-Y539 AromaticContact CD1-CE2 3.7Å; W535-Y539 AromaticContact CD2-CD2 3.84Å; W535-Y539 HydrophobicContact CD2-CD2 3.84Å; W535-Y539 AromaticContact CE2-CD2 3.61Å; W535-Y539 AromaticContact CG-CD2 3.8Å; W535-Y539 HydrophobicContact CG-CD2 3.8Å; W535-Y539 HydrophobicContact CG-CE2 4.34Å; W535-Y539 HydrophobicContact CZ2-CD2 4.27Å; W535-Y539 AromaticContact NE1-CD2 3.44Å; W535-Y539 AromaticContact NE1-CE2 3.74Å; W535-Y539 WeakPolarHBondContact O-CB 3.35Å; W535-Y539 WeakPolarHBondContact O-CD2 3.28Å; W535-Y539 PolarHBondContact O-N 3.45Å; W535-I540 HydrophobicContact CE3-CG1 4.43Å; W535-I540 HydrophobicContact CH2-CD1 4.26Å; W535-I540 HydrophobicContact CZ3-CD1 3.8Å; W535-I540 HydrophobicContact CZ3-CG1 3.83Å; W535-F566 HydrophobicContact CH2-CE1 4.14Å; W535-F620 HydrophobicContact CH2-CB 4.26Å; W535-F620 AromaticContact CH2-CD2 3.93Å; W535-F620 HydrophobicContact CH2-CD2 3.93Å; W535-F620 HydrophobicContact CH2-CG 4.42Å; W535-F620 HydrophobicContact CZ3-CD2 4.41Å; W535-F624 HydrophobicContact CE3-CE2 4.26Å; W535-F624 HydrophobicContact CZ3-CD2 4.26Å; W535-F624 AromaticContact CZ3-CE2 3.69Å; W535-F624 HydrophobicContact CZ3-CE2 3.69Å; W535-F624 HydrophobicContact CZ3-CZ 4.33Å
536	Q	97.7	Very high	96.5	Very high	55 Å²	55	47.6 Å²	47.6	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-48.7	176.5	179.9	-177	-7.5	0	0	111.3	P532 L533 R538 Y539 I540 F624	P532-Q536 VanDerWaalsContact O-CB 3.29Å; P532-Q536 WeakPolarHBondContact O-CB 3.19Å; P532-Q536 PolarHBondContact O-N 3.06Å; L533-Q536 PolarHBondContact O-N 2.86Å; Q536-R538 PolarHBondContact O-N 3.21Å; Q536-Y539 PolarHBondContact O-N 3.31Å; Q536-I540 HydrophobicContact CB-CG1 4.46Å; Q536-I540 HydrophobicContact CG-CB 4Å; Q536-I540 HydrophobicContact CG-CG1 4.01Å; Q536-I540 HydrophobicContact CG-CG2 4.49Å; Q536-I540 WeakPolarHBondContact O-CB 3.31Å; Q536-I540 PolarHBondContact O-N 3.29Å; Q536-F624 HydrophobicContact CB-CZ 4.08Å; Q536-F624 HydrophobicContact CG-CE1 3.83Å; Q536-F624 HydrophobicContact CG-CZ 3.89Å
537	E	96	Very high	96.3	Very high	92 Å²	92	46.1 Å²	46.1	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-31.3	178	-73.8	177.8	-170.8	0	0	112.3	K393 R509 L533 D534	K393-E537 IonicContact NZ-OE1 2.78Å; K393-E537 PolarHBondContact NZ-OE1 3.26Å; K393-E537 IonicContact NZ-OE2 3.63Å; K393-E537 PolarHBondContact NZ-OE2 3.44Å; R509-E537 IonicContact CZ-OE1 3.81Å; R509-E537 IonicContact CZ-OE2 2.7Å; R509-E537 IonicContact NH1-OE1 2.6Å; R509-E537 PolarHBondContact NH1-OE1 2.88Å; R509-E537 IonicContact NH1-OE2 3.67Å; R509-E537 IonicContact NH2-OE1 2.83Å; R509-E537 PolarHBondContact NH2-OE1 3.34Å; R509-E537 IonicContact NH2-OE2 3.98Å; R509-E537 PolarHBondContact NH2-OE2 3.16Å; L533-E537 WeakPolarHBondContact O-CB 3.46Å; L533-E537 VanDerWaalsContact O-CG 3.31Å; L533-E537 WeakPolarHBondContact O-CG 3.43Å; L533-E537 PolarHBondContact O-N 2.7Å; D534-E537 PolarHBondContact O-N 2.55Å
538	R	97	Very high	95.8	Very high	40 Å²	40	50 Å²	50	15%	0.151	24%	0.241	C	C	.	.	H	α-helix	trans	-81.7	-35	-179.8	-177.6	56.2	176.2	-178.3	9.3	113.6	F305 E311 D534 W535 Q536 N567	F305-R538 HydrophobicContact CD1-CB 4.31Å; F305-R538 HydrophobicContact CD1-CG 4.3Å; F305-R538 HydrophobicContact CE1-CB 4.12Å; F305-R538 HydrophobicContact CE1-CG 4.31Å; E311-R538 IonicContact OE1-NH1 3.57Å; E311-R538 PolarHBondContact OE1-NH1 2.94Å; D534-R538 VanDerWaalsContact O-CB 3.31Å; D534-R538 WeakPolarHBondContact O-CB 3.29Å; D534-R538 PolarHBondContact O-N 3.15Å; W535-R538 PolarHBondContact O-N 3.09Å; Q536-R538 PolarHBondContact O-N 3.21Å; R538-N567 PolarHBondContact O-ND2 3.23Å; R538-N567 PolarHBondContact O-OD1 3.13Å
539	Y	98.5	Very high	95.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-121.1	-25.3	-165.6	-65.5	-58	0	0	0	115.5	F305 D524 L525 W535 Q536 N567 V569 A570 H573	F305-Y539 HydrophobicContact CE1-CE2 4.21Å; D524-Y539 HydrophobicContact CB-CE2 4.22Å; D524-Y539 WeakPolarHBondContact CB-OH 3.48Å; D524-Y539 WeakPolarHBondContact O-CE2 3.47Å; L525-Y539 HydrophobicContact CD2-CD1 4.16Å; L525-Y539 HydrophobicContact CD2-CE1 3.74Å; L525-Y539 HydrophobicContact CD2-CE2 4.22Å; L525-Y539 HydrophobicContact CG-CE1 4.49Å; L525-Y539 PolarHBondContact N-OH 3.45Å; W535-Y539 AromaticContact CD1-CD2 3.53Å; W535-Y539 AromaticContact CD1-CE2 3.7Å; W535-Y539 AromaticContact CD2-CD2 3.84Å; W535-Y539 HydrophobicContact CD2-CD2 3.84Å; W535-Y539 AromaticContact CE2-CD2 3.61Å; W535-Y539 AromaticContact CG-CD2 3.8Å; W535-Y539 HydrophobicContact CG-CD2 3.8Å; W535-Y539 HydrophobicContact CG-CE2 4.34Å; W535-Y539 HydrophobicContact CZ2-CD2 4.27Å; W535-Y539 AromaticContact NE1-CD2 3.44Å; W535-Y539 AromaticContact NE1-CE2 3.74Å; W535-Y539 WeakPolarHBondContact O-CB 3.35Å; W535-Y539 WeakPolarHBondContact O-CD2 3.28Å; W535-Y539 PolarHBondContact O-N 3.45Å; Q536-Y539 PolarHBondContact O-N 3.31Å; Y539-N567 PolarHBondContact O-N 3.39Å; Y539-N567 PolarHBondContact O-OD1 2.95Å; Y539-V569 HydrophobicContact CD1-CG1 4.32Å; Y539-V569 HydrophobicContact CE1-CG1 4.03Å; Y539-A570 HydrophobicContact CD1-CB 3.68Å; Y539-A570 HydrophobicContact CG-CB 4.18Å; Y539-A570 VanDerWaalsContact O-CB 3.26Å; Y539-A570 WeakPolarHBondContact O-CB 3.38Å; Y539-H573 AromaticContact CE1-ND1 3.87Å
540	I	98.4	Very high	95.4	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.046	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-84	141.4	-179.8	-62.4	-62.2	0	0	0	109.9	W535 Q536 E542 Y544 F566 F620 F624	W535-I540 HydrophobicContact CE3-CG1 4.43Å; W535-I540 HydrophobicContact CH2-CD1 4.26Å; W535-I540 HydrophobicContact CZ3-CD1 3.8Å; W535-I540 HydrophobicContact CZ3-CG1 3.83Å; Q536-I540 HydrophobicContact CB-CG1 4.46Å; Q536-I540 HydrophobicContact CG-CB 4Å; Q536-I540 HydrophobicContact CG-CG1 4.01Å; Q536-I540 HydrophobicContact CG-CG2 4.49Å; Q536-I540 WeakPolarHBondContact O-CB 3.31Å; Q536-I540 PolarHBondContact O-N 3.29Å; I540-E542 PolarHBondContact O-N 3.47Å; I540-Y544 VanDerWaalsContact CG2-CB 3.45Å; I540-Y544 HydrophobicContact CG2-CD1 3.89Å; I540-Y544 HydrophobicContact CG2-CD2 4.07Å; I540-Y544 HydrophobicContact CG2-CG 3.52Å; I540-F566 HydrophobicContact CD1-CD1 4.15Å; I540-F566 HydrophobicContact CD1-CE1 4.15Å; I540-F620 HydrophobicContact CD1-CD2 4.14Å; I540-F620 HydrophobicContact CD1-CE2 3.94Å; I540-F624 HydrophobicContact CB-CE1 4.49Å; I540-F624 HydrophobicContact CD1-CB 4.4Å; I540-F624 HydrophobicContact CD1-CD1 3.89Å; I540-F624 HydrophobicContact CD1-CD2 3.88Å; I540-F624 HydrophobicContact CD1-CE1 4.15Å; I540-F624 HydrophobicContact CD1-CE2 4.12Å; I540-F624 HydrophobicContact CD1-CG 3.77Å; I540-F624 HydrophobicContact CD1-CZ 4.25Å; I540-F624 HydrophobicContact CG1-CD1 3.93Å; I540-F624 HydrophobicContact CG1-CD2 4.34Å; I540-F624 HydrophobicContact CG1-CE1 3.7Å; I540-F624 HydrophobicContact CG1-CE2 4.11Å; I540-F624 HydrophobicContact CG1-CG 4.26Å; I540-F624 HydrophobicContact CG1-CZ 3.79Å; I540-F624 HydrophobicContact CG2-CD1 4.23Å; I540-F624 HydrophobicContact CG2-CE1 4.3Å
541	H	98	Very high	95.2	Very high	31 Å²	31	63.4 Å²	63.4	14%	0.144	30%	0.301	C	S	.	.			trans	-56.3	132.1	179.5	-164.2	-45.9	0	0	0	110.4	N543 Y544 P564 L565 F566 W701	H541-N543 PolarHBondContact ND1-N 3.17Å; H541-N543 PolarHBondContact O-N 3.28Å; H541-Y544 WeakPolarHBondContact O-CB 3.38Å; H541-Y544 PolarHBondContact O-N 2.03Å; H541-P564 HydrophobicContact CB-CB 4.11Å; H541-P564 WeakPolarHBondContact CD2-CB 3.45Å; H541-L565 PolarHBondContact N-O 3.28Å; H541-F566 PolarHBondContact CD2-O 3.37Å; H541-W701 AromaticContact NE2-NE1 3.83Å
542	E	95.3	Very high	95.1	Very high	154 Å²	154	65.4 Å²	65.4	72%	0.72	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.6	-179.9	62.6	-153	-153.5	0	0	114.8	I540	I540-E542 PolarHBondContact O-N 3.47Å
543	N	95.7	Very high	95.1	Very high	54 Å²	54	65 Å²	65	29%	0.289	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.2	179.6	-72.3	-28	0	0	0	113.5	H541 T545 R546 M547 L552 P564	H541-N543 PolarHBondContact ND1-N 3.17Å; H541-N543 PolarHBondContact O-N 3.28Å; N543-T545 PolarHBondContact O-N 3.1Å; N543-R546 CarbonylContact O-C 3.58Å; N543-R546 PolarHBondContact O-N 3.25Å; N543-M547 PolarHBondContact O-N 2.88Å; N543-L552 HydrophobicContact CB-CD1 3.69Å; N543-P564 HydrophobicContact CB-CG 4.35Å
544	Y	96.3	Very high	95.1	Very high	25 Å²	25	65.5 Å²	65.5	10%	0.098	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-52.8	-51.7	-176.8	173.9	-87.7	0	0	0	111.7	I540 H541 R546 M547 L565 F624 I628	I540-Y544 VanDerWaalsContact CG2-CB 3.45Å; I540-Y544 HydrophobicContact CG2-CD1 3.89Å; I540-Y544 HydrophobicContact CG2-CD2 4.07Å; I540-Y544 HydrophobicContact CG2-CG 3.52Å; H541-Y544 WeakPolarHBondContact O-CB 3.38Å; H541-Y544 PolarHBondContact O-N 2.03Å; Y544-R546 PolarHBondContact O-N 3.36Å; Y544-R546 VanDerWaalsContact O-N 3.14Å; Y544-M547 HydrophobicContact CD1-CE 4.25Å; Y544-M547 HydrophobicContact CD2-CE 3.1Å; Y544-M547 HydrophobicContact CE1-CE 4.3Å; Y544-M547 HydrophobicContact CE2-CE 3.15Å; Y544-M547 HydrophobicContact CG-CE 3.64Å; Y544-M547 WeakPolarHBondContact O-CE 3.01Å; Y544-M547 VanDerWaalsContact O-CG 3.31Å; Y544-M547 WeakPolarHBondContact O-CG 3.46Å; Y544-M547 PolarHBondContact O-N 2.89Å; Y544-L565 HydrophobicContact CD2-CD1 3.85Å; Y544-L565 HydrophobicContact CE2-CD1 3.75Å; Y544-F624 HydrophobicContact CD1-CD1 4.17Å; Y544-F624 AromaticContact CE1-CD1 3.66Å; Y544-F624 HydrophobicContact CE1-CD1 3.66Å; Y544-F624 HydrophobicContact CE1-CE1 4.3Å; Y544-F624 HydrophobicContact CE2-CB 3.99Å; Y544-F624 HydrophobicContact CE2-CD1 4.16Å; Y544-F624 VanDerWaalsContact CE2-O 3.27Å; Y544-F624 WeakPolarHBondContact CE2-O 3.44Å; Y544-F624 AromaticContact CZ-CD1 3.69Å; Y544-F624 VanDerWaalsContact OH-CA 3.26Å; Y544-F624 WeakPolarHBondContact OH-CA 3.37Å; Y544-F624 PolarHBondContact OH-O 2.92Å; Y544-I628 HydrophobicContact CE2-CG1 4.33Å
545	T	92.6	Very high	95	Very high	101 Å²	101	69 Å²	69	62%	0.62	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-65.7	-20.6	-177.7	58.6	0	0	0	0	113.6	N543	N543-T545 PolarHBondContact O-N 3.1Å
546	R	92.8	Very high	94.9	Very high	134 Å²	134	71.3 Å²	71.3	51%	0.506	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-103.8	-9.5	-178.6	-66.1	176.6	56.5	178.5	-3.4	113.1	N543 Y544 I548 K549 D550	N543-R546 CarbonylContact O-C 3.58Å; N543-R546 PolarHBondContact O-N 3.25Å; Y544-R546 PolarHBondContact O-N 3.36Å; Y544-R546 VanDerWaalsContact O-N 3.14Å; R546-I548 VanDerWaalsContact C-N 3.27Å; R546-I548 PolarHBondContact O-N 2.9Å; R546-I548 VanDerWaalsContact O-N 3.14Å; R546-K549 PolarHBondContact O-N 2.76Å; R546-D550 WeakPolarHBondContact CB-OD2 3.45Å; R546-D550 IonicContact CZ-OD2 3.65Å; R546-D550 IonicContact NE-OD2 3.59Å; R546-D550 PolarHBondContact NE-OD2 3.1Å; R546-D550 IonicContact NH2-OD1 3.99Å; R546-D550 IonicContact NH2-OD2 2.79Å; R546-D550 PolarHBondContact NH2-OD2 3.45Å; R546-D550 WeakPolarHBondContact O-CB 3.02Å; R546-D550 PolarHBondContact O-N 2.79Å
547	M	93.3	Very high	94.9	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.005	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-37	-167.9	78.5	175.7	113.1	0	0	113.4	N543 Y544 K551 L552 I553 F563 P564 I628	N543-M547 PolarHBondContact O-N 2.88Å; Y544-M547 HydrophobicContact CD1-CE 4.25Å; Y544-M547 HydrophobicContact CD2-CE 3.1Å; Y544-M547 HydrophobicContact CE1-CE 4.3Å; Y544-M547 HydrophobicContact CE2-CE 3.15Å; Y544-M547 HydrophobicContact CG-CE 3.64Å; Y544-M547 WeakPolarHBondContact O-CE 3.01Å; Y544-M547 VanDerWaalsContact O-CG 3.31Å; Y544-M547 WeakPolarHBondContact O-CG 3.46Å; Y544-M547 PolarHBondContact O-N 2.89Å; M547-K551 CarbonylContact O-C 3.49Å; M547-K551 WeakPolarHBondContact O-CA 3.48Å; M547-K551 PolarHBondContact O-N 2.91Å; M547-L552 HydrophobicContact CB-CB 4.09Å; M547-L552 HydrophobicContact CB-CD1 4.42Å; M547-L552 PolarHBondContact O-N 3.32Å; M547-I553 HydrophobicContact CB-CG1 4.47Å; M547-I553 HydrophobicContact CG-CD1 4.16Å; M547-I553 HydrophobicContact CG-CG1 4.03Å; M547-I553 HydrophobicContact SD-CD1 4Å; M547-I553 HydrophobicContact SD-CG1 3.92Å; M547-F563 HydrophobicContact CE-CD2 4.47Å; M547-F563 HydrophobicContact SD-CB 3.92Å; M547-F563 HydrophobicContact SD-CD2 4.04Å; M547-F563 HydrophobicContact SD-CG 4.3Å; M547-P564 HydrophobicContact CB-CG 4.23Å; M547-I628 HydrophobicContact CE-CD1 3.37Å; M547-I628 HydrophobicContact CE-CG1 3.83Å; M547-I628 HydrophobicContact SD-CD1 3.87Å; M547-I628 HydrophobicContact SD-CG1 4.37Å
548	I	88.4	Confident	94.9	Very high	88 Å²	88	67.9 Å²	67.9	45%	0.451	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-44.6	178.8	-62.4	175.7	0	0	0	110.1	R546 K551 I553 I628 K631	R546-I548 VanDerWaalsContact C-N 3.27Å; R546-I548 PolarHBondContact O-N 2.9Å; R546-I548 VanDerWaalsContact O-N 3.14Å; I548-K551 PolarHBondContact O-N 3.17Å; I548-I553 HydrophobicContact CG1-CD1 4.22Å; I548-I628 HydrophobicContact CD1-CD1 4.16Å; I548-I628 HydrophobicContact CG1-CD1 4.49Å; I548-K631 HydrophobicContact CD1-CG 4.32Å
549	K	91.1	Very high	94.9	Very high	176 Å²	176	69.7 Å²	69.7	77%	0.765	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-45	-178.8	-178.6	-177.1	174.7	-176.3	0	111.3	R546 K551	R546-K549 PolarHBondContact O-N 2.76Å; K549-K551 VanDerWaalsContact C-N 3.26Å; K549-K551 PolarHBondContact O-N 2.82Å
550	D	92.9	Very high	94.9	Very high	57 Å²	57	69.7 Å²	69.7	31%	0.305	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.6	-175.6	-63.5	-8.9	0	0	0	112	R546 L552	R546-D550 WeakPolarHBondContact CB-OD2 3.45Å; R546-D550 IonicContact CZ-OD2 3.65Å; R546-D550 IonicContact NE-OD2 3.59Å; R546-D550 PolarHBondContact NE-OD2 3.1Å; R546-D550 IonicContact NH2-OD1 3.99Å; R546-D550 IonicContact NH2-OD2 2.79Å; R546-D550 PolarHBondContact NH2-OD2 3.45Å; R546-D550 WeakPolarHBondContact O-CB 3.02Å; R546-D550 PolarHBondContact O-N 2.79Å; D550-L552 VanDerWaalsContact C-N 3.33Å; D550-L552 HydrophobicContact CB-CD1 4.37Å; D550-L552 HydrophobicContact CB-CD2 4.2Å; D550-L552 HydrophobicContact CB-CG 3.96Å; D550-L552 PolarHBondContact O-N 3.21Å
551	K	91.8	Very high	94.9	Very high	185 Å²	185	70.6 Å²	70.6	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	45.4	177.9	-56.9	-179.3	-179.9	-179.9	0	113.1	M547 I548 K549 I553	M547-K551 CarbonylContact O-C 3.49Å; M547-K551 WeakPolarHBondContact O-CA 3.48Å; M547-K551 PolarHBondContact O-N 2.91Å; I548-K551 PolarHBondContact O-N 3.17Å; K549-K551 VanDerWaalsContact C-N 3.26Å; K549-K551 PolarHBondContact O-N 2.82Å; K551-I553 VanDerWaalsContact C-N 3.34Å
552	L	93.8	Very high	94.9	Very high	48 Å²	48	70.4 Å²	70.4	25%	0.251	35%	0.345	S	S	.	.			trans	-83.9	-10.2	-180	-54.3	-179.4	0	0	0	113.3	N543 M547 D550 E554 W701	N543-L552 HydrophobicContact CB-CD1 3.69Å; M547-L552 HydrophobicContact CB-CB 4.09Å; M547-L552 HydrophobicContact CB-CD1 4.42Å; M547-L552 PolarHBondContact O-N 3.32Å; D550-L552 VanDerWaalsContact C-N 3.33Å; D550-L552 HydrophobicContact CB-CD1 4.37Å; D550-L552 HydrophobicContact CB-CD2 4.2Å; D550-L552 HydrophobicContact CB-CG 3.96Å; D550-L552 PolarHBondContact O-N 3.21Å; L552-E554 PolarHBondContact O-N 2.76Å; L552-W701 WeakPolarHBondContact O-CZ3 3.36Å
553	I	96.2	Very high	95	Very high	35 Å²	35	63 Å²	63	18%	0.179	31%	0.311	C	S	.	.			trans	-75.4	121.6	175.5	-54.4	179.6	0	0	0	108.4	M547 I548 K551 Y561 F563 I628 M632	M547-I553 HydrophobicContact CB-CG1 4.47Å; M547-I553 HydrophobicContact CG-CD1 4.16Å; M547-I553 HydrophobicContact CG-CG1 4.03Å; M547-I553 HydrophobicContact SD-CD1 4Å; M547-I553 HydrophobicContact SD-CG1 3.92Å; I548-I553 HydrophobicContact CG1-CD1 4.22Å; K551-I553 VanDerWaalsContact C-N 3.34Å; I553-Y561 HydrophobicContact CG2-CD1 4.25Å; I553-F563 HydrophobicContact CB-CB 4.46Å; I553-F563 HydrophobicContact CG1-CB 3.96Å; I553-F563 HydrophobicContact CG2-CB 4.34Å; I553-I628 HydrophobicContact CD1-CG2 4.14Å; I553-M632 HydrophobicContact CD1-SD 3.87Å; I553-M632 HydrophobicContact CG2-CE 4.1Å; I553-M632 HydrophobicContact CG2-SD 4.25Å
554	E	96.4	Very high	95.1	Very high	81 Å²	81	60.5 Å²	60.5	38%	0.379	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	161.7	178	-69	171.6	-146.2	0	0	111.2	L552 Y561 W562 R698	L552-E554 PolarHBondContact O-N 2.76Å; E554-Y561 CarbonylContact O-C 3.53Å; E554-Y561 WeakPolarHBondContact O-CA 3.43Å; E554-W562 HydrophobicContact CB-CB 4.36Å; E554-W562 PolarHBondContact N-O 3.22Å; E554-W562 PolarHBondContact O-N 2.89Å; E554-R698 IonicContact OE1-CZ 3.18Å; E554-R698 IonicContact OE1-NH1 3.3Å; E554-R698 PolarHBondContact OE1-NH1 2.6Å; E554-R698 IonicContact OE1-NH2 2.75Å; E554-R698 PolarHBondContact OE1-NH2 3Å; E554-R698 IonicContact OE2-CZ 3.99Å; E554-R698 IonicContact OE2-NH1 3.44Å; E554-R698 IonicContact OE2-NH2 3.07Å; E554-R698 PolarHBondContact OE2-NH2 3.24Å
555	N	95.1	Very high	95.2	Very high	82 Å²	82	59.3 Å²	59.3	44%	0.439	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	70.9	177.6	-165.8	4.4	0	0	0	109.5	C557 V560 Y561	N555-C557 VanDerWaalsContact C-N 3.28Å; N555-C557 PolarHBondContact O-N 3.38Å; N555-C557 PolarHBondContact OD1-O 2.8Å; N555-V560 WeakPolarHBondContact CA-O 3.5Å; N555-V560 PolarHBondContact OD1-N 2.78Å; N555-V560 PolarHBondContact OD1-O 2.93Å; N555-Y561 HydrophobicContact CB-CD1 4.35Å; N555-Y561 HydrophobicContact CB-CE1 4.42Å
556	P	96.3	Very high	95.4	Very high	50 Å²	50	54.8 Å²	54.8	33%	0.325	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-28.7	-172.2	23	-36.8	0	0	0	114.7	V560 W562 C692 I694	P556-V560 WeakPolarHBondContact CD-O 3.49Å; P556-V560 HydrophobicContact CG-CG1 4.49Å; P556-W562 HydrophobicContact CB-CE3 4.46Å; P556-W562 HydrophobicContact CG-CB 4.03Å; P556-W562 HydrophobicContact CG-CE3 4.09Å; P556-C692 PolarHBondContact O-SG 2.81Å; P556-I694 HydrophobicContact CB-CD1 4.24Å; P556-I694 HydrophobicContact CB-CG1 4.18Å; P556-I694 HydrophobicContact CG-CD1 3.75Å; P556-I694 HydrophobicContact CG-CG1 4.22Å
557	C	96.6	Very high	95.7	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	156.9	176	-55.5	0	0	0	0	109	N555 D559 V560 F687 C692	N555-C557 VanDerWaalsContact C-N 3.28Å; N555-C557 PolarHBondContact O-N 3.38Å; N555-C557 PolarHBondContact OD1-O 2.8Å; C557-D559 PolarHBondContact O-N 3.35Å; C557-V560 HydrophobicContact CB-CB 3.89Å; C557-V560 HydrophobicContact CB-CG2 3.74Å; C557-V560 PolarHBondContact O-N 3.1Å; C557-F687 HydrophobicContact CB-CD2 4.28Å; C557-C692 WeakPolarHBondContact CA-SG 3.36Å; C557-C692 HydrophobicContact CB-CB 3.68Å; C557-C692 WeakPolarHBondContact CB-SG 3.25Å; C557-C692 WeakPolarHBondContact SG-CB 3.2Å; C557-C692 CovalentContact SG-SG 2.03Å; C557-C692 PolarHBondContact SG-SG 3.35Å
558	P	97.3	Very high	95.9	Very high	70 Å²	70	53.8 Å²	53.8	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	125.8	178.2	-26.8	35.2	0	0	0	112.4	V560 Y690 H711	P558-V560 PolarHBondContact O-N 3.25Å; P558-Y690 HydrophobicContact CB-CD1 4.27Å; P558-Y690 HydrophobicContact CB-CE1 4.27Å; P558-Y690 HydrophobicContact CB-CG 4.47Å; P558-Y690 HydrophobicContact CG-CD1 4.07Å; P558-Y690 HydrophobicContact CG-CG 4.14Å; P558-H711 PolarHBondContact O-NE2 3.35Å; P558-H711 VanDerWaalsContact O-NE2 3.09Å
559	D	96.7	Very high	96.4	Very high	78 Å²	78	51.4 Å²	51.4	42%	0.417	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	25.2	-176.9	-59.8	-42.9	0	0	0	115.6	C557 P706	C557-D559 PolarHBondContact O-N 3.35Å; D559-P706 WeakPolarHBondContact O-CD 3.26Å
560	V	98	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	104.9	173.3	-177.5	0	0	0	0	108.9	N555 P556 C557 P558 F687 I694 L703 M704 H705	N555-V560 WeakPolarHBondContact CA-O 3.5Å; N555-V560 PolarHBondContact OD1-N 2.78Å; N555-V560 PolarHBondContact OD1-O 2.93Å; P556-V560 WeakPolarHBondContact CD-O 3.49Å; P556-V560 HydrophobicContact CG-CG1 4.49Å; C557-V560 HydrophobicContact CB-CB 3.89Å; C557-V560 HydrophobicContact CB-CG2 3.74Å; C557-V560 PolarHBondContact O-N 3.1Å; P558-V560 PolarHBondContact O-N 3.25Å; V560-F687 HydrophobicContact CB-CE2 4.38Å; V560-F687 HydrophobicContact CG1-CE2 3.84Å; V560-F687 HydrophobicContact CG1-CZ 3.92Å; V560-F687 HydrophobicContact CG2-CD1 4.3Å; V560-F687 HydrophobicContact CG2-CD2 4.04Å; V560-F687 HydrophobicContact CG2-CE1 4.02Å; V560-F687 HydrophobicContact CG2-CE2 3.74Å; V560-F687 HydrophobicContact CG2-CG 4.31Å; V560-F687 HydrophobicContact CG2-CZ 3.72Å; V560-I694 HydrophobicContact CG1-CD1 3.97Å; V560-L703 HydrophobicContact CG1-CD2 4.2Å; V560-M704 WeakPolarHBondContact CA-O 3.36Å; V560-H705 HydrophobicContact CB-CB 4.41Å; V560-H705 HydrophobicContact CG1-CB 4.29Å; V560-H705 HydrophobicContact CG2-CB 3.9Å
561	Y	98	Very high	97	Very high	29 Å²	29	40.5 Å²	40.5	11%	0.114	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	145.5	179.9	-62.8	-71.6	0	0	0	111.7	I553 E554 N555 M632 F633 L703 M704	I553-Y561 HydrophobicContact CG2-CD1 4.25Å; E554-Y561 CarbonylContact O-C 3.53Å; E554-Y561 WeakPolarHBondContact O-CA 3.43Å; N555-Y561 HydrophobicContact CB-CD1 4.35Å; N555-Y561 HydrophobicContact CB-CE1 4.42Å; Y561-M632 HydrophobicContact CD1-CB 4.38Å; Y561-M632 HydrophobicContact CD1-CE 3.39Å; Y561-M632 HydrophobicContact CD1-CG 4.28Å; Y561-M632 HydrophobicContact CD2-CB 3.79Å; Y561-M632 HydrophobicContact CD2-CG 4.34Å; Y561-M632 HydrophobicContact CE1-CB 4.29Å; Y561-M632 HydrophobicContact CE1-CE 3.12Å; Y561-M632 HydrophobicContact CE2-CB 3.67Å; Y561-M632 HydrophobicContact CG-CB 4.12Å; Y561-M632 HydrophobicContact CG-CE 4.2Å; Y561-M632 HydrophobicContact CG-CG 4.17Å; Y561-M632 PolarHBondContact OH-O 3.49Å; Y561-F633 HydrophobicContact CD2-CE1 4.44Å; Y561-F633 AromaticContact CD2-CE2 3.83Å; Y561-F633 HydrophobicContact CD2-CE2 3.83Å; Y561-F633 AromaticContact CD2-CZ 3.71Å; Y561-F633 HydrophobicContact CD2-CZ 3.71Å; Y561-F633 HydrophobicContact CE2-CD1 4.32Å; Y561-F633 HydrophobicContact CE2-CD2 4.4Å; Y561-F633 AromaticContact CE2-CE1 3.7Å; Y561-F633 HydrophobicContact CE2-CE1 3.7Å; Y561-F633 AromaticContact CE2-CE2 3.8Å; Y561-F633 HydrophobicContact CE2-CE2 3.8Å; Y561-F633 AromaticContact CE2-CZ 3.41Å; Y561-F633 HydrophobicContact CE2-CZ 3.41Å; Y561-F633 VanDerWaalsContact CE2-CZ 3.41Å; Y561-L703 CarbonylContact O-C 3.49Å; Y561-L703 WeakPolarHBondContact O-CA 3.39Å; Y561-M704 HydrophobicContact CD2-CE 3.8Å; Y561-M704 HydrophobicContact CG-CE 4.18Å; Y561-M704 PolarHBondContact N-O 2.93Å; Y561-M704 PolarHBondContact O-N 2.96Å
562	W	98	Very high	97.3	Very high	26 Å²	26	34.5 Å²	34.5	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.9	-178.3	-163.9	18.4	0	0	0	110.9	E554 P556 I694 A696 R698 W701 A702 L703	E554-W562 HydrophobicContact CB-CB 4.36Å; E554-W562 PolarHBondContact N-O 3.22Å; E554-W562 PolarHBondContact O-N 2.89Å; P556-W562 HydrophobicContact CB-CE3 4.46Å; P556-W562 HydrophobicContact CG-CB 4.03Å; P556-W562 HydrophobicContact CG-CE3 4.09Å; W562-I694 HydrophobicContact CH2-CG2 4.42Å; W562-I694 HydrophobicContact CZ3-CG2 4.47Å; W562-A696 WeakPolarHBondContact CH2-O 3.33Å; W562-R698 HydrophobicContact CH2-CG 3.89Å; W562-R698 HydrophobicContact CZ2-CB 3.87Å; W562-R698 HydrophobicContact CZ2-CG 3.68Å; W562-W701 HydrophobicContact CD2-CE3 4.4Å; W562-W701 HydrophobicContact CG-CE3 4.17Å; W562-W701 VanDerWaalsContact NE1-CB 3.32Å; W562-A702 WeakPolarHBondContact CA-O 3.48Å; W562-L703 HydrophobicContact CB-CD2 3.75Å; W562-L703 VanDerWaalsContact CD1-CD2 3.45Å; W562-L703 HydrophobicContact CD2-CD2 3.98Å; W562-L703 HydrophobicContact CG-CD2 3.46Å; W562-L703 VanDerWaalsContact CG-CD2 3.46Å; W562-L703 HydrophobicContact CG-CG 4.48Å
563	F	97.9	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153	-171.5	59.3	-88.2	0	0	0	113.4	M547 I553 L565 I628 W701 A702 M704	M547-F563 HydrophobicContact CE-CD2 4.47Å; M547-F563 HydrophobicContact SD-CB 3.92Å; M547-F563 HydrophobicContact SD-CD2 4.04Å; M547-F563 HydrophobicContact SD-CG 4.3Å; I553-F563 HydrophobicContact CB-CB 4.46Å; I553-F563 HydrophobicContact CG1-CB 3.96Å; I553-F563 HydrophobicContact CG2-CB 4.34Å; F563-L565 HydrophobicContact CD2-CB 4.43Å; F563-L565 HydrophobicContact CE2-CB 4.26Å; F563-L565 HydrophobicContact CE2-CD1 4.22Å; F563-L565 HydrophobicContact CE2-CD2 4.11Å; F563-L565 HydrophobicContact CE2-CG 4.45Å; F563-I628 HydrophobicContact CD1-CG2 4.06Å; F563-I628 HydrophobicContact CD2-CG2 4.32Å; F563-I628 HydrophobicContact CE1-CG2 3.92Å; F563-I628 HydrophobicContact CE2-CB 4.43Å; F563-I628 HydrophobicContact CE2-CG1 4.34Å; F563-I628 HydrophobicContact CE2-CG2 4.19Å; F563-I628 HydrophobicContact CG-CG2 4.26Å; F563-I628 HydrophobicContact CZ-CB 4.35Å; F563-I628 HydrophobicContact CZ-CG2 3.99Å; F563-W701 VanDerWaalsContact C-CE3 3.42Å; F563-W701 CarbonylContact O-C 3.43Å; F563-W701 VanDerWaalsContact O-CA 3.28Å; F563-W701 WeakPolarHBondContact O-CA 2.99Å; F563-A702 HydrophobicContact CD2-CB 4.42Å; F563-A702 HydrophobicContact CE1-CB 4.25Å; F563-A702 HydrophobicContact CE2-CB 3.97Å; F563-A702 HydrophobicContact CZ-CB 3.87Å; F563-A702 PolarHBondContact N-O 3.18Å; F563-A702 VanDerWaalsContact N-O 3.08Å; F563-A702 PolarHBondContact O-N 3.24Å; F563-M704 HydrophobicContact CE1-CB 3.87Å; F563-M704 HydrophobicContact CE1-CE 4.36Å; F563-M704 HydrophobicContact CE1-SD 4.47Å
564	P	97.7	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.6	176.5	27.8	-32.7	0	0	0	111.1	H541 N543 M547 W701	H541-P564 HydrophobicContact CB-CB 4.11Å; H541-P564 WeakPolarHBondContact CD2-CB 3.45Å; N543-P564 HydrophobicContact CB-CG 4.35Å; M547-P564 HydrophobicContact CB-CG 4.23Å; P564-W701 HydrophobicContact CB-CD2 4.19Å; P564-W701 HydrophobicContact CB-CZ2 4.07Å; P564-W701 HydrophobicContact CG-CH2 4.37Å; P564-W701 HydrophobicContact CG-CZ2 4.19Å
565	L	97.8	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.			trans	-132.8	-60.8	-175.8	-172.2	54.5	0	0	0	112.9	H541 Y544 F563 F620 F624 V625 I671 G700 A702	H541-L565 PolarHBondContact N-O 3.28Å; Y544-L565 HydrophobicContact CD2-CD1 3.85Å; Y544-L565 HydrophobicContact CE2-CD1 3.75Å; F563-L565 HydrophobicContact CD2-CB 4.43Å; F563-L565 HydrophobicContact CE2-CB 4.26Å; F563-L565 HydrophobicContact CE2-CD1 4.22Å; F563-L565 HydrophobicContact CE2-CD2 4.11Å; F563-L565 HydrophobicContact CE2-CG 4.45Å; L565-F620 HydrophobicContact CD1-CE2 3.97Å; L565-F620 HydrophobicContact CD1-CZ 4.19Å; L565-F620 HydrophobicContact CD2-CE1 4.43Å; L565-F620 HydrophobicContact CD2-CE2 4.13Å; L565-F620 HydrophobicContact CD2-CZ 3.49Å; L565-F620 VanDerWaalsContact CD2-CZ 3.49Å; L565-F620 HydrophobicContact CG-CE2 3.9Å; L565-F620 HydrophobicContact CG-CZ 3.74Å; L565-F624 HydrophobicContact CD1-CB 3.83Å; L565-V625 HydrophobicContact CD2-CG2 3.83Å; L565-I671 HydrophobicContact CD2-CD1 3.8Å; L565-I671 HydrophobicContact CD2-CG1 4.33Å; L565-G700 PolarHBondContact N-O 3.45Å; L565-A702 HydrophobicContact CB-CB 4.07Å; L565-A702 HydrophobicContact CD2-CB 3.68Å
566	F	98.4	Very high	97.9	Very high	7 Å²	7	30.1 Å²	30.1	3%	0.031	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-96.9	151.2	174.4	-77.5	-37.7	0	0	0	111.9	W535 I540 H541 A570 W617 F620 I671 G700	W535-F566 HydrophobicContact CH2-CE1 4.14Å; I540-F566 HydrophobicContact CD1-CD1 4.15Å; I540-F566 HydrophobicContact CD1-CE1 4.15Å; H541-F566 PolarHBondContact CD2-O 3.37Å; F566-A570 HydrophobicContact CB-CB 3.88Å; F566-A570 HydrophobicContact CD1-CB 3.69Å; F566-A570 HydrophobicContact CE1-CB 4.4Å; F566-A570 HydrophobicContact CG-CB 3.82Å; F566-W617 AromaticContact CE2-CH2 3.78Å; F566-W617 HydrophobicContact CE2-CH2 3.78Å; F566-W617 AromaticContact CE2-CZ3 3.79Å; F566-W617 HydrophobicContact CE2-CZ3 3.79Å; F566-W617 HydrophobicContact CZ-CH2 4.12Å; F566-W617 AromaticContact CZ-CZ3 3.76Å; F566-W617 HydrophobicContact CZ-CZ3 3.76Å; F566-F620 HydrophobicContact CD1-CE2 4.1Å; F566-F620 HydrophobicContact CD1-CZ 4.43Å; F566-F620 AromaticContact CE1-CD2 3.77Å; F566-F620 HydrophobicContact CE1-CD2 3.77Å; F566-F620 HydrophobicContact CE1-CE1 4.44Å; F566-F620 AromaticContact CE1-CE2 3.27Å; F566-F620 HydrophobicContact CE1-CE2 3.27Å; F566-F620 AromaticContact CE1-CZ 3.64Å; F566-F620 HydrophobicContact CE1-CZ 3.64Å; F566-F620 HydrophobicContact CE2-CE1 4.18Å; F566-F620 HydrophobicContact CE2-CE2 4.27Å; F566-F620 AromaticContact CE2-CZ 3.75Å; F566-F620 HydrophobicContact CE2-CZ 3.75Å; F566-F620 HydrophobicContact CZ-CD1 4.17Å; F566-F620 AromaticContact CZ-CD2 3.88Å; F566-F620 HydrophobicContact CZ-CD2 3.88Å; F566-F620 AromaticContact CZ-CE1 3.68Å; F566-F620 HydrophobicContact CZ-CE1 3.68Å; F566-F620 AromaticContact CZ-CE2 3.37Å; F566-F620 HydrophobicContact CZ-CE2 3.37Å; F566-F620 HydrophobicContact CZ-CG 4.24Å; F566-F620 AromaticContact CZ-CZ 3.22Å; F566-F620 HydrophobicContact CZ-CZ 3.22Å; F566-I671 HydrophobicContact CD2-CD1 4.1Å; F566-I671 HydrophobicContact CD2-CG2 4.05Å; F566-I671 HydrophobicContact CE2-CD1 3.83Å; F566-G700 PolarHBondContact N-O 3.26Å; F566-G700 VanDerWaalsContact O-CA 3.24Å; F566-G700 WeakPolarHBondContact O-CA 3.31Å
567	N	97.9	Very high	98	Very high	31 Å²	31	28.3 Å²	28.3	17%	0.166	15%	0.149	C	C	.	.			trans	-86.9	177.6	165.2	69.5	16.6	0	0	0	110.9	R538 Y539 V569 A570 C571	R538-N567 PolarHBondContact O-ND2 3.23Å; R538-N567 PolarHBondContact O-OD1 3.13Å; Y539-N567 PolarHBondContact O-N 3.39Å; Y539-N567 PolarHBondContact O-OD1 2.95Å; N567-V569 VanDerWaalsContact C-N 3.32Å; N567-V569 PolarHBondContact O-N 3.45Å; N567-V569 WeakPolarHBondContact OD1-CB 3.25Å; N567-V569 PolarHBondContact OD1-N 2.83Å; N567-A570 PolarHBondContact O-N 2.89Å; N567-A570 PolarHBondContact OD1-N 3.24Å; N567-C571 PolarHBondContact O-N 3.36Å; N567-C571 PolarHBondContact O-SG 3.42Å; N567-C571 VanDerWaalsContact O-SG 3.35Å
568	D	97.8	Very high	98.1	Very high	82 Å²	82	28.1 Å²	28.1	44%	0.439	15%	0.148	S	C	.	.	H	α-helix	trans	-62.4	-39.4	-177.1	-74.2	-24.3	0	0	0	112.8	A570 C571 D572 K699	D568-A570 PolarHBondContact O-N 3.04Å; D568-C571 WeakPolarHBondContact O-CB 3.47Å; D568-C571 PolarHBondContact O-N 3.34Å; D568-D572 VanDerWaalsContact O-CG 3.26Å; D568-D572 PolarHBondContact O-N 2.93Å; D568-K699 VanDerWaalsContact OD1-CD 3.25Å; D568-K699 WeakPolarHBondContact OD1-CD 3.49Å; D568-K699 WeakPolarHBondContact OD1-CE 3.43Å; D568-K699 IonicContact OD1-NZ 3.43Å
569	V	97.9	Very high	98.1	Very high	39 Å²	39	27.9 Å²	27.9	24%	0.236	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-46.2	179.1	178.3	0	0	0	0	111.5	Y539 N567 C571 D572 H573	Y539-V569 HydrophobicContact CD1-CG1 4.32Å; Y539-V569 HydrophobicContact CE1-CG1 4.03Å; N567-V569 VanDerWaalsContact C-N 3.32Å; N567-V569 PolarHBondContact O-N 3.45Å; N567-V569 WeakPolarHBondContact OD1-CB 3.25Å; N567-V569 PolarHBondContact OD1-N 2.83Å; V569-C571 VanDerWaalsContact C-N 3.3Å; V569-C571 PolarHBondContact O-N 2.84Å; V569-D572 PolarHBondContact O-N 3.26Å; V569-H573 WeakPolarHBondContact CG1-NE2 3.41Å; V569-H573 VanDerWaalsContact O-CB 3.3Å; V569-H573 WeakPolarHBondContact O-CB 3.41Å; V569-H573 PolarHBondContact O-CD2 2.6Å; V569-H573 VanDerWaalsContact O-CD2 3.23Å; V569-H573 PolarHBondContact O-N 2.83Å
570	A	98.2	Very high	98.1	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-43.2	178.9	0	0	0	0	0	111.6	Y539 F566 N567 D568 L574	Y539-A570 HydrophobicContact CD1-CB 3.68Å; Y539-A570 HydrophobicContact CG-CB 4.18Å; Y539-A570 VanDerWaalsContact O-CB 3.26Å; Y539-A570 WeakPolarHBondContact O-CB 3.38Å; F566-A570 HydrophobicContact CB-CB 3.88Å; F566-A570 HydrophobicContact CD1-CB 3.69Å; F566-A570 HydrophobicContact CE1-CB 4.4Å; F566-A570 HydrophobicContact CG-CB 3.82Å; N567-A570 PolarHBondContact O-N 2.89Å; N567-A570 PolarHBondContact OD1-N 3.24Å; D568-A570 PolarHBondContact O-N 3.04Å; A570-L574 WeakPolarHBondContact O-CB 3.39Å; A570-L574 PolarHBondContact O-N 2.87Å
571	C	98.7	Very high	98.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-48.4	177.1	-68	0	0	0	0	111.7	N567 D568 V569 L574 V575 L673 K699 G700	N567-C571 PolarHBondContact O-N 3.36Å; N567-C571 PolarHBondContact O-SG 3.42Å; N567-C571 VanDerWaalsContact O-SG 3.35Å; D568-C571 WeakPolarHBondContact O-CB 3.47Å; D568-C571 PolarHBondContact O-N 3.34Å; V569-C571 VanDerWaalsContact C-N 3.3Å; V569-C571 PolarHBondContact O-N 2.84Å; C571-L574 PolarHBondContact O-N 3.32Å; C571-V575 WeakPolarHBondContact O-CG2 3.32Å; C571-V575 PolarHBondContact O-N 2.89Å; C571-L673 HydrophobicContact CB-CB 4.48Å; C571-L673 HydrophobicContact CB-CD2 4.47Å; C571-L673 VanDerWaalsContact CB-O 3.32Å; C571-L673 WeakPolarHBondContact CB-O 3.41Å; C571-K699 HydrophobicContact CB-CD 4.33Å; C571-K699 HydrophobicContact CB-CG 4.05Å; C571-G700 VanDerWaalsContact SG-CA 3.52Å
572	D	98.4	Very high	98	Very high	60 Å²	60	33.7 Å²	33.7	32%	0.321	18%	0.176	S	C	.	.	H	α-helix	trans	-65.3	-50	-178.3	-67.1	-32.7	0	0	0	111.2	D568 V569 L574 V575 E576 K699	D568-D572 VanDerWaalsContact O-CG 3.26Å; D568-D572 PolarHBondContact O-N 2.93Å; V569-D572 PolarHBondContact O-N 3.26Å; D572-L574 VanDerWaalsContact C-N 3.28Å; D572-L574 PolarHBondContact O-N 3.36Å; D572-V575 PolarHBondContact O-N 3.08Å; D572-V575 VanDerWaalsContact O-N 3.16Å; D572-E576 WeakPolarHBondContact O-CB 3.3Å; D572-E576 VanDerWaalsContact O-CG 3.32Å; D572-E576 WeakPolarHBondContact O-CG 3.45Å; D572-E576 PolarHBondContact O-N 3.39Å; D572-K699 WeakPolarHBondContact OD1-CE 3.25Å; D572-K699 IonicContact OD1-NZ 3.33Å; D572-K699 PolarHBondContact OD1-NZ 3.05Å; D572-K699 IonicContact OD2-NZ 3.51Å; D572-K699 PolarHBondContact OD2-NZ 2.98Å
573	H	98.4	Very high	97.8	Very high	34 Å²	34	39.3 Å²	39.3	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-38.6	178.3	-74.7	-147.2	0	0	0	111.9	H522 L525 Y539 V569 E577	H522-H573 HydrophobicContact CB-CB 4.07Å; H522-H573 PolarHBondContact CD2-O 3.06Å; H522-H573 VanDerWaalsContact CD2-O 3.26Å; H522-H573 AromaticContact CE1-CD2 3.97Å; H522-H573 AromaticContact CE1-CG 3.93Å; H522-H573 AromaticContact CG-CG 3.64Å; H522-H573 AromaticContact CG-ND1 3.5Å; H522-H573 AromaticContact ND1-CD2 3.84Å; H522-H573 AromaticContact ND1-CE1 3.54Å; H522-H573 AromaticContact ND1-CG 3.51Å; H522-H573 AromaticContact ND1-ND1 3.31Å; H522-H573 PolarHBondContact ND1-ND1 2.92Å; H522-H573 AromaticContact ND1-NE2 3.9Å; L525-H573 HydrophobicContact CD1-CB 4.11Å; L525-H573 HydrophobicContact CD2-CB 4.29Å; L525-H573 HydrophobicContact CG-CB 4.32Å; Y539-H573 AromaticContact CE1-ND1 3.87Å; V569-H573 WeakPolarHBondContact CG1-NE2 3.41Å; V569-H573 VanDerWaalsContact O-CB 3.3Å; V569-H573 WeakPolarHBondContact O-CB 3.41Å; V569-H573 PolarHBondContact O-CD2 2.6Å; V569-H573 VanDerWaalsContact O-CD2 3.23Å; V569-H573 PolarHBondContact O-N 2.83Å; H573-E577 WeakPolarHBondContact O-CB 3.07Å; H573-E577 PolarHBondContact O-N 2.99Å
574	L	98.5	Very high	97.6	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-67.3	-41.9	177.6	-173.9	63.9	0	0	0	111.4	A570 C571 D572 M578 Y613 W617 V647 L673 A726	A570-L574 WeakPolarHBondContact O-CB 3.39Å; A570-L574 PolarHBondContact O-N 2.87Å; C571-L574 PolarHBondContact O-N 3.32Å; D572-L574 VanDerWaalsContact C-N 3.28Å; D572-L574 PolarHBondContact O-N 3.36Å; L574-M578 HydrophobicContact CD1-CE 3.71Å; L574-M578 HydrophobicContact CG-CE 4.48Å; L574-M578 WeakPolarHBondContact O-CG 3.26Å; L574-M578 PolarHBondContact O-N 3.2Å; L574-M578 VanDerWaalsContact O-N 3.14Å; L574-Y613 HydrophobicContact CD1-CE1 4.37Å; L574-W617 HydrophobicContact CD2-CH2 4.41Å; L574-W617 HydrophobicContact CD2-CZ3 4.09Å; L574-V647 HydrophobicContact CD2-CG2 4.19Å; L574-V647 HydrophobicContact CG-CG2 4.29Å; L574-L673 HydrophobicContact CD2-CD1 4Å; L574-L673 HydrophobicContact CD2-CD2 4.03Å; L574-L673 HydrophobicContact CG-CD1 4.45Å; L574-A726 HydrophobicContact CD2-CB 4.33Å
575	V	98.6	Very high	97.2	Very high	20 Å²	20	41.4 Å²	41.4	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-45.8	176.4	170.4	0	0	0	0	111	C571 D572 E577 M578 E579 L673 Y724	C571-V575 WeakPolarHBondContact O-CG2 3.32Å; C571-V575 PolarHBondContact O-N 2.89Å; D572-V575 PolarHBondContact O-N 3.08Å; D572-V575 VanDerWaalsContact O-N 3.16Å; V575-E577 VanDerWaalsContact C-N 3.33Å; V575-E577 PolarHBondContact O-N 2.95Å; V575-M578 PolarHBondContact O-N 2.72Å; V575-E579 PolarHBondContact O-N 3.2Å; V575-L673 HydrophobicContact CG2-CB 3.67Å; V575-L673 HydrophobicContact CG2-CD1 3.94Å; V575-L673 HydrophobicContact CG2-CG 4.46Å; V575-Y724 HydrophobicContact CG1-CD1 4.34Å; V575-Y724 HydrophobicContact CG1-CD2 3.79Å; V575-Y724 HydrophobicContact CG1-CE1 4.25Å; V575-Y724 HydrophobicContact CG1-CE2 3.72Å; V575-Y724 HydrophobicContact CG1-CG 4.12Å; V575-Y724 HydrophobicContact CG2-CD2 4.08Å; V575-Y724 HydrophobicContact CG2-CG 3.93Å
576	E	98.5	Very high	96.5	Very high	94 Å²	94	45.2 Å²	45.2	44%	0.439	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-41.7	178.6	-74.2	173.1	-163.7	0	0	111.6	L521 H522 D572 E579 H580	L521-E576 HydrophobicContact CD2-CB 4.09Å; H522-E576 IonicContact CE1-OE2 3.18Å; H522-E576 PolarHBondContact CE1-OE2 2.91Å; H522-E576 VanDerWaalsContact NE2-CB 3.25Å; H522-E576 WeakPolarHBondContact NE2-CB 3.23Å; H522-E576 IonicContact NE2-OE2 3.74Å; H522-E576 PolarHBondContact NE2-OE2 3.34Å; D572-E576 WeakPolarHBondContact O-CB 3.3Å; D572-E576 VanDerWaalsContact O-CG 3.32Å; D572-E576 WeakPolarHBondContact O-CG 3.45Å; D572-E576 PolarHBondContact O-N 3.39Å; E576-E579 PolarHBondContact O-N 3.1Å; E576-H580 VanDerWaalsContact O-CB 3.22Å; E576-H580 WeakPolarHBondContact O-CB 3.35Å; E576-H580 PolarHBondContact O-N 3.38Å
577	E	98.3	Very high	95.5	Very high	11 Å²	11	46 Å²	46	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-41	176.2	-162.3	74	-143.9	0	0	112.3	H520 L521 H522 L525 W526 H573 V575 H580 F581	H520-E577 WeakPolarHBondContact CB-OE1 3.44Å; H520-E577 IonicContact CG-OE1 3.98Å; H520-E577 IonicContact ND1-OE1 2.91Å; L521-E577 WeakPolarHBondContact CB-OE2 3.39Å; L521-E577 PolarHBondContact N-OE1 2.83Å; L521-E577 VanDerWaalsContact N-OE1 3.14Å; L521-E577 PolarHBondContact N-OE2 2.77Å; H522-E577 IonicContact CD2-OE2 3.26Å; H522-E577 IonicContact CG-OE2 3.64Å; H522-E577 PolarHBondContact N-OE2 3.15Å; L525-E577 HydrophobicContact CD1-CB 4.5Å; W526-E577 HydrophobicContact CH2-CG 3.86Å; W526-E577 HydrophobicContact CZ3-CG 4.2Å; H573-E577 WeakPolarHBondContact O-CB 3.07Å; H573-E577 PolarHBondContact O-N 2.99Å; V575-E577 VanDerWaalsContact C-N 3.33Å; V575-E577 PolarHBondContact O-N 2.95Å; E577-H580 PolarHBondContact O-N 2.65Å; E577-F581 PolarHBondContact O-N 2.96Å
578	M	98.1	Very high	94.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-42.5	178.5	-65.3	-67.9	166.5	0	0	111.5	L574 V575 H580 F581 G582 W584 I606 M608 V611 V647	L574-M578 HydrophobicContact CD1-CE 3.71Å; L574-M578 HydrophobicContact CG-CE 4.48Å; L574-M578 WeakPolarHBondContact O-CG 3.26Å; L574-M578 PolarHBondContact O-N 3.2Å; L574-M578 VanDerWaalsContact O-N 3.14Å; V575-M578 PolarHBondContact O-N 2.72Å; M578-H580 VanDerWaalsContact C-N 3.34Å; M578-F581 PolarHBondContact O-N 3.25Å; M578-G582 PolarHBondContact O-N 2.75Å; M578-W584 HydrophobicContact CB-CH2 4.07Å; M578-W584 HydrophobicContact CB-CZ2 4.05Å; M578-I606 HydrophobicContact CB-CD1 4.12Å; M578-I606 WeakPolarHBondContact O-CD1 3.32Å; M578-I606 HydrophobicContact SD-CB 3.83Å; M578-I606 HydrophobicContact SD-CD1 4.44Å; M578-I606 HydrophobicContact SD-CG2 3.55Å; M578-I606 VanDerWaalsContact SD-CG2 3.55Å; M578-M608 HydrophobicContact CE-CE 4.22Å; M578-M608 HydrophobicContact CE-SD 3.63Å; M578-V611 HydrophobicContact CE-CG2 3.81Å; M578-V611 HydrophobicContact SD-CG1 4.24Å; M578-V611 HydrophobicContact SD-CG2 4.35Å; M578-V647 HydrophobicContact CE-CG2 3.8Å; M578-V647 HydrophobicContact CG-CB 4.01Å; M578-V647 HydrophobicContact CG-CG1 4.29Å; M578-V647 HydrophobicContact CG-CG2 3.93Å; M578-V647 HydrophobicContact SD-CB 4.27Å; M578-V647 HydrophobicContact SD-CG2 4.17Å
579	E	98	Very high	93.6	Very high	65 Å²	65	45.2 Å²	45.2	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-68.2	-33.8	174.6	-73.9	-61.9	163.2	0	0	112.3	V575 E576 G582 W584 R649 Y724	V575-E579 PolarHBondContact O-N 3.2Å; E576-E579 PolarHBondContact O-N 3.1Å; E579-G582 WeakPolarHBondContact O-CA 3.49Å; E579-G582 PolarHBondContact O-N 2.99Å; E579-W584 HydrophobicContact CG-CZ2 4.14Å; E579-W584 WeakPolarHBondContact OE1-CZ2 3.45Å; E579-W584 PolarHBondContact OE1-NE1 2.74Å; E579-W584 PolarHBondContact OE2-NE1 3.13Å; E579-W584 VanDerWaalsContact OE2-NE1 3.16Å; E579-R649 VanDerWaalsContact OE1-CD 3.22Å; E579-R649 WeakPolarHBondContact OE1-CD 3.49Å; E579-R649 IonicContact OE1-CZ 2.64Å; E579-R649 IonicContact OE1-NE 3.75Å; E579-R649 IonicContact OE1-NH1 3.93Å; E579-R649 PolarHBondContact OE1-NH1 3.44Å; E579-R649 IonicContact OE2-NH1 2.99Å; E579-R649 PolarHBondContact OE2-NH1 2.67Å; E579-Y724 HydrophobicContact CG-CE1 4.41Å; E579-Y724 WeakPolarHBondContact OE1-CE1 3.27Å; E579-Y724 PolarHBondContact OE1-OH 2.64Å
580	H	97.7	Very high	92.5	Very high	128 Å²	128	50.9 Å²	50.9	59%	0.593	29%	0.291	S	S	*	.	H	α-helix	trans	-63.5	-40.7	172.7	-175.5	69.9	0	0	0	112.2	L521 E576 E577 M578	L521-H580 HydrophobicContact CD2-CB 3.95Å; E576-H580 VanDerWaalsContact O-CB 3.22Å; E576-H580 WeakPolarHBondContact O-CB 3.35Å; E576-H580 PolarHBondContact O-N 3.38Å; E577-H580 PolarHBondContact O-N 2.65Å; M578-H580 VanDerWaalsContact C-N 3.34Å
581	F	97.1	Very high	91.3	Very high	60 Å²	60	51.3 Å²	51.3	26%	0.263	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-41	173.1	-178.3	-114	0	0	0	112	E577 M578 K583 I606 Q610 V611	E577-F581 PolarHBondContact O-N 2.96Å; M578-F581 PolarHBondContact O-N 3.25Å; F581-K583 HydrophobicContact CD1-CB 4.02Å; F581-K583 HydrophobicContact CE1-CB 3.63Å; F581-K583 HydrophobicContact CE1-CD 4.26Å; F581-K583 HydrophobicContact CE1-CG 4.32Å; F581-K583 HydrophobicContact CE2-CD 4.17Å; F581-K583 HydrophobicContact CZ-CB 4.1Å; F581-K583 HydrophobicContact CZ-CD 3.86Å; F581-K583 HydrophobicContact CZ-CG 4.39Å; F581-K583 PolarHBondContact O-N 3.07Å; F581-I606 HydrophobicContact CD1-CD1 3.94Å; F581-I606 HydrophobicContact CD1-CG1 4.2Å; F581-I606 HydrophobicContact CD1-CG2 3.79Å; F581-I606 HydrophobicContact CE1-CG2 4.05Å; F581-Q610 HydrophobicContact CE1-CB 3.95Å; F581-Q610 HydrophobicContact CZ-CB 4Å; F581-V611 HydrophobicContact CB-CG1 3.9Å; F581-V611 HydrophobicContact CD1-CG1 3.95Å; F581-V611 HydrophobicContact CD2-CG1 4.1Å; F581-V611 HydrophobicContact CE1-CG1 4.46Å; F581-V611 HydrophobicContact CG-CG1 3.73Å
582	G	95.5	Very high	90	Very high	40 Å²	40	58.1 Å²	58.1	41%	0.412	33%	0.334	S	S	.	.			trans	69.4	-8.5	165.8	0	0	0	0	0	116.9	M578 E579 W584	M578-G582 PolarHBondContact O-N 2.75Å; E579-G582 WeakPolarHBondContact O-CA 3.49Å; E579-G582 PolarHBondContact O-N 2.99Å; G582-W584 VanDerWaalsContact C-N 3.28Å; G582-W584 PolarHBondContact O-N 3.2Å; G582-W584 VanDerWaalsContact O-N 3.08Å
583	K	93.9	Very high	88.9	Confident	144 Å²	144	58.6 Å²	58.6	63%	0.626	33%	0.331	S	S	*	.			trans	-88	58.7	-178.4	-60.9	175.7	-175.6	171.6	0	112.4	F581 R593	F581-K583 HydrophobicContact CD1-CB 4.02Å; F581-K583 HydrophobicContact CE1-CB 3.63Å; F581-K583 HydrophobicContact CE1-CD 4.26Å; F581-K583 HydrophobicContact CE1-CG 4.32Å; F581-K583 HydrophobicContact CE2-CD 4.17Å; F581-K583 HydrophobicContact CZ-CB 4.1Å; F581-K583 HydrophobicContact CZ-CD 3.86Å; F581-K583 HydrophobicContact CZ-CG 4.39Å; F581-K583 PolarHBondContact O-N 3.07Å; K583-R593 PolarHBondContact O-NH1 3.32Å
584	W	94.1	Very high	87.6	Confident	34 Å²	34	58 Å²	58	13%	0.129	33%	0.329	C	S	.	.			trans	-59.2	149.7	174.6	-63	93.5	0	0	0	112.2	M578 E579 G582 I604 I606 V647 R649 Y724	M578-W584 HydrophobicContact CB-CH2 4.07Å; M578-W584 HydrophobicContact CB-CZ2 4.05Å; E579-W584 HydrophobicContact CG-CZ2 4.14Å; E579-W584 WeakPolarHBondContact OE1-CZ2 3.45Å; E579-W584 PolarHBondContact OE1-NE1 2.74Å; E579-W584 PolarHBondContact OE2-NE1 3.13Å; E579-W584 VanDerWaalsContact OE2-NE1 3.16Å; G582-W584 VanDerWaalsContact C-N 3.28Å; G582-W584 PolarHBondContact O-N 3.2Å; G582-W584 VanDerWaalsContact O-N 3.08Å; W584-I604 HydrophobicContact CB-CG2 3.94Å; W584-I604 HydrophobicContact CE3-CG2 4.23Å; W584-I606 HydrophobicContact CD2-CD1 3.6Å; W584-I606 HydrophobicContact CD2-CG1 3.96Å; W584-I606 HydrophobicContact CE3-CD1 3.9Å; W584-I606 HydrophobicContact CE3-CG1 3.87Å; W584-I606 HydrophobicContact CG-CD1 4.07Å; W584-I606 HydrophobicContact CG-CG1 4.37Å; W584-I606 HydrophobicContact CH2-CD1 4.12Å; W584-I606 HydrophobicContact CZ2-CD1 3.85Å; W584-I606 HydrophobicContact CZ3-CD1 4.14Å; W584-I606 HydrophobicContact CZ3-CG1 4.24Å; W584-V647 HydrophobicContact CH2-CG1 4.21Å; W584-V647 WeakPolarHBondContact CZ3-O 3.23Å; W584-R649 VanDerWaalsContact CD1-NH1 3.34Å; W584-R649 HydrophobicContact CE3-CB 3.89Å; W584-R649 HydrophobicContact CH2-CB 3.84Å; W584-R649 HydrophobicContact CZ2-CB 4.45Å; W584-R649 HydrophobicContact CZ3-CB 3.52Å; W584-Y724 HydrophobicContact CH2-CD1 4.06Å; W584-Y724 AromaticContact CH2-CE1 3.87Å; W584-Y724 HydrophobicContact CH2-CE1 3.87Å; W584-Y724 AromaticContact CZ2-CE1 3.99Å; W584-Y724 HydrophobicContact CZ2-CE1 3.99Å
585	S	90.2	Very high	86	Confident	11 Å²	11	67.4 Å²	67.4	8%	0.077	37%	0.373	C	S	.	.			trans	-63.9	162.8	174.7	106.4	0	0	0	0	112	G587 T603 I604 D605	S585-G587 VanDerWaalsContact C-N 3.32Å; S585-G587 PolarHBondContact OG-N 2.92Å; S585-T603 PolarHBondContact OG-O 2.87Å; S585-I604 WeakPolarHBondContact OG-CA 3.48Å; S585-D605 WeakPolarHBondContact CB-OD1 3.32Å; S585-D605 PolarHBondContact N-O 3.47Å
586	G	82	Confident	84.5	Confident	79 Å²	79	70.1 Å²	70.1	81%	0.814	41%	0.405	S	S	*	.			trans	-83.1	-0.8	172.4	0	0	0	0	0	114.9	G588	G586-G588 VanDerWaalsContact C-N 3.26Å; G586-G588 PolarHBondContact O-N 3.36Å
587	G	77.4	Confident	83.3	Confident	23 Å²	23	66.9 Å²	66.9	24%	0.237	40%	0.397	C	S	.	.	S	Bend	trans	66.7	21.4	-177.3	0	0	0	0	0	114.8	S585 P602	S585-G587 VanDerWaalsContact C-N 3.32Å; S585-G587 PolarHBondContact OG-N 2.92Å; G587-P602 WeakPolarHBondContact O-CB 3.2Å; G587-P602 WeakPolarHBondContact O-CG 3.49Å
588	G	79.4	Confident	82	Confident	39 Å²	39	72.3 Å²	72.3	40%	0.402	42%	0.418	S	S	.	.	S	Bend	trans	-104.4	156.7	178.3	0	0	0	0	0	112.7	G586 M590 P602	G586-G588 VanDerWaalsContact C-N 3.26Å; G586-G588 PolarHBondContact O-N 3.36Å; G588-M590 PolarHBondContact O-N 2.96Å; G588-P602 VanDerWaalsContact C-CB 3.46Å; G588-P602 VanDerWaalsContact O-CB 3.3Å; G588-P602 WeakPolarHBondContact O-CB 3.37Å
589	N	77.4	Confident	80.8	Confident	58 Å²	58	73 Å²	73	31%	0.31	42%	0.421	S	S	.	.	S	Bend	trans	-65.3	-12.6	-175.8	-64.8	16.7	0	0	0	114.8	Y598 E599 P602	N589-Y598 HydrophobicContact CB-CD2 4.32Å; N589-Y598 HydrophobicContact CB-CE2 3.74Å; N589-Y598 PolarHBondContact ND2-OH 3.44Å; N589-Y598 VanDerWaalsContact ND2-OH 3.1Å; N589-Y598 CarbonylContact O-C 3.5Å; N589-Y598 VanDerWaalsContact O-CA 3.24Å; N589-Y598 WeakPolarHBondContact O-CA 3.29Å; N589-Y598 VanDerWaalsContact O-CD2 3.3Å; N589-Y598 WeakPolarHBondContact O-CD2 3.4Å; N589-E599 WeakPolarHBondContact CA-O 3.37Å; N589-E599 PolarHBondContact O-N 3.31Å; N589-P602 VanDerWaalsContact OD1-CD 3.22Å; N589-P602 WeakPolarHBondContact OD1-CD 3.4Å; N589-P602 VanDerWaalsContact OD1-CG 3.24Å; N589-P602 WeakPolarHBondContact OD1-CG 3.24Å
590	M	73.5	Confident	79.5	Confident	159 Å²	159	75.5 Å²	75.5	78%	0.783	44%	0.436	S	S	*	.	B	Isolated β-bridge	trans	-107.2	117.5	175.4	-78.5	-166.5	164.4	0	0	109.5	G588 G597 Y598	G588-M590 PolarHBondContact O-N 2.96Å; M590-G597 WeakPolarHBondContact CA-O 3.29Å; M590-Y598 HydrophobicContact CG-CD2 4.29Å
591	D	72.6	Confident	78.7	Confident	11 Å²	11	70.7 Å²	70.7	6%	0.059	42%	0.416	C	S	.	.			trans	-133.7	108.3	178.2	-167.9	-24.2	0	0	0	110.1	R593 I594 G597	D591-R593 PolarHBondContact O-N 2.8Å; D591-R593 WeakPolarHBondContact OD1-CA 3.43Å; D591-R593 WeakPolarHBondContact OD1-CB 3.39Å; D591-R593 WeakPolarHBondContact OD1-CG 3.38Å; D591-R593 IonicContact OD1-CZ 3.86Å; D591-R593 PolarHBondContact OD1-N 2.83Å; D591-R593 IonicContact OD1-NE 2.92Å; D591-R593 PolarHBondContact OD1-NE 3.19Å; D591-R593 IonicContact OD1-NH2 3.91Å; D591-R593 IonicContact OD2-CZ 3.9Å; D591-R593 VanDerWaalsContact OD2-CZ 3.26Å; D591-R593 IonicContact OD2-NE 2.79Å; D591-R593 PolarHBondContact OD2-NE 2.58Å; D591-R593 VanDerWaalsContact OD2-NE 3.08Å; D591-R593 IonicContact OD2-NH2 3.96Å; D591-R593 PolarHBondContact OD2-NH2 2.97Å; D591-I594 HydrophobicContact CB-CD1 4.23Å; D591-I594 HydrophobicContact CB-CG1 4.04Å; D591-I594 VanDerWaalsContact O-CG1 3.27Å; D591-I594 WeakPolarHBondContact O-CG1 3.38Å; D591-I594 PolarHBondContact O-N 2.83Å; D591-G597 PolarHBondContact N-O 2.88Å; D591-G597 VanDerWaalsContact N-O 3.13Å; D591-G597 CarbonylContact O-C 3.58Å; D591-G597 VanDerWaalsContact O-CA 3.26Å; D591-G597 WeakPolarHBondContact O-CA 3.46Å
592	T	72.5	Confident	78.1	Confident	143 Å²	143	68.4 Å²	68.4	88%	0.877	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-5	-179.1	54.8	0	0	0	0	113.5
593	R	75.5	Confident	77.8	Confident	70 Å²	70	66.7 Å²	66.7	26%	0.264	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-14.7	-178.8	-49.2	168.8	-53.8	140.6	22.8	111.6	K583 D591 D605	K583-R593 PolarHBondContact O-NH1 3.32Å; D591-R593 PolarHBondContact O-N 2.8Å; D591-R593 WeakPolarHBondContact OD1-CA 3.43Å; D591-R593 WeakPolarHBondContact OD1-CB 3.39Å; D591-R593 WeakPolarHBondContact OD1-CG 3.38Å; D591-R593 IonicContact OD1-CZ 3.86Å; D591-R593 PolarHBondContact OD1-N 2.83Å; D591-R593 IonicContact OD1-NE 2.92Å; D591-R593 PolarHBondContact OD1-NE 3.19Å; D591-R593 IonicContact OD1-NH2 3.91Å; D591-R593 IonicContact OD2-CZ 3.9Å; D591-R593 VanDerWaalsContact OD2-CZ 3.26Å; D591-R593 IonicContact OD2-NE 2.79Å; D591-R593 PolarHBondContact OD2-NE 2.58Å; D591-R593 VanDerWaalsContact OD2-NE 3.08Å; D591-R593 IonicContact OD2-NH2 3.96Å; D591-R593 PolarHBondContact OD2-NH2 2.97Å; R593-D605 PolarHBondContact NH1-O 2.78Å; R593-D605 IonicContact NH2-OD1 3.08Å; R593-D605 PolarHBondContact NH2-OD1 2.73Å
594	I	71.1	Confident	77.7	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.108	36%	0.363	C	S	.	.	S	Bend	trans	-108.6	152.3	177.9	64.2	172.2	0	0	0	112.3	D591 G596 G597 E599 H607	D591-I594 HydrophobicContact CB-CD1 4.23Å; D591-I594 HydrophobicContact CB-CG1 4.04Å; D591-I594 VanDerWaalsContact O-CG1 3.27Å; D591-I594 WeakPolarHBondContact O-CG1 3.38Å; D591-I594 PolarHBondContact O-N 2.83Å; I594-G596 PolarHBondContact O-N 2.89Å; I594-G597 PolarHBondContact O-N 2.99Å; I594-E599 HydrophobicContact CD1-CB 4.07Å; I594-H607 WeakPolarHBondContact CG2-NE2 3.48Å
595	Q	65.4	Low	77.7	Confident	205 Å²	205	59.1 Å²	59.1	96%	0.958	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	119.4	179.2	-171.7	173.9	-8	0	0	110.5
596	G	67.1	Low	78	Confident	77 Å²	77	58.6 Å²	58.6	79%	0.794	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-12.1	-178	0	0	0	0	0	115	I594 Y598	I594-G596 PolarHBondContact O-N 2.89Å; G596-Y598 PolarHBondContact O-N 2.8Å; G596-Y598 VanDerWaalsContact O-N 3.16Å
597	G	71.6	Confident	78.6	Confident	26 Å²	26	55 Å²	55	27%	0.268	32%	0.316	S	S	.	.	S	Bend	trans	73.6	1.4	166.1	0	0	0	0	0	116.7	M590 D591 I594	M590-G597 WeakPolarHBondContact CA-O 3.29Å; D591-G597 PolarHBondContact N-O 2.88Å; D591-G597 VanDerWaalsContact N-O 3.13Å; D591-G597 CarbonylContact O-C 3.58Å; D591-G597 VanDerWaalsContact O-CA 3.26Å; D591-G597 WeakPolarHBondContact O-CA 3.46Å; I594-G597 PolarHBondContact O-N 2.99Å
598	Y	71.6	Confident	79.5	Confident	124 Å²	124	54 Å²	54	49%	0.486	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-137.7	126.3	-174.3	-166.6	-91.3	0	0	0	112.2	N589 M590 G596 N600	N589-Y598 HydrophobicContact CB-CD2 4.32Å; N589-Y598 HydrophobicContact CB-CE2 3.74Å; N589-Y598 PolarHBondContact ND2-OH 3.44Å; N589-Y598 VanDerWaalsContact ND2-OH 3.1Å; N589-Y598 CarbonylContact O-C 3.5Å; N589-Y598 VanDerWaalsContact O-CA 3.24Å; N589-Y598 WeakPolarHBondContact O-CA 3.29Å; N589-Y598 VanDerWaalsContact O-CD2 3.3Å; N589-Y598 WeakPolarHBondContact O-CD2 3.4Å; M590-Y598 HydrophobicContact CG-CD2 4.29Å; G596-Y598 PolarHBondContact O-N 2.8Å; G596-Y598 VanDerWaalsContact O-N 3.16Å; Y598-N600 WeakPolarHBondContact CE1-OD1 3.23Å
599	E	73.3	Confident	80.2	Confident	15 Å²	15	55.4 Å²	55.4	7%	0.07	30%	0.303	C	S	.	.			trans	-110.7	121.7	176.7	-165.8	172.8	-164.3	0	0	110.2	N589 I594 V601 P602	N589-E599 WeakPolarHBondContact CA-O 3.37Å; N589-E599 PolarHBondContact O-N 3.31Å; I594-E599 HydrophobicContact CD1-CB 4.07Å; E599-V601 PolarHBondContact O-N 3.37Å; E599-P602 HydrophobicContact CB-CB 4.41Å; E599-P602 HydrophobicContact CG-CB 4.5Å; E599-P602 VanDerWaalsContact OE2-CA 3.24Å; E599-P602 WeakPolarHBondContact OE2-CA 3.5Å
600	N	71.1	Confident	81	Confident	118 Å²	118	54.6 Å²	54.6	63%	0.631	30%	0.297	S	S	*	.	S	Bend	trans	-65.7	-29.7	-176.4	-69.2	-33	0	0	0	112.2	Y598 R659	Y598-N600 WeakPolarHBondContact CE1-OD1 3.23Å; N600-R659 PolarHBondContact O-NH2 2.96Å
601	V	80.3	Confident	82	Confident	28 Å²	28	47.5 Å²	47.5	17%	0.17	26%	0.263	C	S	.	.	S	Bend	trans	-142.9	84.4	-176.7	-167.8	0	0	0	0	107.8	E599 L658 R659 H661	E599-V601 PolarHBondContact O-N 3.37Å; V601-L658 HydrophobicContact CG1-CD1 3.63Å; V601-L658 HydrophobicContact CG1-CG 4.1Å; V601-R659 HydrophobicContact CG1-CG 3.95Å; V601-H661 HydrophobicContact CB-CB 4.41Å; V601-H661 HydrophobicContact CG1-CB 4.18Å; V601-H661 HydrophobicContact CG2-CB 3.68Å
602	P	85.1	Confident	83.1	Confident	12 Å²	12	52.9 Å²	52.9	8%	0.078	29%	0.292	C	S	.	.			trans	-71.6	143.7	-167.7	31.3	-39.2	0	0	0	113.5	G587 G588 N589 E599 Q655	G587-P602 WeakPolarHBondContact O-CB 3.2Å; G587-P602 WeakPolarHBondContact O-CG 3.49Å; G588-P602 VanDerWaalsContact C-CB 3.46Å; G588-P602 VanDerWaalsContact O-CB 3.3Å; G588-P602 WeakPolarHBondContact O-CB 3.37Å; N589-P602 VanDerWaalsContact OD1-CD 3.22Å; N589-P602 WeakPolarHBondContact OD1-CD 3.4Å; N589-P602 VanDerWaalsContact OD1-CG 3.24Å; N589-P602 WeakPolarHBondContact OD1-CG 3.24Å; E599-P602 HydrophobicContact CB-CB 4.41Å; E599-P602 HydrophobicContact CG-CB 4.5Å; E599-P602 VanDerWaalsContact OE2-CA 3.24Å; E599-P602 WeakPolarHBondContact OE2-CA 3.5Å; P602-Q655 PolarHBondContact O-NE2 2.89Å
603	T	87.9	Confident	84.3	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.025	25%	0.251	C	S	.	.			trans	-121.4	153	171.6	39.2	0	0	0	0	112	S585 D605 V648 Q655 L658	S585-T603 PolarHBondContact OG-O 2.87Å; T603-D605 WeakPolarHBondContact CB-OD2 3.4Å; T603-D605 VanDerWaalsContact O-CG 3.31Å; T603-D605 PolarHBondContact O-N 2.87Å; T603-D605 PolarHBondContact OG1-OD2 3.44Å; T603-V648 HydrophobicContact CG2-CG1 3.95Å; T603-V648 HydrophobicContact CG2-CG2 4.32Å; T603-Q655 VanDerWaalsContact CA-OE1 3.23Å; T603-L658 HydrophobicContact CG2-CD1 3.59Å; T603-L658 HydrophobicContact CG2-CD2 3.79Å; T603-L658 HydrophobicContact CG2-CG 4.31Å
604	I	92.8	Very high	85.3	Confident	18 Å²	18	47.1 Å²	47.1	9%	0.092	26%	0.258	C	S	.	.	S	Bend	trans	-77.1	103	166.3	-65.8	177.4	0	0	0	108.2	W584 S585 R649 E654 Q655	W584-I604 HydrophobicContact CB-CG2 3.94Å; W584-I604 HydrophobicContact CE3-CG2 4.23Å; S585-I604 WeakPolarHBondContact OG-CA 3.48Å; I604-R649 PolarHBondContact O-N 2.95Å; I604-E654 HydrophobicContact CD1-CB 3.64Å; I604-Q655 HydrophobicContact CD1-CB 3.73Å; I604-Q655 HydrophobicContact CG1-CB 4.06Å
605	D	94.1	Very high	86.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	169.1	-167.9	54.7	38.8	0	0	0	114.6	S585 R593 T603 H607 F646 V647 V648	S585-D605 WeakPolarHBondContact CB-OD1 3.32Å; S585-D605 PolarHBondContact N-O 3.47Å; R593-D605 PolarHBondContact NH1-O 2.78Å; R593-D605 IonicContact NH2-OD1 3.08Å; R593-D605 PolarHBondContact NH2-OD1 2.73Å; T603-D605 WeakPolarHBondContact CB-OD2 3.4Å; T603-D605 VanDerWaalsContact O-CG 3.31Å; T603-D605 PolarHBondContact O-N 2.87Å; T603-D605 PolarHBondContact OG1-OD2 3.44Å; D605-H607 IonicContact OD1-CD2 2.88Å; D605-H607 IonicContact OD1-NE2 2.58Å; D605-F646 HydrophobicContact CB-CB 4.32Å; D605-F646 HydrophobicContact CB-CD2 3.93Å; D605-V647 WeakPolarHBondContact CA-O 3.29Å; D605-V647 VanDerWaalsContact CB-O 3.25Å; D605-V647 WeakPolarHBondContact CB-O 3.36Å; D605-V648 HydrophobicContact CB-CG2 4.33Å
606	I	95.8	Very high	88.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.1	168.2	-64.5	163.7	0	0	0	107.8	M578 F581 W584 Q610 V611 F646 V647	M578-I606 HydrophobicContact CB-CD1 4.12Å; M578-I606 WeakPolarHBondContact O-CD1 3.32Å; M578-I606 HydrophobicContact SD-CB 3.83Å; M578-I606 HydrophobicContact SD-CD1 4.44Å; M578-I606 HydrophobicContact SD-CG2 3.55Å; M578-I606 VanDerWaalsContact SD-CG2 3.55Å; F581-I606 HydrophobicContact CD1-CD1 3.94Å; F581-I606 HydrophobicContact CD1-CG1 4.2Å; F581-I606 HydrophobicContact CD1-CG2 3.79Å; F581-I606 HydrophobicContact CE1-CG2 4.05Å; W584-I606 HydrophobicContact CD2-CD1 3.6Å; W584-I606 HydrophobicContact CD2-CG1 3.96Å; W584-I606 HydrophobicContact CE3-CD1 3.9Å; W584-I606 HydrophobicContact CE3-CG1 3.87Å; W584-I606 HydrophobicContact CG-CD1 4.07Å; W584-I606 HydrophobicContact CG-CG1 4.37Å; W584-I606 HydrophobicContact CH2-CD1 4.12Å; W584-I606 HydrophobicContact CZ2-CD1 3.85Å; W584-I606 HydrophobicContact CZ3-CD1 4.14Å; W584-I606 HydrophobicContact CZ3-CG1 4.24Å; I606-Q610 HydrophobicContact CG2-CB 4.34Å; I606-V611 HydrophobicContact CG2-CG1 3.96Å; I606-F646 CarbonylContact O-C 3.58Å; I606-F646 WeakPolarHBondContact O-CA 3.42Å; I606-F646 WeakPolarHBondContact O-CB 3.39Å; I606-V647 PolarHBondContact N-O 2.94Å; I606-V647 PolarHBondContact O-N 3.17Å
607	H	94.9	Very high	89.5	Confident	5 Å²	5	41.1 Å²	41.1	2%	0.023	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	146.9	176.4	-67.7	-109.8	0	0	0	111.6	I594 D605 N609 Q610 A645 F646	I594-H607 WeakPolarHBondContact CG2-NE2 3.48Å; D605-H607 IonicContact OD1-CD2 2.88Å; D605-H607 IonicContact OD1-NE2 2.58Å; H607-N609 WeakPolarHBondContact CB-OD1 3.38Å; H607-N609 PolarHBondContact O-N 3.05Å; H607-N609 VanDerWaalsContact O-N 3.16Å; H607-Q610 HydrophobicContact CB-CG 4.15Å; H607-Q610 WeakPolarHBondContact O-CB 3.47Å; H607-Q610 PolarHBondContact O-N 2.82Å; H607-A645 WeakPolarHBondContact CA-O 3.38Å; H607-F646 HydrophobicContact CB-CB 4.4Å; H607-F646 AromaticContact CE1-CD1 3.81Å
608	M	96.3	Very high	90.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.6	-178.7	-61.9	-58.9	172.4	0	0	112.5	M578 Q610 V611 N612 Y613 E614 W617 A645 V647	M578-M608 HydrophobicContact CE-CE 4.22Å; M578-M608 HydrophobicContact CE-SD 3.63Å; M608-Q610 VanDerWaalsContact C-N 3.34Å; M608-Q610 PolarHBondContact O-N 2.89Å; M608-V611 WeakPolarHBondContact O-CG2 3.12Å; M608-V611 PolarHBondContact O-N 3.1Å; M608-N612 PolarHBondContact O-N 2.99Å; M608-Y613 PolarHBondContact O-N 3.3Å; M608-Y613 HydrophobicContact SD-CD1 3.98Å; M608-E614 PolarHBondContact O-N 3.26Å; M608-W617 HydrophobicContact CE-CD2 3.97Å; M608-W617 HydrophobicContact CE-CE3 3.93Å; M608-W617 HydrophobicContact CE-CH2 4.03Å; M608-W617 HydrophobicContact CE-CZ2 4.1Å; M608-W617 HydrophobicContact CE-CZ3 3.96Å; M608-W617 HydrophobicContact CG-CB 4.24Å; M608-W617 HydrophobicContact CG-CD2 4.27Å; M608-W617 HydrophobicContact CG-CG 4Å; M608-W617 HydrophobicContact SD-CD2 4.35Å; M608-W617 HydrophobicContact SD-CE3 4.31Å; M608-A645 HydrophobicContact CG-CB 3.85Å; M608-A645 WeakPolarHBondContact CG-O 3.36Å; M608-A645 PolarHBondContact N-O 3.08Å; M608-V647 HydrophobicContact CE-CG2 3.72Å
609	N	93.9	Very high	92.1	Very high	70 Å²	70	38.9 Å²	38.9	37%	0.374	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.8	176.4	66.7	-8.5	0	0	0	113.1	H607 V611 N612 E614	H607-N609 WeakPolarHBondContact CB-OD1 3.38Å; H607-N609 PolarHBondContact O-N 3.05Å; H607-N609 VanDerWaalsContact O-N 3.16Å; N609-V611 PolarHBondContact O-N 3.44Å; N609-N612 PolarHBondContact O-N 3.27Å; N609-N612 VanDerWaalsContact O-N 3.1Å; N609-E614 HydrophobicContact CB-CB 4.27Å; N609-E614 WeakPolarHBondContact CB-OE2 3.28Å
610	Q	94.2	Very high	93.3	Very high	40 Å²	40	38.2 Å²	38.2	19%	0.187	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-27	-179.7	-61.5	179.2	-92.8	0	0	112.2	F581 I606 H607 M608	F581-Q610 HydrophobicContact CE1-CB 3.95Å; F581-Q610 HydrophobicContact CZ-CB 4Å; I606-Q610 HydrophobicContact CG2-CB 4.34Å; H607-Q610 HydrophobicContact CB-CG 4.15Å; H607-Q610 WeakPolarHBondContact O-CB 3.47Å; H607-Q610 PolarHBondContact O-N 2.82Å; M608-Q610 VanDerWaalsContact C-N 3.34Å; M608-Q610 PolarHBondContact O-N 2.89Å
611	V	95.7	Very high	94.6	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.067	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.3	174.1	-63.2	0	0	0	0	112.4	W526 M578 F581 I606 M608 N609 Y613	W526-V611 WeakPolarHBondContact CZ2-O 3.42Å; M578-V611 HydrophobicContact CE-CG2 3.81Å; M578-V611 HydrophobicContact SD-CG1 4.24Å; M578-V611 HydrophobicContact SD-CG2 4.35Å; F581-V611 HydrophobicContact CB-CG1 3.9Å; F581-V611 HydrophobicContact CD1-CG1 3.95Å; F581-V611 HydrophobicContact CD2-CG1 4.1Å; F581-V611 HydrophobicContact CE1-CG1 4.46Å; F581-V611 HydrophobicContact CG-CG1 3.73Å; I606-V611 HydrophobicContact CG2-CG1 3.96Å; M608-V611 WeakPolarHBondContact O-CG2 3.12Å; M608-V611 PolarHBondContact O-N 3.1Å; N609-V611 PolarHBondContact O-N 3.44Å; V611-Y613 VanDerWaalsContact C-N 3.32Å; V611-Y613 PolarHBondContact O-N 3.03Å
612	N	95.4	Very high	95.4	Very high	123 Å²	123	34.8 Å²	34.8	66%	0.658	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	37.6	-177.1	-57.1	-52.7	0	0	0	114.4	W526 M608 N609	W526-N612 PolarHBondContact NE1-O 2.89Å; M608-N612 PolarHBondContact O-N 2.99Å; N609-N612 PolarHBondContact O-N 3.27Å; N609-N612 VanDerWaalsContact O-N 3.1Å
613	Y	97.3	Very high	96	Very high	5 Å²	5	38 Å²	38	2%	0.02	18%	0.184	C	C	.	.			trans	-111.6	6.3	-180	-159.9	-126.5	0	0	0	113.7	L525 W526 L574 M608 V611 K615 E616 W617	L525-Y613 HydrophobicContact CB-CE2 3.96Å; L525-Y613 WeakPolarHBondContact O-CE2 3.3Å; L525-Y613 PolarHBondContact O-OH 3.01Å; L525-Y613 VanDerWaalsContact O-OH 3.1Å; W526-Y613 AromaticContact CD2-CD2 3.79Å; W526-Y613 HydrophobicContact CD2-CD2 3.79Å; W526-Y613 HydrophobicContact CD2-CE2 4.04Å; W526-Y613 AromaticContact CE2-CD2 3.38Å; W526-Y613 HydrophobicContact CE3-CD2 4.35Å; W526-Y613 HydrophobicContact CE3-CE2 4.36Å; W526-Y613 HydrophobicContact CG-CD2 4.18Å; W526-Y613 HydrophobicContact CG-CE2 4.31Å; W526-Y613 HydrophobicContact CH2-CD2 4.19Å; W526-Y613 AromaticContact CZ2-CD2 3.6Å; W526-Y613 HydrophobicContact CZ2-CD2 3.6Å; W526-Y613 HydrophobicContact CZ2-CE2 4.46Å; W526-Y613 HydrophobicContact CZ2-CG 4.02Å; W526-Y613 AromaticContact NE1-CD2 3.58Å; L574-Y613 HydrophobicContact CD1-CE1 4.37Å; M608-Y613 PolarHBondContact O-N 3.3Å; M608-Y613 HydrophobicContact SD-CD1 3.98Å; V611-Y613 VanDerWaalsContact C-N 3.32Å; V611-Y613 PolarHBondContact O-N 3.03Å; Y613-K615 PolarHBondContact O-N 3.13Å; Y613-E616 HydrophobicContact CD2-CB 3.5Å; Y613-E616 HydrophobicContact CD2-CG 3.87Å; Y613-E616 HydrophobicContact CE2-CB 3.37Å; Y613-E616 HydrophobicContact CE2-CG 3.82Å; Y613-E616 HydrophobicContact CG-CB 4.22Å; Y613-E616 PolarHBondContact O-N 3.22Å; Y613-W617 HydrophobicContact CD1-CB 4.41Å; Y613-W617 HydrophobicContact CD1-CE3 4.22Å; Y613-W617 AromaticContact CE1-CE3 3.91Å; Y613-W617 HydrophobicContact CE1-CE3 3.91Å; Y613-W617 WeakPolarHBondContact O-CB 3.2Å; Y613-W617 PolarHBondContact O-N 2.99Å
614	E	96.3	Very high	96.5	Very high	87 Å²	87	38.2 Å²	38.2	41%	0.407	19%	0.185	S	C	.	.	H	α-helix	trans	-60.5	-41.5	-174.9	-169.8	-172.2	163.7	0	0	113.1	M608 N609 Q618 F642	M608-E614 PolarHBondContact O-N 3.26Å; N609-E614 HydrophobicContact CB-CB 4.27Å; N609-E614 WeakPolarHBondContact CB-OE2 3.28Å; E614-Q618 WeakPolarHBondContact O-CB 3.48Å; E614-Q618 PolarHBondContact O-N 3.21Å; E614-F642 HydrophobicContact CG-CE2 3.74Å; E614-F642 HydrophobicContact CG-CZ 3.52Å
615	K	96.9	Very high	96.7	Very high	149 Å²	149	37.4 Å²	37.4	65%	0.648	18%	0.181	S	C	*	.	H	α-helix	trans	-71.5	-43.1	-177.7	-69.2	177.7	-178.9	173.1	0	111.5	F529 Y613 W617 Q618 K619	F529-K615 HydrophobicContact CE2-CB 4.25Å; F529-K615 HydrophobicContact CZ-CB 4.33Å; F529-K615 WeakPolarHBondContact CZ-O 3.42Å; Y613-K615 PolarHBondContact O-N 3.13Å; K615-W617 VanDerWaalsContact C-N 3.33Å; K615-Q618 PolarHBondContact O-N 2.76Å; K615-K619 PolarHBondContact O-N 3.03Å
616	E	97.8	Very high	96.9	Very high	28 Å²	28	37.7 Å²	37.7	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-44.5	176.2	-67.6	68.1	-154.9	0	0	109.9	W526 I528 F529 Y613 K619 F620	W526-E616 HydrophobicContact CB-CG 4.47Å; W526-E616 VanDerWaalsContact CD1-CD 3.47Å; W526-E616 HydrophobicContact CG-CG 4.28Å; I528-E616 HydrophobicContact CG2-CB 3.85Å; I528-E616 HydrophobicContact CG2-CG 3.93Å; F529-E616 HydrophobicContact CD2-CG 4.24Å; F529-E616 HydrophobicContact CE2-CB 4.45Å; F529-E616 HydrophobicContact CE2-CG 4.01Å; Y613-E616 HydrophobicContact CD2-CB 3.5Å; Y613-E616 HydrophobicContact CD2-CG 3.87Å; Y613-E616 HydrophobicContact CE2-CB 3.37Å; Y613-E616 HydrophobicContact CE2-CG 3.82Å; Y613-E616 HydrophobicContact CG-CB 4.22Å; Y613-E616 PolarHBondContact O-N 3.22Å; E616-K619 PolarHBondContact O-N 3.43Å; E616-F620 WeakPolarHBondContact O-CB 3.46Å; E616-F620 PolarHBondContact O-N 2.97Å
617	W	98.3	Very high	97	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-43.7	174.8	-167.3	-101.6	0	0	0	112.4	F566 L574 M608 Y613 K615 K619 F620 L621 F642 A645 I671 A726 S728	F566-W617 AromaticContact CE2-CH2 3.78Å; F566-W617 HydrophobicContact CE2-CH2 3.78Å; F566-W617 AromaticContact CE2-CZ3 3.79Å; F566-W617 HydrophobicContact CE2-CZ3 3.79Å; F566-W617 HydrophobicContact CZ-CH2 4.12Å; F566-W617 AromaticContact CZ-CZ3 3.76Å; F566-W617 HydrophobicContact CZ-CZ3 3.76Å; L574-W617 HydrophobicContact CD2-CH2 4.41Å; L574-W617 HydrophobicContact CD2-CZ3 4.09Å; M608-W617 HydrophobicContact CE-CD2 3.97Å; M608-W617 HydrophobicContact CE-CE3 3.93Å; M608-W617 HydrophobicContact CE-CH2 4.03Å; M608-W617 HydrophobicContact CE-CZ2 4.1Å; M608-W617 HydrophobicContact CE-CZ3 3.96Å; M608-W617 HydrophobicContact CG-CB 4.24Å; M608-W617 HydrophobicContact CG-CD2 4.27Å; M608-W617 HydrophobicContact CG-CG 4Å; M608-W617 HydrophobicContact SD-CD2 4.35Å; M608-W617 HydrophobicContact SD-CE3 4.31Å; Y613-W617 HydrophobicContact CD1-CB 4.41Å; Y613-W617 HydrophobicContact CD1-CE3 4.22Å; Y613-W617 AromaticContact CE1-CE3 3.91Å; Y613-W617 HydrophobicContact CE1-CE3 3.91Å; Y613-W617 WeakPolarHBondContact O-CB 3.2Å; Y613-W617 PolarHBondContact O-N 2.99Å; K615-W617 VanDerWaalsContact C-N 3.33Å; W617-K619 VanDerWaalsContact C-N 3.34Å; W617-K619 PolarHBondContact O-N 3.32Å; W617-F620 AromaticContact CD2-CD1 3.97Å; W617-F620 HydrophobicContact CD2-CD1 3.97Å; W617-F620 HydrophobicContact CD2-CE1 4.42Å; W617-F620 AromaticContact CE3-CD1 3.94Å; W617-F620 HydrophobicContact CE3-CD1 3.94Å; W617-F620 HydrophobicContact CE3-CE1 4.32Å; W617-F620 HydrophobicContact CH2-CD1 4.25Å; W617-F620 AromaticContact CH2-CE1 3.8Å; W617-F620 HydrophobicContact CH2-CE1 3.8Å; W617-F620 HydrophobicContact CZ2-CD1 4.25Å; W617-F620 AromaticContact CZ2-CE1 3.86Å; W617-F620 HydrophobicContact CZ2-CE1 3.86Å; W617-F620 HydrophobicContact CZ3-CD1 4.09Å; W617-F620 HydrophobicContact CZ3-CE1 4.03Å; W617-F620 WeakPolarHBondContact O-CB 3.45Å; W617-F620 PolarHBondContact O-N 3.26Å; W617-F620 VanDerWaalsContact O-N 3.17Å; W617-L621 WeakPolarHBondContact O-CG 3.2Å; W617-L621 PolarHBondContact O-N 2.84Å; W617-F642 AromaticContact CD1-CE1 3.95Å; W617-A645 HydrophobicContact CG-CB 4.47Å; W617-I671 HydrophobicContact CH2-CD1 3.99Å; W617-I671 HydrophobicContact CZ2-CD1 4.24Å; W617-A726 HydrophobicContact CH2-CB 3.78Å; W617-A726 HydrophobicContact CZ2-CB 4.13Å; W617-S728 PolarHBondContact NE1-OG 3.1Å
618	Q	98	Very high	97.1	Very high	71 Å²	71	40.7 Å²	40.7	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-44.4	175.1	-169.6	177.4	29.5	0	0	111.8	E614 K615 F620 L621 L622 F642	E614-Q618 WeakPolarHBondContact O-CB 3.48Å; E614-Q618 PolarHBondContact O-N 3.21Å; K615-Q618 PolarHBondContact O-N 2.76Å; Q618-F620 VanDerWaalsContact C-N 3.31Å; Q618-F620 PolarHBondContact O-N 3.02Å; Q618-L621 PolarHBondContact O-N 2.73Å; Q618-L622 HydrophobicContact CG-CD1 4.32Å; Q618-L622 WeakPolarHBondContact O-CB 3.44Å; Q618-L622 WeakPolarHBondContact O-CG 3.33Å; Q618-L622 PolarHBondContact O-N 3.31Å; Q618-F642 HydrophobicContact CB-CE1 3.73Å; Q618-F642 HydrophobicContact CB-CZ 4.48Å; Q618-F642 HydrophobicContact CG-CE1 4.18Å
619	K	98.1	Very high	97.1	Very high	32 Å²	32	40.7 Å²	40.7	14%	0.139	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-42.1	175.4	179.8	168.6	178.7	-173.9	0	111.2	I528 F529 K615 E616 W617 L622 E623	I528-K619 HydrophobicContact CD1-CB 4.21Å; I528-K619 HydrophobicContact CD1-CD 4.33Å; I528-K619 HydrophobicContact CD1-CG 3.9Å; I528-K619 HydrophobicContact CG1-CD 4Å; I528-K619 HydrophobicContact CG1-CG 4.13Å; I528-K619 HydrophobicContact CG2-CD 4.22Å; I528-K619 WeakPolarHBondContact O-CE 3.28Å; I528-K619 PolarHBondContact O-NZ 3.3Å; F529-K619 HydrophobicContact CD1-CD 3.44Å; F529-K619 VanDerWaalsContact CD1-CD 3.44Å; F529-K619 HydrophobicContact CD2-CD 4.38Å; F529-K619 HydrophobicContact CE1-CB 4.02Å; F529-K619 HydrophobicContact CE1-CD 3.31Å; F529-K619 HydrophobicContact CE1-CG 4.2Å; F529-K619 HydrophobicContact CE2-CB 4.29Å; F529-K619 HydrophobicContact CE2-CD 4.27Å; F529-K619 HydrophobicContact CG-CD 3.99Å; F529-K619 HydrophobicContact CZ-CB 3.67Å; F529-K619 HydrophobicContact CZ-CD 3.74Å; F529-K619 HydrophobicContact CZ-CG 4.31Å; K615-K619 PolarHBondContact O-N 3.03Å; E616-K619 PolarHBondContact O-N 3.43Å; W617-K619 VanDerWaalsContact C-N 3.34Å; W617-K619 PolarHBondContact O-N 3.32Å; K619-L622 PolarHBondContact O-N 3.05Å; K619-E623 WeakPolarHBondContact CE-OE1 3.38Å; K619-E623 HydrophobicContact CG-CG 4.28Å; K619-E623 IonicContact NZ-OE1 3.99Å; K619-E623 WeakPolarHBondContact O-CB 3.21Å; K619-E623 PolarHBondContact O-N 3.05Å
620	F	98.4	Very high	97.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-47.4	174.4	155.6	-103.5	0	0	0	112	I528 W535 I540 L565 F566 E616 W617 Q618 L622 E623 F624 V625 I671	I528-F620 HydrophobicContact CD1-CB 3.9Å; W535-F620 HydrophobicContact CH2-CB 4.26Å; W535-F620 AromaticContact CH2-CD2 3.93Å; W535-F620 HydrophobicContact CH2-CD2 3.93Å; W535-F620 HydrophobicContact CH2-CG 4.42Å; W535-F620 HydrophobicContact CZ3-CD2 4.41Å; I540-F620 HydrophobicContact CD1-CD2 4.14Å; I540-F620 HydrophobicContact CD1-CE2 3.94Å; L565-F620 HydrophobicContact CD1-CE2 3.97Å; L565-F620 HydrophobicContact CD1-CZ 4.19Å; L565-F620 HydrophobicContact CD2-CE1 4.43Å; L565-F620 HydrophobicContact CD2-CE2 4.13Å; L565-F620 HydrophobicContact CD2-CZ 3.49Å; L565-F620 VanDerWaalsContact CD2-CZ 3.49Å; L565-F620 HydrophobicContact CG-CE2 3.9Å; L565-F620 HydrophobicContact CG-CZ 3.74Å; F566-F620 HydrophobicContact CD1-CE2 4.1Å; F566-F620 HydrophobicContact CD1-CZ 4.43Å; F566-F620 AromaticContact CE1-CD2 3.77Å; F566-F620 HydrophobicContact CE1-CD2 3.77Å; F566-F620 HydrophobicContact CE1-CE1 4.44Å; F566-F620 AromaticContact CE1-CE2 3.27Å; F566-F620 HydrophobicContact CE1-CE2 3.27Å; F566-F620 AromaticContact CE1-CZ 3.64Å; F566-F620 HydrophobicContact CE1-CZ 3.64Å; F566-F620 HydrophobicContact CE2-CE1 4.18Å; F566-F620 HydrophobicContact CE2-CE2 4.27Å; F566-F620 AromaticContact CE2-CZ 3.75Å; F566-F620 HydrophobicContact CE2-CZ 3.75Å; F566-F620 HydrophobicContact CZ-CD1 4.17Å; F566-F620 AromaticContact CZ-CD2 3.88Å; F566-F620 HydrophobicContact CZ-CD2 3.88Å; F566-F620 AromaticContact CZ-CE1 3.68Å; F566-F620 HydrophobicContact CZ-CE1 3.68Å; F566-F620 AromaticContact CZ-CE2 3.37Å; F566-F620 HydrophobicContact CZ-CE2 3.37Å; F566-F620 HydrophobicContact CZ-CG 4.24Å; F566-F620 AromaticContact CZ-CZ 3.22Å; F566-F620 HydrophobicContact CZ-CZ 3.22Å; E616-F620 WeakPolarHBondContact O-CB 3.46Å; E616-F620 PolarHBondContact O-N 2.97Å; W617-F620 AromaticContact CD2-CD1 3.97Å; W617-F620 HydrophobicContact CD2-CD1 3.97Å; W617-F620 HydrophobicContact CD2-CE1 4.42Å; W617-F620 AromaticContact CE3-CD1 3.94Å; W617-F620 HydrophobicContact CE3-CD1 3.94Å; W617-F620 HydrophobicContact CE3-CE1 4.32Å; W617-F620 HydrophobicContact CH2-CD1 4.25Å; W617-F620 AromaticContact CH2-CE1 3.8Å; W617-F620 HydrophobicContact CH2-CE1 3.8Å; W617-F620 HydrophobicContact CZ2-CD1 4.25Å; W617-F620 AromaticContact CZ2-CE1 3.86Å; W617-F620 HydrophobicContact CZ2-CE1 3.86Å; W617-F620 HydrophobicContact CZ3-CD1 4.09Å; W617-F620 HydrophobicContact CZ3-CE1 4.03Å; W617-F620 WeakPolarHBondContact O-CB 3.45Å; W617-F620 PolarHBondContact O-N 3.26Å; W617-F620 VanDerWaalsContact O-N 3.17Å; Q618-F620 VanDerWaalsContact C-N 3.31Å; Q618-F620 PolarHBondContact O-N 3.02Å; F620-L622 VanDerWaalsContact C-N 3.35Å; F620-L622 PolarHBondContact O-N 3.03Å; F620-E623 PolarHBondContact O-N 3.05Å; F620-F624 HydrophobicContact CD2-CB 4.12Å; F620-F624 AromaticContact CD2-CD2 3.73Å; F620-F624 HydrophobicContact CD2-CD2 3.73Å; F620-F624 HydrophobicContact CD2-CG 4.27Å; F620-F624 HydrophobicContact CE2-CB 4.09Å; F620-F624 HydrophobicContact CE2-CD2 4.41Å; F620-F624 WeakPolarHBondContact O-CB 3.34Å; F620-F624 WeakPolarHBondContact O-CD2 3.34Å; F620-F624 PolarHBondContact O-N 2.78Å; F620-V625 HydrophobicContact CE1-CG2 4.44Å; F620-V625 HydrophobicContact CZ-CG2 4.41Å; F620-I671 HydrophobicContact CE1-CD1 4.1Å; F620-I671 HydrophobicContact CZ-CD1 3.98Å
621	L	98.4	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-61.9	-43.1	177.2	-64.9	176	0	0	0	111.4	W617 Q618 V625 A626 A640 F642 V730	W617-L621 WeakPolarHBondContact O-CG 3.2Å; W617-L621 PolarHBondContact O-N 2.84Å; Q618-L621 PolarHBondContact O-N 2.73Å; L621-V625 HydrophobicContact CB-CB 4.49Å; L621-V625 HydrophobicContact CD2-CB 4.15Å; L621-V625 HydrophobicContact CD2-CG2 3.72Å; L621-V625 CarbonylContact O-C 3.58Å; L621-V625 WeakPolarHBondContact O-CA 3.35Å; L621-V625 VanDerWaalsContact O-CB 3.31Å; L621-V625 WeakPolarHBondContact O-CB 3.37Å; L621-V625 PolarHBondContact O-N 3.16Å; L621-A626 PolarHBondContact O-N 2.97Å; L621-A640 HydrophobicContact CB-CB 3.72Å; L621-F642 HydrophobicContact CD1-CD1 3.64Å; L621-F642 HydrophobicContact CD1-CE1 4.03Å; L621-F642 HydrophobicContact CD1-CG 4.47Å; L621-V730 HydrophobicContact CD1-CG2 4.23Å
622	L	98	Very high	97.3	Very high	74 Å²	74	46.2 Å²	46.2	39%	0.387	22%	0.224	S	C	.	.	I	π-helix	trans	-62.6	-43.6	177.6	-80.9	171.1	0	0	0	113.2	Q618 K619 F620 K639 A640	Q618-L622 HydrophobicContact CG-CD1 4.32Å; Q618-L622 WeakPolarHBondContact O-CB 3.44Å; Q618-L622 WeakPolarHBondContact O-CG 3.33Å; Q618-L622 PolarHBondContact O-N 3.31Å; K619-L622 PolarHBondContact O-N 3.05Å; F620-L622 VanDerWaalsContact C-N 3.35Å; F620-L622 PolarHBondContact O-N 3.03Å; L622-K639 VanDerWaalsContact CD2-C 3.45Å; L622-K639 WeakPolarHBondContact CD2-O 3.42Å; L622-A640 HydrophobicContact CD2-CB 3.97Å; L622-A640 HydrophobicContact CG-CB 4.06Å
623	E	97.4	Very high	97.3	Very high	81 Å²	81	42.6 Å²	42.6	38%	0.379	20%	0.203	S	C	.	.	I	π-helix	trans	-83.5	-32.3	-174.9	-70.5	-171.5	170.4	0	0	113	K619 F620	K619-E623 WeakPolarHBondContact CE-OE1 3.38Å; K619-E623 HydrophobicContact CG-CG 4.28Å; K619-E623 IonicContact NZ-OE1 3.99Å; K619-E623 WeakPolarHBondContact O-CB 3.21Å; K619-E623 PolarHBondContact O-N 3.05Å; F620-E623 PolarHBondContact O-N 3.05Å
624	F	98.1	Very high	97.2	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.031	24%	0.237	C	C	.	.	I	π-helix	trans	-118	-23.6	-169.5	-58	-76.6	0	0	0	115.3	I528 W535 Q536 I540 Y544 L565 F620	I528-F624 HydrophobicContact CD1-CE2 4.38Å; W535-F624 HydrophobicContact CE3-CE2 4.26Å; W535-F624 HydrophobicContact CZ3-CD2 4.26Å; W535-F624 AromaticContact CZ3-CE2 3.69Å; W535-F624 HydrophobicContact CZ3-CE2 3.69Å; W535-F624 HydrophobicContact CZ3-CZ 4.33Å; Q536-F624 HydrophobicContact CB-CZ 4.08Å; Q536-F624 HydrophobicContact CG-CE1 3.83Å; Q536-F624 HydrophobicContact CG-CZ 3.89Å; I540-F624 HydrophobicContact CB-CE1 4.49Å; I540-F624 HydrophobicContact CD1-CB 4.4Å; I540-F624 HydrophobicContact CD1-CD1 3.89Å; I540-F624 HydrophobicContact CD1-CD2 3.88Å; I540-F624 HydrophobicContact CD1-CE1 4.15Å; I540-F624 HydrophobicContact CD1-CE2 4.12Å; I540-F624 HydrophobicContact CD1-CG 3.77Å; I540-F624 HydrophobicContact CD1-CZ 4.25Å; I540-F624 HydrophobicContact CG1-CD1 3.93Å; I540-F624 HydrophobicContact CG1-CD2 4.34Å; I540-F624 HydrophobicContact CG1-CE1 3.7Å; I540-F624 HydrophobicContact CG1-CE2 4.11Å; I540-F624 HydrophobicContact CG1-CG 4.26Å; I540-F624 HydrophobicContact CG1-CZ 3.79Å; I540-F624 HydrophobicContact CG2-CD1 4.23Å; I540-F624 HydrophobicContact CG2-CE1 4.3Å; Y544-F624 HydrophobicContact CD1-CD1 4.17Å; Y544-F624 AromaticContact CE1-CD1 3.66Å; Y544-F624 HydrophobicContact CE1-CD1 3.66Å; Y544-F624 HydrophobicContact CE1-CE1 4.3Å; Y544-F624 HydrophobicContact CE2-CB 3.99Å; Y544-F624 HydrophobicContact CE2-CD1 4.16Å; Y544-F624 VanDerWaalsContact CE2-O 3.27Å; Y544-F624 WeakPolarHBondContact CE2-O 3.44Å; Y544-F624 AromaticContact CZ-CD1 3.69Å; Y544-F624 VanDerWaalsContact OH-CA 3.26Å; Y544-F624 WeakPolarHBondContact OH-CA 3.37Å; Y544-F624 PolarHBondContact OH-O 2.92Å; L565-F624 HydrophobicContact CD1-CB 3.83Å; F620-F624 HydrophobicContact CD2-CB 4.12Å; F620-F624 AromaticContact CD2-CD2 3.73Å; F620-F624 HydrophobicContact CD2-CD2 3.73Å; F620-F624 HydrophobicContact CD2-CG 4.27Å; F620-F624 HydrophobicContact CE2-CB 4.09Å; F620-F624 HydrophobicContact CE2-CD2 4.41Å; F620-F624 WeakPolarHBondContact O-CB 3.34Å; F620-F624 WeakPolarHBondContact O-CD2 3.34Å; F620-F624 PolarHBondContact O-N 2.78Å
625	V	98.2	Very high	97.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.25	C	C	.	.	I	π-helix	trans	-99.6	-51	179.4	173.5	0	0	0	0	111.1	L565 F620 L621 P627 I628 T629 F667 I669	L565-V625 HydrophobicContact CD2-CG2 3.83Å; F620-V625 HydrophobicContact CE1-CG2 4.44Å; F620-V625 HydrophobicContact CZ-CG2 4.41Å; L621-V625 HydrophobicContact CB-CB 4.49Å; L621-V625 HydrophobicContact CD2-CB 4.15Å; L621-V625 HydrophobicContact CD2-CG2 3.72Å; L621-V625 CarbonylContact O-C 3.58Å; L621-V625 WeakPolarHBondContact O-CA 3.35Å; L621-V625 VanDerWaalsContact O-CB 3.31Å; L621-V625 WeakPolarHBondContact O-CB 3.37Å; L621-V625 PolarHBondContact O-N 3.16Å; V625-P627 VanDerWaalsContact C-CD 3.48Å; V625-I628 WeakPolarHBondContact O-CA 3.35Å; V625-I628 WeakPolarHBondContact O-CB 3.44Å; V625-I628 PolarHBondContact O-N 2.99Å; V625-T629 PolarHBondContact O-N 2.93Å; V625-T629 PolarHBondContact O-OG1 3.46Å; V625-F667 HydrophobicContact CG1-CE2 4.11Å; V625-I669 HydrophobicContact CG1-CD1 3.5Å; V625-I669 VanDerWaalsContact CG1-CD1 3.5Å; V625-I669 HydrophobicContact CG1-CG1 3.62Å
626	A	97.9	Very high	97.3	Very high	7 Å²	7	42.7 Å²	42.7	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-51.5	-45.5	-176.2	0	0	0	0	0	113.4	L621 I628 T629 E630 T638	L621-A626 PolarHBondContact O-N 2.97Å; A626-I628 PolarHBondContact O-N 3.2Å; A626-T629 PolarHBondContact O-N 3.16Å; A626-T629 VanDerWaalsContact O-N 3.17Å; A626-E630 WeakPolarHBondContact O-CG 3.33Å; A626-E630 PolarHBondContact O-N 2.94Å; A626-T638 HydrophobicContact CB-CG2 3.53Å
627	P	96.9	Very high	97.2	Very high	63 Å²	63	49.9 Å²	49.9	41%	0.409	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-31	178.3	-23.9	35.7	0	0	0	113.6	V625 K631	V625-P627 VanDerWaalsContact C-CD 3.48Å; P627-K631 VanDerWaalsContact O-CB 3.27Å; P627-K631 WeakPolarHBondContact O-CB 3.32Å; P627-K631 PolarHBondContact O-N 3.44Å
628	I	96.8	Very high	97.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-76.6	-44.3	176.9	-53.6	-54.5	0	0	0	109.9	Y544 M547 I548 I553 F563 V625 A626 E630 K631 M632 M704	Y544-I628 HydrophobicContact CE2-CG1 4.33Å; M547-I628 HydrophobicContact CE-CD1 3.37Å; M547-I628 HydrophobicContact CE-CG1 3.83Å; M547-I628 HydrophobicContact SD-CD1 3.87Å; M547-I628 HydrophobicContact SD-CG1 4.37Å; I548-I628 HydrophobicContact CD1-CD1 4.16Å; I548-I628 HydrophobicContact CG1-CD1 4.49Å; I553-I628 HydrophobicContact CD1-CG2 4.14Å; F563-I628 HydrophobicContact CD1-CG2 4.06Å; F563-I628 HydrophobicContact CD2-CG2 4.32Å; F563-I628 HydrophobicContact CE1-CG2 3.92Å; F563-I628 HydrophobicContact CE2-CB 4.43Å; F563-I628 HydrophobicContact CE2-CG1 4.34Å; F563-I628 HydrophobicContact CE2-CG2 4.19Å; F563-I628 HydrophobicContact CG-CG2 4.26Å; F563-I628 HydrophobicContact CZ-CB 4.35Å; F563-I628 HydrophobicContact CZ-CG2 3.99Å; V625-I628 WeakPolarHBondContact O-CA 3.35Å; V625-I628 WeakPolarHBondContact O-CB 3.44Å; V625-I628 PolarHBondContact O-N 2.99Å; A626-I628 PolarHBondContact O-N 3.2Å; I628-E630 PolarHBondContact O-N 3.17Å; I628-K631 WeakPolarHBondContact O-CB 3.38Å; I628-K631 PolarHBondContact O-N 3.35Å; I628-M632 HydrophobicContact CG2-CG 4.11Å; I628-M632 VanDerWaalsContact O-CG 3.31Å; I628-M632 WeakPolarHBondContact O-CG 3.39Å; I628-M632 PolarHBondContact O-N 3.19Å; I628-M704 HydrophobicContact CG2-CE 4.38Å
629	T	97.1	Very high	97	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-55.9	-52.3	175.9	-50.9	0	0	0	0	111.7	V625 A626 K631 M632 F633 Y636 F667 M704	V625-T629 PolarHBondContact O-N 2.93Å; V625-T629 PolarHBondContact O-OG1 3.46Å; A626-T629 PolarHBondContact O-N 3.16Å; A626-T629 VanDerWaalsContact O-N 3.17Å; T629-K631 PolarHBondContact O-N 2.97Å; T629-M632 PolarHBondContact O-N 2.69Å; T629-F633 HydrophobicContact CG2-CD2 4.16Å; T629-F633 PolarHBondContact O-N 3.09Å; T629-Y636 HydrophobicContact CG2-CD1 3.9Å; T629-Y636 HydrophobicContact CG2-CE1 4.1Å; T629-F667 HydrophobicContact CG2-CD1 4.16Å; T629-F667 HydrophobicContact CG2-CD2 4.23Å; T629-F667 HydrophobicContact CG2-CE1 3.9Å; T629-F667 HydrophobicContact CG2-CE2 3.97Å; T629-F667 HydrophobicContact CG2-CG 4.31Å; T629-F667 HydrophobicContact CG2-CZ 3.78Å; T629-F667 WeakPolarHBondContact OG1-CE2 3.4Å; T629-M704 HydrophobicContact CG2-SD 3.92Å; T629-M704 PolarHBondContact OG1-SD 3.31Å
630	E	97.1	Very high	96.9	Very high	68 Å²	68	53.1 Å²	53.1	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-29	-179.4	-63.1	-170.6	172.3	0	0	112.4	A626 I628 Y636 Y637 T638	A626-E630 WeakPolarHBondContact O-CG 3.33Å; A626-E630 PolarHBondContact O-N 2.94Å; I628-E630 PolarHBondContact O-N 3.17Å; E630-Y636 WeakPolarHBondContact CG-O 3.44Å; E630-Y637 WeakPolarHBondContact OE1-CA 3.38Å; E630-T638 HydrophobicContact CG-CG2 4.28Å; E630-T638 PolarHBondContact OE1-N 3.22Å
631	K	95.1	Very high	96.7	Very high	125 Å²	125	58.7 Å²	58.7	54%	0.543	30%	0.298	S	S	.	.	H	α-helix	trans	-73.8	-42.2	176.1	-175.9	61.6	175.3	-178.8	0	112.4	I548 P627 I628 T629	I548-K631 HydrophobicContact CD1-CG 4.32Å; P627-K631 VanDerWaalsContact O-CB 3.27Å; P627-K631 WeakPolarHBondContact O-CB 3.32Å; P627-K631 PolarHBondContact O-N 3.44Å; I628-K631 WeakPolarHBondContact O-CB 3.38Å; I628-K631 PolarHBondContact O-N 3.35Å; T629-K631 PolarHBondContact O-N 2.97Å
632	M	94.9	Very high	96.5	Very high	44 Å²	44	59.7 Å²	59.7	22%	0.217	30%	0.303	C	S	.	.	H	α-helix	trans	-82.9	-23	-176.1	-61.6	-42.3	-64.2	0	0	112.9	I553 Y561 I628 T629 P634 M704	I553-M632 HydrophobicContact CD1-SD 3.87Å; I553-M632 HydrophobicContact CG2-CE 4.1Å; I553-M632 HydrophobicContact CG2-SD 4.25Å; Y561-M632 HydrophobicContact CD1-CB 4.38Å; Y561-M632 HydrophobicContact CD1-CE 3.39Å; Y561-M632 HydrophobicContact CD1-CG 4.28Å; Y561-M632 HydrophobicContact CD2-CB 3.79Å; Y561-M632 HydrophobicContact CD2-CG 4.34Å; Y561-M632 HydrophobicContact CE1-CB 4.29Å; Y561-M632 HydrophobicContact CE1-CE 3.12Å; Y561-M632 HydrophobicContact CE2-CB 3.67Å; Y561-M632 HydrophobicContact CG-CB 4.12Å; Y561-M632 HydrophobicContact CG-CE 4.2Å; Y561-M632 HydrophobicContact CG-CG 4.17Å; Y561-M632 PolarHBondContact OH-O 3.49Å; I628-M632 HydrophobicContact CG2-CG 4.11Å; I628-M632 VanDerWaalsContact O-CG 3.31Å; I628-M632 WeakPolarHBondContact O-CG 3.39Å; I628-M632 PolarHBondContact O-N 3.19Å; T629-M632 PolarHBondContact O-N 2.69Å; M632-P634 VanDerWaalsContact C-CD 3.49Å; M632-P634 WeakPolarHBondContact O-CD 3.28Å; M632-M704 HydrophobicContact CB-CE 3.76Å; M632-M704 HydrophobicContact CG-CE 3.94Å
633	F	95.9	Very high	95.9	Very high	46 Å²	46	62.2 Å²	62.2	20%	0.202	32%	0.317	C	S	.	.	S	Bend	trans	-120.2	75.3	172.6	-61.4	-74	0	0	0	110.8	Y561 T629 G635 Y636 M704	Y561-F633 HydrophobicContact CD2-CE1 4.44Å; Y561-F633 AromaticContact CD2-CE2 3.83Å; Y561-F633 HydrophobicContact CD2-CE2 3.83Å; Y561-F633 AromaticContact CD2-CZ 3.71Å; Y561-F633 HydrophobicContact CD2-CZ 3.71Å; Y561-F633 HydrophobicContact CE2-CD1 4.32Å; Y561-F633 HydrophobicContact CE2-CD2 4.4Å; Y561-F633 AromaticContact CE2-CE1 3.7Å; Y561-F633 HydrophobicContact CE2-CE1 3.7Å; Y561-F633 AromaticContact CE2-CE2 3.8Å; Y561-F633 HydrophobicContact CE2-CE2 3.8Å; Y561-F633 AromaticContact CE2-CZ 3.41Å; Y561-F633 HydrophobicContact CE2-CZ 3.41Å; Y561-F633 VanDerWaalsContact CE2-CZ 3.41Å; T629-F633 HydrophobicContact CG2-CD2 4.16Å; T629-F633 PolarHBondContact O-N 3.09Å; F633-G635 PolarHBondContact O-N 3.02Å; F633-Y636 VanDerWaalsContact O-CB 3.31Å; F633-Y636 WeakPolarHBondContact O-CB 3.46Å; F633-Y636 PolarHBondContact O-N 3Å; F633-M704 HydrophobicContact CD2-CE 4.26Å; F633-M704 HydrophobicContact CE2-CE 3.88Å; F633-M704 HydrophobicContact CE2-CG 4.33Å; F633-M704 HydrophobicContact CE2-SD 4.3Å
634	P	96.1	Very high	95.4	Very high	114 Å²	114	60.4 Å²	60.4	74%	0.74	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	128	-178.9	-25.2	34.3	0	0	0	112.5	M632	M632-P634 VanDerWaalsContact C-CD 3.49Å; M632-P634 WeakPolarHBondContact O-CD 3.28Å
635	G	96.3	Very high	95.2	Very high	65 Å²	65	60.3 Å²	60.3	67%	0.67	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-9.9	-176.4	0	0	0	0	0	114	F633	F633-G635 PolarHBondContact O-N 3.02Å
636	Y	97.4	Very high	95.1	Very high	64 Å²	64	60.5 Å²	60.5	25%	0.251	31%	0.311	S	S	.	.			trans	-89.5	138.4	165.9	-169.3	-108.1	0	0	0	110.3	T629 E630 F633 T638 T666 F667 D731	T629-Y636 HydrophobicContact CG2-CD1 3.9Å; T629-Y636 HydrophobicContact CG2-CE1 4.1Å; E630-Y636 WeakPolarHBondContact CG-O 3.44Å; F633-Y636 VanDerWaalsContact O-CB 3.31Å; F633-Y636 WeakPolarHBondContact O-CB 3.46Å; F633-Y636 PolarHBondContact O-N 3Å; Y636-T638 HydrophobicContact CE1-CG2 4.48Å; Y636-T666 HydrophobicContact CE2-CG2 3.8Å; Y636-T666 WeakPolarHBondContact OH-CG2 3.35Å; Y636-F667 AromaticContact CE1-CD1 3.89Å; Y636-F667 HydrophobicContact CE1-CD1 3.89Å; Y636-F667 AromaticContact CE1-CE1 3.78Å; Y636-F667 HydrophobicContact CE1-CE1 3.78Å; Y636-D731 VanDerWaalsContact OH-CB 3.28Å; Y636-D731 WeakPolarHBondContact OH-CB 3.31Å; Y636-D731 PolarHBondContact OH-OD2 2.79Å
637	Y	96.7	Very high	95.1	Very high	179 Å²	179	60.2 Å²	60.2	70%	0.702	31%	0.308	S	S	*	.			trans	-131.9	135.3	176.4	-63.2	-80.3	0	0	0	108.6	E630	E630-Y637 WeakPolarHBondContact OE1-CA 3.38Å
638	T	96.6	Very high	95.1	Very high	14 Å²	14	57.2 Å²	57.2	9%	0.086	29%	0.289	C	S	.	.			trans	-129.7	144.8	-172.2	179.9	0	0	0	0	111.8	A626 E630 Y636 A640 D731	A626-T638 HydrophobicContact CB-CG2 3.53Å; E630-T638 HydrophobicContact CG-CG2 4.28Å; E630-T638 PolarHBondContact OE1-N 3.22Å; Y636-T638 HydrophobicContact CE1-CG2 4.48Å; T638-A640 WeakPolarHBondContact OG1-CA 3.24Å; T638-A640 PolarHBondContact OG1-N 3.19Å; T638-D731 WeakPolarHBondContact CB-OD2 3.09Å; T638-D731 VanDerWaalsContact OG1-CG 3.29Å; T638-D731 PolarHBondContact OG1-OD1 3.43Å; T638-D731 PolarHBondContact OG1-OD2 2.92Å
639	K	95.9	Very high	95.1	Very high	157 Å²	157	58 Å²	58	68%	0.683	29%	0.291	S	S	*	.			trans	-102	13.7	166.9	-66.4	-176.4	179.9	177.3	0	111.6	L622 Q641	L622-K639 VanDerWaalsContact CD2-C 3.45Å; L622-K639 WeakPolarHBondContact CD2-O 3.42Å; K639-Q641 HydrophobicContact CB-CG 4.25Å; K639-Q641 PolarHBondContact O-N 2.87Å; K639-Q641 VanDerWaalsContact O-N 3.13Å
640	A	95.7	Very high	95.1	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	29%	0.292	C	S	.	.			trans	42.5	46.1	-176.3	0	0	0	0	0	112.9	L621 L622 T638 V730	L621-A640 HydrophobicContact CB-CB 3.72Å; L622-A640 HydrophobicContact CD2-CB 3.97Å; L622-A640 HydrophobicContact CG-CB 4.06Å; T638-A640 WeakPolarHBondContact OG1-CA 3.24Å; T638-A640 PolarHBondContact OG1-N 3.19Å; A640-V730 HydrophobicContact CB-CG1 4.19Å
641	Q	94.8	Very high	95	Very high	118 Å²	118	56.7 Å²	56.7	55%	0.551	28%	0.284	S	S	*	.			trans	-74.4	142.6	174.6	-68	-171.6	-43.6	0	0	108.3	K639 V730 D731	K639-Q641 HydrophobicContact CB-CG 4.25Å; K639-Q641 PolarHBondContact O-N 2.87Å; K639-Q641 VanDerWaalsContact O-N 3.13Å; Q641-V730 CarbonylContact O-C 3.53Å; Q641-V730 WeakPolarHBondContact O-CA 3.38Å; Q641-V730 WeakPolarHBondContact O-CG1 3.3Å; Q641-D731 PolarHBondContact N-OD1 3.23Å; Q641-D731 PolarHBondContact O-N 3.25Å
642	F	93.5	Very high	95	Very high	21 Å²	21	53.6 Å²	53.6	9%	0.092	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.4	175	66.6	-94.3	0	0	0	109.5	E614 W617 Q618 L621 A645 F729	E614-F642 HydrophobicContact CG-CE2 3.74Å; E614-F642 HydrophobicContact CG-CZ 3.52Å; W617-F642 AromaticContact CD1-CE1 3.95Å; Q618-F642 HydrophobicContact CB-CE1 3.73Å; Q618-F642 HydrophobicContact CB-CZ 4.48Å; Q618-F642 HydrophobicContact CG-CE1 4.18Å; L621-F642 HydrophobicContact CD1-CD1 3.64Å; L621-F642 HydrophobicContact CD1-CE1 4.03Å; L621-F642 HydrophobicContact CD1-CG 4.47Å; F642-A645 HydrophobicContact CD2-CB 3.6Å; F642-A645 HydrophobicContact CE2-CB 3.48Å; F642-A645 VanDerWaalsContact CE2-CB 3.48Å; F642-A645 HydrophobicContact CG-CB 4.24Å; F642-A645 HydrophobicContact CZ-CB 4.01Å; F642-F729 WeakPolarHBondContact CA-O 3.3Å; F642-F729 VanDerWaalsContact CB-O 3.26Å; F642-F729 WeakPolarHBondContact CB-O 3.24Å
643	D	85	Confident	94.9	Very high	127 Å²	127	57.8 Å²	57.8	68%	0.679	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	-31.4	168.2	-68.2	-19	0	0	0	110.3	P732	D643-P732 HydrophobicContact CB-CG 4.17Å; D643-P732 WeakPolarHBondContact OD2-CG 3.46Å
644	L	86.4	Confident	94.7	Very high	43 Å²	43	59 Å²	59	23%	0.225	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	115.8	-176.4	-56	175.2	0	0	0	110.9	F646 F729	L644-F646 HydrophobicContact CB-CD1 3.98Å; L644-F646 HydrophobicContact CB-CE1 3.77Å; L644-F729 HydrophobicContact CB-CB 4.48Å; L644-F729 HydrophobicContact CB-CD2 4.14Å; L644-F729 HydrophobicContact CD1-CD2 3.99Å; L644-F729 HydrophobicContact CD1-CE2 4.33Å; L644-F729 PolarHBondContact O-N 3.16Å
645	A	95	Very high	94.6	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.033	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.1	164.2	0	0	0	0	0	108.9	H607 M608 W617 F642 V727	H607-A645 WeakPolarHBondContact CA-O 3.38Å; M608-A645 HydrophobicContact CG-CB 3.85Å; M608-A645 WeakPolarHBondContact CG-O 3.36Å; M608-A645 PolarHBondContact N-O 3.08Å; W617-A645 HydrophobicContact CG-CB 4.47Å; F642-A645 HydrophobicContact CD2-CB 3.6Å; F642-A645 HydrophobicContact CE2-CB 3.48Å; F642-A645 VanDerWaalsContact CE2-CB 3.48Å; F642-A645 HydrophobicContact CG-CB 4.24Å; F642-A645 HydrophobicContact CZ-CB 4.01Å; A645-V727 WeakPolarHBondContact CA-O 3.45Å
646	F	96.3	Very high	94.5	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	156.5	-168.3	50.5	-85.9	0	0	0	111.5	D605 I606 H607 L644 V648 V727 F729	D605-F646 HydrophobicContact CB-CB 4.32Å; D605-F646 HydrophobicContact CB-CD2 3.93Å; I606-F646 CarbonylContact O-C 3.58Å; I606-F646 WeakPolarHBondContact O-CA 3.42Å; I606-F646 WeakPolarHBondContact O-CB 3.39Å; H607-F646 HydrophobicContact CB-CB 4.4Å; H607-F646 AromaticContact CE1-CD1 3.81Å; L644-F646 HydrophobicContact CB-CD1 3.98Å; L644-F646 HydrophobicContact CB-CE1 3.77Å; F646-V648 HydrophobicContact CD2-CG2 3.47Å; F646-V648 VanDerWaalsContact CD2-CG2 3.47Å; F646-V648 HydrophobicContact CE2-CG2 3.44Å; F646-V648 VanDerWaalsContact CE2-CG2 3.44Å; F646-V727 HydrophobicContact CD2-CB 4.44Å; F646-V727 HydrophobicContact CE2-CB 4.01Å; F646-V727 HydrophobicContact CE2-CG1 4.45Å; F646-V727 HydrophobicContact CZ-CB 4.1Å; F646-V727 HydrophobicContact CZ-CG1 4.1Å; F646-V727 PolarHBondContact N-O 2.98Å; F646-V727 PolarHBondContact O-N 2.85Å; F646-F729 HydrophobicContact CE1-CD2 4.47Å; F646-F729 HydrophobicContact CE1-CE2 4.28Å; F646-F729 HydrophobicContact CE1-CZ 4.45Å; F646-F729 HydrophobicContact CZ-CE1 4.48Å; F646-F729 HydrophobicContact CZ-CE2 4.21Å; F646-F729 HydrophobicContact CZ-CZ 4.03Å
647	V	98.1	Very high	94.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.4	170	177	0	0	0	0	108.3	L574 M578 W584 D605 I606 M608 L673 Y724 I725 A726	L574-V647 HydrophobicContact CD2-CG2 4.19Å; L574-V647 HydrophobicContact CG-CG2 4.29Å; M578-V647 HydrophobicContact CE-CG2 3.8Å; M578-V647 HydrophobicContact CG-CB 4.01Å; M578-V647 HydrophobicContact CG-CG1 4.29Å; M578-V647 HydrophobicContact CG-CG2 3.93Å; M578-V647 HydrophobicContact SD-CB 4.27Å; M578-V647 HydrophobicContact SD-CG2 4.17Å; W584-V647 HydrophobicContact CH2-CG1 4.21Å; W584-V647 WeakPolarHBondContact CZ3-O 3.23Å; D605-V647 WeakPolarHBondContact CA-O 3.29Å; D605-V647 VanDerWaalsContact CB-O 3.25Å; D605-V647 WeakPolarHBondContact CB-O 3.36Å; I606-V647 PolarHBondContact N-O 2.94Å; I606-V647 PolarHBondContact O-N 3.17Å; M608-V647 HydrophobicContact CE-CG2 3.72Å; V647-L673 HydrophobicContact CG1-CD1 3.8Å; V647-L673 HydrophobicContact CG2-CD1 4.14Å; V647-Y724 HydrophobicContact CG1-CD1 4.47Å; V647-I725 CarbonylContact C-O 3.57Å; V647-I725 WeakPolarHBondContact CA-O 3.29Å; V647-A726 HydrophobicContact CG2-CB 4.23Å
648	V	96.8	Very high	94.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.7	177	-174.3	0	0	0	0	109.9	T603 D605 F646 Y650 Y724 I725 V727	T603-V648 HydrophobicContact CG2-CG1 3.95Å; T603-V648 HydrophobicContact CG2-CG2 4.32Å; D605-V648 HydrophobicContact CB-CG2 4.33Å; F646-V648 HydrophobicContact CD2-CG2 3.47Å; F646-V648 VanDerWaalsContact CD2-CG2 3.47Å; F646-V648 HydrophobicContact CE2-CG2 3.44Å; F646-V648 VanDerWaalsContact CE2-CG2 3.44Å; V648-Y650 HydrophobicContact CB-CE2 4.04Å; V648-Y650 HydrophobicContact CG1-CD2 3.92Å; V648-Y650 HydrophobicContact CG1-CE1 4.12Å; V648-Y650 HydrophobicContact CG1-CE2 3.38Å; V648-Y650 HydrophobicContact CG1-CG 4.49Å; V648-Y650 VanDerWaalsContact CG1-CZ 3.49Å; V648-Y724 WeakPolarHBondContact O-CA 3.49Å; V648-I725 HydrophobicContact CB-CD1 4.45Å; V648-I725 HydrophobicContact CB-CG1 3.87Å; V648-I725 HydrophobicContact CG2-CG1 4.34Å; V648-I725 PolarHBondContact N-O 3.08Å; V648-I725 PolarHBondContact O-N 2.9Å; V648-I725 VanDerWaalsContact O-N 3.13Å; V648-V727 HydrophobicContact CG2-CG2 4.32Å
649	R	97	Very high	94.1	Very high	21 Å²	21	54.4 Å²	54.4	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.3	172.7	-174.2	177	78.1	-173.2	-6.1	111	E579 W584 I604 K651 E654 V722 R723 Y724	E579-R649 VanDerWaalsContact OE1-CD 3.22Å; E579-R649 WeakPolarHBondContact OE1-CD 3.49Å; E579-R649 IonicContact OE1-CZ 2.64Å; E579-R649 IonicContact OE1-NE 3.75Å; E579-R649 IonicContact OE1-NH1 3.93Å; E579-R649 PolarHBondContact OE1-NH1 3.44Å; E579-R649 IonicContact OE2-NH1 2.99Å; E579-R649 PolarHBondContact OE2-NH1 2.67Å; W584-R649 VanDerWaalsContact CD1-NH1 3.34Å; W584-R649 HydrophobicContact CE3-CB 3.89Å; W584-R649 HydrophobicContact CH2-CB 3.84Å; W584-R649 HydrophobicContact CZ2-CB 4.45Å; W584-R649 HydrophobicContact CZ3-CB 3.52Å; I604-R649 PolarHBondContact O-N 2.95Å; R649-K651 VanDerWaalsContact CD-CE 3.46Å; R649-K651 HydrophobicContact CG-CG 4.28Å; R649-K651 VanDerWaalsContact NE-CE 3.28Å; R649-E654 IonicContact CZ-OE1 3.71Å; R649-E654 IonicContact CZ-OE2 3.43Å; R649-E654 IonicContact NE-OE2 2.61Å; R649-E654 PolarHBondContact NE-OE2 2.78Å; R649-E654 VanDerWaalsContact NH2-CD 3.32Å; R649-E654 IonicContact NH2-OE1 2.98Å; R649-E654 PolarHBondContact NH2-OE1 3.04Å; R649-E654 IonicContact NH2-OE2 2.85Å; R649-E654 PolarHBondContact NH2-OE2 2.96Å; R649-V722 HydrophobicContact CG-CG1 3.46Å; R649-V722 VanDerWaalsContact CG-CG1 3.46Å; R649-R723 WeakPolarHBondContact CA-O 3.08Å; R649-Y724 HydrophobicContact CB-CD1 4Å; R649-Y724 HydrophobicContact CB-CE1 3.87Å; R649-Y724 VanDerWaalsContact CD-CE1 3.43Å; R649-Y724 HydrophobicContact CG-CD1 3.96Å; R649-Y724 HydrophobicContact CG-CE1 3.45Å; R649-Y724 VanDerWaalsContact CG-CE1 3.45Å
650	Y	96.6	Very high	94	Very high	7 Å²	7	48.8 Å²	48.8	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.3	173.4	-61.8	-84	0	0	0	111.1	V648 Q655 L658 T718 R723 I725	V648-Y650 HydrophobicContact CB-CE2 4.04Å; V648-Y650 HydrophobicContact CG1-CD2 3.92Å; V648-Y650 HydrophobicContact CG1-CE1 4.12Å; V648-Y650 HydrophobicContact CG1-CE2 3.38Å; V648-Y650 HydrophobicContact CG1-CG 4.49Å; V648-Y650 VanDerWaalsContact CG1-CZ 3.49Å; Y650-Q655 VanDerWaalsContact CA-O 3.26Å; Y650-Q655 WeakPolarHBondContact CA-O 3.2Å; Y650-Q655 WeakPolarHBondContact CD1-O 3.48Å; Y650-L658 HydrophobicContact CE1-CB 4.12Å; Y650-L658 WeakPolarHBondContact OH-CD2 3.25Å; Y650-T718 WeakPolarHBondContact CB-OG1 3.42Å; Y650-R723 PolarHBondContact N-O 2.98Å; Y650-R723 PolarHBondContact O-N 3.42Å; Y650-I725 HydrophobicContact CE2-CD1 3.79Å; Y650-I725 HydrophobicContact CE2-CG1 4.09Å
651	K	95.1	Very high	94	Very high	34 Å²	34	49.5 Å²	49.5	15%	0.148	24%	0.241	C	C	.	.			trans	-137.7	148.8	174.3	-58.1	-169.8	-168.7	154.3	0	111.9	R649 D653 E654 Q655 P656 V722	R649-K651 VanDerWaalsContact CD-CE 3.46Å; R649-K651 HydrophobicContact CG-CG 4.28Å; R649-K651 VanDerWaalsContact NE-CE 3.28Å; K651-D653 VanDerWaalsContact CB-OD1 3.23Å; K651-D653 WeakPolarHBondContact CB-OD1 3.33Å; K651-D653 PolarHBondContact O-N 3.44Å; K651-E654 HydrophobicContact CB-CB 4.17Å; K651-E654 HydrophobicContact CB-CG 4.29Å; K651-E654 HydrophobicContact CD-CG 4.25Å; K651-E654 IonicContact NZ-OE1 2.82Å; K651-E654 PolarHBondContact NZ-OE1 3.3Å; K651-E654 IonicContact NZ-OE2 3.85Å; K651-E654 PolarHBondContact O-N 3.06Å; K651-Q655 PolarHBondContact N-O 3.44Å; K651-Q655 CarbonylContact O-C 3.23Å; K651-Q655 VanDerWaalsContact O-C 3.23Å; K651-P656 VanDerWaalsContact O-CA 3.31Å; K651-P656 WeakPolarHBondContact O-CA 3.4Å; K651-P656 WeakPolarHBondContact O-CB 3.27Å; K651-V722 HydrophobicContact CD-CG1 4.22Å; K651-V722 HydrophobicContact CD-CG2 3.84Å; K651-V722 HydrophobicContact CG-CB 4.2Å; K651-V722 HydrophobicContact CG-CG1 3.73Å; K651-V722 HydrophobicContact CG-CG2 3.88Å
652	P	94.9	Very high	93.8	Very high	60 Å²	60	47.7 Å²	47.7	39%	0.39	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.3	176	-26.6	35	0	0	0	114.9	G721	P652-G721 VanDerWaalsContact CD-O 3.24Å; P652-G721 WeakPolarHBondContact CD-O 3.24Å
653	D	93.4	Very high	93.8	Very high	132 Å²	132	47 Å²	47	71%	0.706	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-6.8	-174.1	60.7	-33.2	0	0	0	114.1	K651	K651-D653 VanDerWaalsContact CB-OD1 3.23Å; K651-D653 WeakPolarHBondContact CB-OD1 3.33Å; K651-D653 PolarHBondContact O-N 3.44Å
654	E	91.4	Very high	94.1	Very high	72 Å²	72	43.4 Å²	43.4	34%	0.336	22%	0.218	S	C	.	.	S	Bend	trans	-114.2	-106.3	175.7	-60.5	175.6	-172	0	0	109.2	I604 R649 K651 P656	I604-E654 HydrophobicContact CD1-CB 3.64Å; R649-E654 IonicContact CZ-OE1 3.71Å; R649-E654 IonicContact CZ-OE2 3.43Å; R649-E654 IonicContact NE-OE2 2.61Å; R649-E654 PolarHBondContact NE-OE2 2.78Å; R649-E654 VanDerWaalsContact NH2-CD 3.32Å; R649-E654 IonicContact NH2-OE1 2.98Å; R649-E654 PolarHBondContact NH2-OE1 3.04Å; R649-E654 IonicContact NH2-OE2 2.85Å; R649-E654 PolarHBondContact NH2-OE2 2.96Å; K651-E654 HydrophobicContact CB-CB 4.17Å; K651-E654 HydrophobicContact CB-CG 4.29Å; K651-E654 HydrophobicContact CD-CG 4.25Å; K651-E654 IonicContact NZ-OE1 2.82Å; K651-E654 PolarHBondContact NZ-OE1 3.3Å; K651-E654 IonicContact NZ-OE2 3.85Å; K651-E654 PolarHBondContact O-N 3.06Å; E654-P656 WeakPolarHBondContact O-CD 3.26Å
655	Q	92.7	Very high	94.4	Very high	32 Å²	32	41.3 Å²	41.3	15%	0.15	21%	0.207	C	C	.	.			trans	-110.5	104.5	172.4	-176.3	176	15.2	0	0	109.5	P602 T603 I604 Y650 K651 Y657	P602-Q655 PolarHBondContact O-NE2 2.89Å; T603-Q655 VanDerWaalsContact CA-OE1 3.23Å; I604-Q655 HydrophobicContact CD1-CB 3.73Å; I604-Q655 HydrophobicContact CG1-CB 4.06Å; Y650-Q655 VanDerWaalsContact CA-O 3.26Å; Y650-Q655 WeakPolarHBondContact CA-O 3.2Å; Y650-Q655 WeakPolarHBondContact CD1-O 3.48Å; K651-Q655 PolarHBondContact N-O 3.44Å; K651-Q655 CarbonylContact O-C 3.23Å; K651-Q655 VanDerWaalsContact O-C 3.23Å; Q655-Y657 WeakPolarHBondContact CG-O 3.43Å
656	P	94.4	Very high	94.5	Very high	33 Å²	33	44 Å²	44	21%	0.214	22%	0.223	C	C	.	.			trans	-86.5	-20.9	-176.1	20.9	-21.8	0	0	0	114.7	K651 E654 P717 T718	K651-P656 VanDerWaalsContact O-CA 3.31Å; K651-P656 WeakPolarHBondContact O-CA 3.4Å; K651-P656 WeakPolarHBondContact O-CB 3.27Å; E654-P656 WeakPolarHBondContact O-CD 3.26Å; P656-P717 CarbonylContact O-C 3.59Å; P656-P717 WeakPolarHBondContact O-CA 3.43Å; P656-T718 WeakPolarHBondContact CB-O 3.49Å; P656-T718 PolarHBondContact O-N 3.46Å
657	Y	94.6	Very high	94.6	Very high	133 Å²	133	44.1 Å²	44.1	52%	0.522	22%	0.224	S	C	.	.			trans	-143.3	166.8	-174	75.7	-82.3	0	0	0	111.2	Q655 G715	Q655-Y657 WeakPolarHBondContact CG-O 3.43Å; Y657-G715 WeakPolarHBondContact CB-O 3.22Å
658	L	94.6	Very high	94.5	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.084	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.5	174.1	-166.5	60.2	0	0	0	109.6	V601 T603 Y650 H661 G715	V601-L658 HydrophobicContact CG1-CD1 3.63Å; V601-L658 HydrophobicContact CG1-CG 4.1Å; T603-L658 HydrophobicContact CG2-CD1 3.59Å; T603-L658 HydrophobicContact CG2-CD2 3.79Å; T603-L658 HydrophobicContact CG2-CG 4.31Å; Y650-L658 HydrophobicContact CE1-CB 4.12Å; Y650-L658 WeakPolarHBondContact OH-CD2 3.25Å; L658-H661 WeakPolarHBondContact CD2-CE1 3.25Å; L658-G715 PolarHBondContact N-O 3.47Å; L658-G715 PolarHBondContact O-N 3.31Å
659	R	93.3	Very high	94.6	Very high	124 Å²	124	44.1 Å²	44.1	47%	0.468	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	157.2	-178.3	64.9	-178.9	-179.6	178.7	-0.3	112.2	N600 V601 H661	N600-R659 PolarHBondContact O-NH2 2.96Å; V601-R659 HydrophobicContact CG1-CG 3.95Å; R659-H661 PolarHBondContact O-N 3.33Å; R659-H661 PolarHBondContact O-ND1 3.41Å
660	P	95.1	Very high	94.7	Very high	40 Å²	40	44 Å²	44	26%	0.26	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	129.7	176.4	-27.1	32.7	0	0	0	114	L688 Y712 H713 E714	P660-L688 HydrophobicContact CB-CD1 4.26Å; P660-L688 HydrophobicContact CB-CD2 3.98Å; P660-L688 HydrophobicContact CG-CD1 4.41Å; P660-L688 HydrophobicContact CG-CD2 3.91Å; P660-Y712 VanDerWaalsContact C-CZ 3.49Å; P660-Y712 HydrophobicContact CB-CD1 4.09Å; P660-Y712 HydrophobicContact CB-CE1 3.33Å; P660-Y712 HydrophobicContact CB-CE2 4.44Å; P660-Y712 PolarHBondContact O-OH 3.38Å; P660-H713 CarbonylContact C-O 3.5Å; P660-H713 VanDerWaalsContact CA-O 3.24Å; P660-H713 WeakPolarHBondContact CA-O 3.41Å; P660-E714 HydrophobicContact CB-CB 4.42Å; P660-E714 HydrophobicContact CG-CB 3.97Å; P660-E714 WeakPolarHBondContact CG-OE2 3.24Å
661	H	94	Very high	94.8	Very high	16 Å²	16	43.7 Å²	43.7	7%	0.074	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	173.5	-178.2	63.1	-69.7	0	0	0	113.7	V601 L658 R659 D663 Y712 H713	V601-H661 HydrophobicContact CB-CB 4.41Å; V601-H661 HydrophobicContact CG1-CB 4.18Å; V601-H661 HydrophobicContact CG2-CB 3.68Å; L658-H661 WeakPolarHBondContact CD2-CE1 3.25Å; R659-H661 PolarHBondContact O-N 3.33Å; R659-H661 PolarHBondContact O-ND1 3.41Å; H661-D663 IonicContact CD2-OD1 3.28Å; H661-D663 PolarHBondContact CD2-OD1 3.4Å; H661-D663 IonicContact NE2-OD1 3.78Å; H661-D663 PolarHBondContact NE2-OD1 3.48Å; H661-Y712 VanDerWaalsContact C-CE2 3.46Å; H661-Y712 WeakPolarHBondContact O-CA 3.47Å; H661-Y712 WeakPolarHBondContact O-CD2 3.23Å; H661-H713 AromaticContact CE1-NE2 3.54Å; H661-H713 PolarHBondContact N-O 3.26Å; H661-H713 PolarHBondContact ND1-O 3.02Å; H661-H713 AromaticContact NE2-CE1 3.78Å; H661-H713 AromaticContact NE2-NE2 3.46Å; H661-H713 PolarHBondContact NE2-NE2 2.82Å; H661-H713 PolarHBondContact O-N 3.34Å
662	H	92.3	Very high	94.9	Very high	79 Å²	79	42.2 Å²	42.2	37%	0.366	22%	0.218	S	C	.	.			trans	-110.8	149.3	163.3	-77.4	-62.4	0	0	0	109.1	G707 Y712	H662-G707 PolarHBondContact ND1-O 3Å; H662-Y712 AromaticContact CD2-CD2 3.55Å; H662-Y712 AromaticContact CE1-CD2 3.91Å; H662-Y712 PolarHBondContact CE1-N 2.91Å; H662-Y712 AromaticContact CG-CD2 3.94Å; H662-Y712 AromaticContact NE2-CD2 3.54Å
663	D	91.9	Very high	95.1	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.032	20%	0.199	C	C	.	.			trans	-85.8	149.3	174.5	-60.7	-27.6	0	0	0	110.4	H661 S665 T668 H705 G707 R708 H713 F729	H661-D663 IonicContact CD2-OD1 3.28Å; H661-D663 PolarHBondContact CD2-OD1 3.4Å; H661-D663 IonicContact NE2-OD1 3.78Å; H661-D663 PolarHBondContact NE2-OD1 3.48Å; D663-S665 WeakPolarHBondContact CB-OG 3.48Å; D663-S665 PolarHBondContact O-N 3.03Å; D663-T668 WeakPolarHBondContact CB-OG1 3.14Å; D663-T668 VanDerWaalsContact CG-OG1 3.31Å; D663-T668 VanDerWaalsContact OD2-CB 3.27Å; D663-T668 WeakPolarHBondContact OD2-CB 3.33Å; D663-T668 WeakPolarHBondContact OD2-CG2 3.41Å; D663-T668 PolarHBondContact OD2-OG1 3.4Å; D663-H705 IonicContact OD2-CE1 2.82Å; D663-G707 PolarHBondContact N-O 3.18Å; D663-R708 WeakPolarHBondContact O-CG 3.49Å; D663-H713 IonicContact OD1-CE1 2.75Å; D663-H713 PolarHBondContact OD1-CE1 2.78Å; D663-H713 IonicContact OD1-NE2 2.74Å; D663-H713 IonicContact OD2-CE1 3.23Å; D663-H713 PolarHBondContact OD2-CE1 3.43Å; D663-H713 VanDerWaalsContact OD2-CE1 3.3Å; D663-H713 IonicContact OD2-NE2 3.94Å; D663-F729 HydrophobicContact CB-CD1 3.86Å; D663-F729 HydrophobicContact CB-CE1 3.62Å; D663-F729 HydrophobicContact CB-CE2 4.35Å; D663-F729 HydrophobicContact CB-CG 4.34Å; D663-F729 HydrophobicContact CB-CZ 3.88Å; D663-F729 WeakPolarHBondContact OD1-CE1 3.31Å; D663-F729 VanDerWaalsContact OD1-CZ 3.31Å; D663-F729 WeakPolarHBondContact OD1-CZ 3.36Å
664	A	91.1	Very high	95.3	Very high	52 Å²	52	33.6 Å²	33.6	43%	0.43	17%	0.169	S	C	.	.	S	Bend	trans	-81.4	54.6	172.2	0	0	0	0	0	110.7	P732	A664-P732 VanDerWaalsContact O-CB 3.25Å; A664-P732 WeakPolarHBondContact O-CB 3.45Å
665	S	94.2	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-141.8	159	-176.4	64.9	0	0	0	0	111.9	D663 F667 T668 G707 R708 V730	D663-S665 WeakPolarHBondContact CB-OG 3.48Å; D663-S665 PolarHBondContact O-N 3.03Å; S665-F667 WeakPolarHBondContact CB-O 3.34Å; S665-F667 PolarHBondContact OG-O 2.84Å; S665-T668 PolarHBondContact OG-OG1 2.79Å; S665-G707 WeakPolarHBondContact OG-CA 3.46Å; S665-R708 WeakPolarHBondContact O-CG 3.4Å; S665-V730 WeakPolarHBondContact CB-O 3.26Å
666	T	96.7	Very high	95.6	Very high	61 Å²	61	34 Å²	34	37%	0.374	17%	0.174	S	C	.	.	S	Bend	trans	-70.9	-47.7	162.3	-63.4	0	0	0	0	109.5	Y636 P706 G707 V730 D731	Y636-T666 HydrophobicContact CE2-CG2 3.8Å; Y636-T666 WeakPolarHBondContact OH-CG2 3.35Å; T666-P706 WeakPolarHBondContact O-CA 3.34Å; T666-G707 PolarHBondContact O-N 2.9Å; T666-V730 PolarHBondContact N-O 3.13Å; T666-D731 VanDerWaalsContact CB-O 3.23Å; T666-D731 WeakPolarHBondContact CB-O 3.15Å; T666-D731 PolarHBondContact N-O 3.06Å; T666-D731 PolarHBondContact OG1-O 2.84Å
667	F	97.4	Very high	95.6	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.2	170.9	73.1	-81.7	0	0	0	111.5	V625 T629 Y636 S665 I669 M704 H705 V730	V625-F667 HydrophobicContact CG1-CE2 4.11Å; T629-F667 HydrophobicContact CG2-CD1 4.16Å; T629-F667 HydrophobicContact CG2-CD2 4.23Å; T629-F667 HydrophobicContact CG2-CE1 3.9Å; T629-F667 HydrophobicContact CG2-CE2 3.97Å; T629-F667 HydrophobicContact CG2-CG 4.31Å; T629-F667 HydrophobicContact CG2-CZ 3.78Å; T629-F667 WeakPolarHBondContact OG1-CE2 3.4Å; Y636-F667 AromaticContact CE1-CD1 3.89Å; Y636-F667 HydrophobicContact CE1-CD1 3.89Å; Y636-F667 AromaticContact CE1-CE1 3.78Å; Y636-F667 HydrophobicContact CE1-CE1 3.78Å; S665-F667 WeakPolarHBondContact CB-O 3.34Å; S665-F667 PolarHBondContact OG-O 2.84Å; F667-I669 HydrophobicContact CD2-CD1 4.04Å; F667-I669 HydrophobicContact CD2-CG1 4.23Å; F667-I669 HydrophobicContact CE2-CD1 3.87Å; F667-I669 HydrophobicContact CE2-CG1 3.89Å; F667-M704 HydrophobicContact CD2-CG 4.06Å; F667-M704 HydrophobicContact CD2-SD 4.35Å; F667-M704 HydrophobicContact CE2-SD 4.48Å; F667-H705 CarbonylContact C-O 3.58Å; F667-H705 VanDerWaalsContact CA-O 3.29Å; F667-H705 WeakPolarHBondContact CA-O 3.31Å; F667-H705 WeakPolarHBondContact CB-O 3.21Å; F667-V730 HydrophobicContact CD1-CB 4.2Å; F667-V730 HydrophobicContact CD1-CG1 4.44Å; F667-V730 HydrophobicContact CD2-CB 4.29Å; F667-V730 HydrophobicContact CE1-CB 3.73Å; F667-V730 HydrophobicContact CE1-CG1 3.53Å; F667-V730 HydrophobicContact CE2-CB 3.84Å; F667-V730 HydrophobicContact CE2-CG1 4.1Å; F667-V730 HydrophobicContact CE2-CG2 4.1Å; F667-V730 HydrophobicContact CG-CB 4.47Å; F667-V730 HydrophobicContact CZ-CB 3.55Å; F667-V730 HydrophobicContact CZ-CG1 3.34Å; F667-V730 HydrophobicContact CZ-CG2 4.17Å; F667-V730 PolarHBondContact N-O 3.23Å; F667-V730 PolarHBondContact O-N 2.87Å
668	T	97.9	Very high	95.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.4	-179.5	-64.3	0	0	0	0	110	D663 S665 M704 H705 V727 S728 F729	D663-T668 WeakPolarHBondContact CB-OG1 3.14Å; D663-T668 VanDerWaalsContact CG-OG1 3.31Å; D663-T668 VanDerWaalsContact OD2-CB 3.27Å; D663-T668 WeakPolarHBondContact OD2-CB 3.33Å; D663-T668 WeakPolarHBondContact OD2-CG2 3.41Å; D663-T668 PolarHBondContact OD2-OG1 3.4Å; S665-T668 PolarHBondContact OG-OG1 2.79Å; T668-M704 WeakPolarHBondContact O-CA 3.33Å; T668-H705 PolarHBondContact N-O 2.78Å; T668-H705 PolarHBondContact O-N 3.26Å; T668-V727 HydrophobicContact CG2-CG1 3.9Å; T668-S728 WeakPolarHBondContact CA-O 3.38Å; T668-F729 HydrophobicContact CG2-CD1 3.91Å; T668-F729 HydrophobicContact CG2-CE1 3.95Å
669	I	98.4	Very high	95.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129	167.4	-60.6	-61.1	0	0	0	108.6	V625 F667 I671 A702 L703 M704 V727 S728 V730	V625-I669 HydrophobicContact CG1-CD1 3.5Å; V625-I669 VanDerWaalsContact CG1-CD1 3.5Å; V625-I669 HydrophobicContact CG1-CG1 3.62Å; F667-I669 HydrophobicContact CD2-CD1 4.04Å; F667-I669 HydrophobicContact CD2-CG1 4.23Å; F667-I669 HydrophobicContact CE2-CD1 3.87Å; F667-I669 HydrophobicContact CE2-CG1 3.89Å; I669-I671 HydrophobicContact CG2-CD1 4.12Å; I669-I671 HydrophobicContact CG2-CG1 3.79Å; I669-A702 HydrophobicContact CG2-CB 4.3Å; I669-L703 CarbonylContact C-O 3.59Å; I669-L703 WeakPolarHBondContact CA-O 3.35Å; I669-M704 HydrophobicContact CD1-CB 3.67Å; I669-M704 HydrophobicContact CD1-CG 3.7Å; I669-M704 HydrophobicContact CD1-SD 4.09Å; I669-V727 CarbonylContact O-C 3.58Å; I669-V727 VanDerWaalsContact O-CA 3.28Å; I669-V727 WeakPolarHBondContact O-CA 3.37Å; I669-S728 PolarHBondContact N-O 2.82Å; I669-S728 PolarHBondContact O-N 2.9Å; I669-V730 HydrophobicContact CG1-CG2 4.36Å
670	N	98.1	Very high	96	Very high	18 Å²	18	30.8 Å²	30.8	10%	0.096	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	108.8	178.7	-178.2	-23.3	0	0	0	109.8	A702 L703 A726	N670-A702 CarbonylContact O-C 3.51Å; N670-A702 WeakPolarHBondContact O-CA 3.37Å; N670-L703 HydrophobicContact CB-CB 4.3Å; N670-L703 PolarHBondContact N-O 2.92Å; N670-L703 PolarHBondContact O-N 2.87Å; N670-A726 WeakPolarHBondContact CA-O 3.49Å
671	I	98.6	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.6	-174.1	-47.4	172.1	0	0	0	108.9	L565 F566 W617 F620 I669 L673 A702 I725 A726	L565-I671 HydrophobicContact CD2-CD1 3.8Å; L565-I671 HydrophobicContact CD2-CG1 4.33Å; F566-I671 HydrophobicContact CD2-CD1 4.1Å; F566-I671 HydrophobicContact CD2-CG2 4.05Å; F566-I671 HydrophobicContact CE2-CD1 3.83Å; W617-I671 HydrophobicContact CH2-CD1 3.99Å; W617-I671 HydrophobicContact CZ2-CD1 4.24Å; F620-I671 HydrophobicContact CE1-CD1 4.1Å; F620-I671 HydrophobicContact CZ-CD1 3.98Å; I669-I671 HydrophobicContact CG2-CD1 4.12Å; I669-I671 HydrophobicContact CG2-CG1 3.79Å; I671-L673 HydrophobicContact CG2-CD2 4.34Å; I671-A702 HydrophobicContact CG1-CB 3.91Å; I671-I725 CarbonylContact O-C 3.52Å; I671-I725 WeakPolarHBondContact O-CA 3.39Å; I671-A726 HydrophobicContact CB-CB 4.32Å; I671-A726 PolarHBondContact N-O 2.92Å; I671-A726 PolarHBondContact O-N 3.08Å
672	A	98.4	Very high	96.1	Very high	4 Å²	4	34 Å²	34	3%	0.033	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.6	172.7	0	0	0	0	0	110.6	P697 G700 W701	A672-P697 HydrophobicContact CB-CB 3.73Å; A672-G700 PolarHBondContact O-N 3.49Å; A672-W701 PolarHBondContact N-O 2.8Å
673	L	98.5	Very high	96.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.187	C	C	.	.			trans	-100.7	-12.7	-177.1	-57	179.2	0	0	0	113.3	C571 L574 V575 V647 I671 K699 Y724 A726	C571-L673 HydrophobicContact CB-CB 4.48Å; C571-L673 HydrophobicContact CB-CD2 4.47Å; C571-L673 VanDerWaalsContact CB-O 3.32Å; C571-L673 WeakPolarHBondContact CB-O 3.41Å; L574-L673 HydrophobicContact CD2-CD1 4Å; L574-L673 HydrophobicContact CD2-CD2 4.03Å; L574-L673 HydrophobicContact CG-CD1 4.45Å; V575-L673 HydrophobicContact CG2-CB 3.67Å; V575-L673 HydrophobicContact CG2-CD1 3.94Å; V575-L673 HydrophobicContact CG2-CG 4.46Å; V647-L673 HydrophobicContact CG1-CD1 3.8Å; V647-L673 HydrophobicContact CG2-CD1 4.14Å; I671-L673 HydrophobicContact CG2-CD2 4.34Å; L673-K699 WeakPolarHBondContact O-CE 3.35Å; L673-Y724 PolarHBondContact N-O 2.94Å; L673-A726 HydrophobicContact CD1-CB 4.1Å; L673-A726 HydrophobicContact CD2-CB 4.14Å; L673-A726 HydrophobicContact CG-CB 4.32Å
674	N	97.6	Very high	96.2	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.059	19%	0.186	C	C	.	.	S	Bend	trans	-145	173.5	175.6	70.6	-18	0	0	0	112.3	D679 Y680 V722 Y724	N674-D679 HydrophobicContact CB-CB 4.09Å; N674-D679 WeakPolarHBondContact CB-OD2 3.35Å; N674-D679 VanDerWaalsContact ND2-CB 3.34Å; N674-D679 WeakPolarHBondContact ND2-CB 3.39Å; N674-Y680 WeakPolarHBondContact OD1-CE1 3.28Å; N674-V722 PolarHBondContact ND2-O 3.38Å; N674-Y724 WeakPolarHBondContact ND2-CD2 3.45Å; N674-Y724 PolarHBondContact OD1-N 2.84Å
675	Q	95.8	Very high	96.5	Very high	66 Å²	66	28 Å²	28	31%	0.308	17%	0.167	S	C	.	.			trans	-98.8	127.6	-163.9	-63.6	-176.9	12.9	0	0	112.7	I678 D679 K699	Q675-I678 HydrophobicContact CB-CB 4.31Å; Q675-I678 HydrophobicContact CB-CD1 4.4Å; Q675-I678 PolarHBondContact O-N 3.04Å; Q675-D679 PolarHBondContact N-OD2 3.13Å; Q675-D679 PolarHBondContact O-N 2.84Å; Q675-K699 HydrophobicContact CG-CB 3.68Å; Q675-K699 HydrophobicContact CG-CD 3.83Å; Q675-K699 HydrophobicContact CG-CG 4.37Å
676	V	94.9	Very high	96.7	Very high	47 Å²	47	32.1 Å²	32.1	29%	0.285	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-62.6	142.2	168.4	66.4	0	0	0	0	110.2	I678 Y680 A696	V676-I678 PolarHBondContact O-N 3.14Å; V676-Y680 HydrophobicContact CB-CE1 4.34Å; V676-Y680 HydrophobicContact CB-CE2 3.95Å; V676-Y680 HydrophobicContact CG2-CD2 4.46Å; V676-Y680 HydrophobicContact CG2-CE2 3.97Å; V676-A696 HydrophobicContact CG1-CB 4.13Å
677	G	94.8	Very high	96.7	Very high	42 Å²	42	29.2 Å²	29.2	43%	0.433	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-27	-179.2	0	0	0	0	0	114.4	Y680 Q681	G677-Y680 PolarHBondContact N-O 2.83Å; G677-Q681 PolarHBondContact O-NE2 2.93Å
678	I	95.4	Very high	96.7	Very high	125 Å²	125	31.7 Å²	31.7	64%	0.641	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-57.9	178.9	-67.6	162.7	0	0	0	110.2	Q675 V676	Q675-I678 HydrophobicContact CB-CB 4.31Å; Q675-I678 HydrophobicContact CB-CD1 4.4Å; Q675-I678 PolarHBondContact O-N 3.04Å; V676-I678 PolarHBondContact O-N 3.14Å
679	D	96.6	Very high	96.7	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.364	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-27.1	-174	-54.2	-56.1	0	0	0	112.5	N674 Q675 G721 V722	N674-D679 HydrophobicContact CB-CB 4.09Å; N674-D679 WeakPolarHBondContact CB-OD2 3.35Å; N674-D679 VanDerWaalsContact ND2-CB 3.34Å; N674-D679 WeakPolarHBondContact ND2-CB 3.39Å; Q675-D679 PolarHBondContact N-OD2 3.13Å; Q675-D679 PolarHBondContact O-N 2.84Å; D679-G721 WeakPolarHBondContact O-CA 3.22Å; D679-V722 PolarHBondContact O-N 3.28Å; D679-V722 VanDerWaalsContact O-N 3.11Å
680	Y	97.5	Very high	96.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.4	178	68	-85.1	0	0	0	113.2	N674 V676 G677 G682 T718 A720 R723	N674-Y680 WeakPolarHBondContact OD1-CE1 3.28Å; V676-Y680 HydrophobicContact CB-CE1 4.34Å; V676-Y680 HydrophobicContact CB-CE2 3.95Å; V676-Y680 HydrophobicContact CG2-CD2 4.46Å; V676-Y680 HydrophobicContact CG2-CE2 3.97Å; G677-Y680 PolarHBondContact N-O 2.83Å; Y680-G682 WeakPolarHBondContact CE2-O 3.5Å; Y680-T718 HydrophobicContact CD2-CG2 4.4Å; Y680-A720 CarbonylContact C-O 3.56Å; Y680-A720 WeakPolarHBondContact CA-O 3.22Å; Y680-A720 WeakPolarHBondContact CB-O 3.24Å; Y680-R723 HydrophobicContact CD1-CB 3.84Å; Y680-R723 HydrophobicContact CD1-CG 4.14Å; Y680-R723 HydrophobicContact CD2-CB 3.81Å; Y680-R723 HydrophobicContact CD2-CG 4.1Å; Y680-R723 HydrophobicContact CE1-CB 4.11Å; Y680-R723 HydrophobicContact CE1-CG 3.87Å; Y680-R723 HydrophobicContact CE2-CB 4.08Å; Y680-R723 HydrophobicContact CE2-CG 3.83Å; Y680-R723 HydrophobicContact CG-CB 3.68Å; Y680-R723 HydrophobicContact CG-CG 4.25Å
681	Q	97.1	Very high	96.4	Very high	92 Å²	92	46.3 Å²	46.3	43%	0.43	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.7	173.4	-56.9	-66.2	-25.9	0	0	110.6	G677 T718 T719 A720	G677-Q681 PolarHBondContact O-NE2 2.93Å; Q681-T718 CarbonylContact O-C 3.54Å; Q681-T718 WeakPolarHBondContact O-CA 3.24Å; Q681-T719 PolarHBondContact O-N 3.27Å; Q681-T719 PolarHBondContact O-OG1 3.31Å; Q681-A720 HydrophobicContact CB-CB 3.92Å; Q681-A720 HydrophobicContact CG-CB 3.91Å; Q681-A720 PolarHBondContact N-O 2.93Å
682	G	94.4	Very high	96.4	Very high	33 Å²	33	47.5 Å²	47.5	34%	0.34	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.5	-151.9	-173.2	0	0	0	0	0	111.7	Y680	Y680-G682 WeakPolarHBondContact CE2-O 3.5Å
683	G	92.8	Very high	96.3	Very high	5 Å²	5	49.6 Å²	49.6	5%	0.052	26%	0.263	C	S	.	.			trans	81.6	-167.4	-179.4	0	0	0	0	0	113.8	L716 P717	G683-L716 WeakPolarHBondContact CA-O 3.1Å; G683-L716 WeakPolarHBondContact O-CB 3.36Å; G683-P717 PolarHBondContact N-O 2.55Å
684	G	94.3	Very high	96.2	Very high	1 Å²	1	50 Å²	50	1%	0.01	27%	0.265	C	S	.	.			trans	112.6	-166.7	-174.1	0	0	0	0	0	113.6	I694 L716 R723	G684-I694 CarbonylContact C-O 3.54Å; G684-I694 WeakPolarHBondContact CA-O 3.15Å; G684-L716 PolarHBondContact O-N 3.24Å; G684-R723 PolarHBondContact O-NH1 3.45Å; G684-R723 PolarHBondContact O-NH2 2.84Å
685	C	97.3	Very high	95.9	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.034	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.6	175.2	-174.8	0	0	0	0	109.1	S693 I694 E714	C685-S693 WeakPolarHBondContact O-CA 3.41Å; C685-I694 PolarHBondContact N-O 3.48Å; C685-I694 PolarHBondContact O-N 3.16Å; C685-E714 WeakPolarHBondContact CA-O 3.22Å
686	R	97.8	Very high	95.6	Very high	85 Å²	85	55.3 Å²	55.3	32%	0.321	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.7	175.2	177.2	-177.9	-172.5	-164.6	5.8	110.4	D691 C692 S693 H713 E714 L716	R686-D691 IonicContact CZ-OD1 3.99Å; R686-D691 IonicContact NE-OD1 3.64Å; R686-D691 PolarHBondContact NE-OD1 3.28Å; R686-D691 IonicContact NH2-OD1 3.57Å; R686-D691 PolarHBondContact NH2-OD1 3.33Å; R686-C692 CarbonylContact C-O 3.53Å; R686-C692 WeakPolarHBondContact CA-O 3.37Å; R686-S693 WeakPolarHBondContact CG-OG 3.45Å; R686-H713 CarbonylContact O-C 3.58Å; R686-H713 WeakPolarHBondContact O-CA 3.4Å; R686-H713 VanDerWaalsContact O-CB 3.3Å; R686-H713 WeakPolarHBondContact O-CB 3.47Å; R686-E714 HydrophobicContact CB-CG 3.88Å; R686-E714 VanDerWaalsContact CD-OE1 3.28Å; R686-E714 WeakPolarHBondContact CD-OE1 3.23Å; R686-E714 PolarHBondContact N-O 2.92Å; R686-E714 IonicContact NH1-OE1 3.13Å; R686-E714 PolarHBondContact NH1-OE1 3.26Å; R686-E714 PolarHBondContact O-N 2.79Å; R686-L716 HydrophobicContact CB-CD1 4.49Å; R686-L716 HydrophobicContact CB-CD2 4.01Å; R686-L716 HydrophobicContact CB-CG 4.24Å
687	F	98	Very high	95.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	104.2	173.9	-62.4	-85.3	0	0	0	109.6	C557 V560 R689 Y690 D691 C692 I694 H705 H711 H713	C557-F687 HydrophobicContact CB-CD2 4.28Å; V560-F687 HydrophobicContact CB-CE2 4.38Å; V560-F687 HydrophobicContact CG1-CE2 3.84Å; V560-F687 HydrophobicContact CG1-CZ 3.92Å; V560-F687 HydrophobicContact CG2-CD1 4.3Å; V560-F687 HydrophobicContact CG2-CD2 4.04Å; V560-F687 HydrophobicContact CG2-CE1 4.02Å; V560-F687 HydrophobicContact CG2-CE2 3.74Å; V560-F687 HydrophobicContact CG2-CG 4.31Å; V560-F687 HydrophobicContact CG2-CZ 3.72Å; F687-R689 PolarHBondContact O-N 3.28Å; F687-Y690 HydrophobicContact CB-CD2 3.83Å; F687-Y690 PolarHBondContact O-N 3.13Å; F687-Y690 VanDerWaalsContact O-N 3.16Å; F687-D691 PolarHBondContact O-N 3.11Å; F687-D691 VanDerWaalsContact O-N 3.17Å; F687-C692 PolarHBondContact N-O 3.14Å; F687-C692 PolarHBondContact O-N 2.91Å; F687-I694 HydrophobicContact CE2-CD1 3.96Å; F687-H705 HydrophobicContact CE1-CB 4.12Å; F687-H705 AromaticContact CE1-CD2 3.84Å; F687-H705 AromaticContact CE1-CG 3.67Å; F687-H705 AromaticContact CE1-ND1 3.81Å; F687-H705 HydrophobicContact CZ-CB 4.23Å; F687-H705 AromaticContact CZ-CD2 3.59Å; F687-H705 AromaticContact CZ-CG 3.83Å; F687-H705 AromaticContact CZ-NE2 4Å; F687-H711 HydrophobicContact CD1-CB 3.93Å; F687-H711 AromaticContact CD1-CD2 3.86Å; F687-H711 HydrophobicContact CE1-CB 4.11Å; F687-H713 HydrophobicContact CD1-CB 3.66Å; F687-H713 HydrophobicContact CE1-CB 3.91Å; F687-H713 HydrophobicContact CG-CB 4.32Å
688	L	96.9	Very high	95.5	Very high	60 Å²	60	54.8 Å²	54.8	31%	0.314	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-63.9	-40	-166.5	-75.7	78.2	0	0	0	112.4	P660 Y690 D691 Y712 E714	P660-L688 HydrophobicContact CB-CD1 4.26Å; P660-L688 HydrophobicContact CB-CD2 3.98Å; P660-L688 HydrophobicContact CG-CD1 4.41Å; P660-L688 HydrophobicContact CG-CD2 3.91Å; L688-Y690 PolarHBondContact O-N 2.89Å; L688-Y690 VanDerWaalsContact O-N 3.15Å; L688-D691 PolarHBondContact O-N 3.1Å; L688-Y712 HydrophobicContact CB-CD1 4.47Å; L688-Y712 WeakPolarHBondContact CD1-O 3.48Å; L688-Y712 HydrophobicContact CD2-CD1 4.08Å; L688-Y712 HydrophobicContact CD2-CE1 4.24Å; L688-Y712 PolarHBondContact N-O 2.98Å; L688-E714 HydrophobicContact CD1-CB 4.09Å; L688-E714 HydrophobicContact CD1-CG 3.88Å
689	R	96.6	Very high	95.7	Very high	146 Å²	146	50.1 Å²	50.1	55%	0.551	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-61.3	-22.9	-180	-77.5	-173.8	63.7	-116.8	7	113.5	F687 T710	F687-R689 PolarHBondContact O-N 3.28Å; R689-T710 VanDerWaalsContact CD-O 3.29Å; R689-T710 WeakPolarHBondContact CD-O 3.35Å; R689-T710 VanDerWaalsContact NH1-C 3.34Å; R689-T710 PolarHBondContact NH1-O 2.86Å
690	Y	95.9	Very high	95.7	Very high	66 Å²	66	46.9 Å²	46.9	26%	0.259	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-112.2	-1	-175.8	-49.7	-58.1	0	0	0	113	P558 F687 L688 C692 T710 H711	P558-Y690 HydrophobicContact CB-CD1 4.27Å; P558-Y690 HydrophobicContact CB-CE1 4.27Å; P558-Y690 HydrophobicContact CB-CG 4.47Å; P558-Y690 HydrophobicContact CG-CD1 4.07Å; P558-Y690 HydrophobicContact CG-CG 4.14Å; F687-Y690 HydrophobicContact CB-CD2 3.83Å; F687-Y690 PolarHBondContact O-N 3.13Å; F687-Y690 VanDerWaalsContact O-N 3.16Å; L688-Y690 PolarHBondContact O-N 2.89Å; L688-Y690 VanDerWaalsContact O-N 3.15Å; Y690-C692 PolarHBondContact O-N 3.16Å; Y690-C692 VanDerWaalsContact O-N 3.1Å; Y690-T710 PolarHBondContact OH-O 3.33Å; Y690-H711 AromaticContact CE2-CD2 3.69Å; Y690-H711 AromaticContact CE2-NE2 3.57Å; Y690-H711 PolarHBondContact OH-CE1 2.88Å
691	D	96.3	Very high	95.8	Very high	115 Å²	115	48.3 Å²	48.3	62%	0.615	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	44	39.1	-168.4	-161.8	28.6	0	0	0	113.2	R686 F687 L688	R686-D691 IonicContact CZ-OD1 3.99Å; R686-D691 IonicContact NE-OD1 3.64Å; R686-D691 PolarHBondContact NE-OD1 3.28Å; R686-D691 IonicContact NH2-OD1 3.57Å; R686-D691 PolarHBondContact NH2-OD1 3.33Å; F687-D691 PolarHBondContact O-N 3.11Å; F687-D691 VanDerWaalsContact O-N 3.17Å; L688-D691 PolarHBondContact O-N 3.1Å
692	C	97.4	Very high	95.8	Very high	25 Å²	25	44 Å²	44	17%	0.169	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.9	-174.1	-174.9	0	0	0	0	110	P556 C557 R686 F687 Y690	P556-C692 PolarHBondContact O-SG 2.81Å; C557-C692 WeakPolarHBondContact CA-SG 3.36Å; C557-C692 HydrophobicContact CB-CB 3.68Å; C557-C692 WeakPolarHBondContact CB-SG 3.25Å; C557-C692 WeakPolarHBondContact SG-CB 3.2Å; C557-C692 CovalentContact SG-SG 2.03Å; C557-C692 PolarHBondContact SG-SG 3.35Å; R686-C692 CarbonylContact C-O 3.53Å; R686-C692 WeakPolarHBondContact CA-O 3.37Å; F687-C692 PolarHBondContact N-O 3.14Å; F687-C692 PolarHBondContact O-N 2.91Å; Y690-C692 PolarHBondContact O-N 3.16Å; Y690-C692 VanDerWaalsContact O-N 3.1Å
693	S	96.3	Very high	96	Very high	47 Å²	47	42.8 Å²	42.8	33%	0.329	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.3	-176.4	-58.7	0	0	0	0	111.8	C685 R686	C685-S693 WeakPolarHBondContact O-CA 3.41Å; R686-S693 WeakPolarHBondContact CG-OG 3.45Å
694	I	96.3	Very high	96.3	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.046	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	92.2	174.8	-55.2	167.2	0	0	0	106.6	P556 V560 W562 G684 C685 F687 L703	P556-I694 HydrophobicContact CB-CD1 4.24Å; P556-I694 HydrophobicContact CB-CG1 4.18Å; P556-I694 HydrophobicContact CG-CD1 3.75Å; P556-I694 HydrophobicContact CG-CG1 4.22Å; V560-I694 HydrophobicContact CG1-CD1 3.97Å; W562-I694 HydrophobicContact CH2-CG2 4.42Å; W562-I694 HydrophobicContact CZ3-CG2 4.47Å; G684-I694 CarbonylContact C-O 3.54Å; G684-I694 WeakPolarHBondContact CA-O 3.15Å; C685-I694 PolarHBondContact N-O 3.48Å; C685-I694 PolarHBondContact O-N 3.16Å; F687-I694 HydrophobicContact CE2-CD1 3.96Å; I694-L703 HydrophobicContact CD1-CD1 3.77Å; I694-L703 HydrophobicContact CD1-CD2 3.55Å; I694-L703 HydrophobicContact CD1-CG 4.33Å; I694-L703 HydrophobicContact CG2-CD1 4.36Å
695	Q	90.7	Very high	96.5	Very high	129 Å²	129	42.5 Å²	42.5	60%	0.603	21%	0.207	S	C	*	.			trans	-92.7	-19.7	-171.2	-66.3	179.8	-16.3	0	0	113.8	P697 L716	Q695-P697 WeakPolarHBondContact O-CD 3.38Å; Q695-L716 HydrophobicContact CG-CD1 3.99Å
696	A	91.1	Very high	96.5	Very high	60 Å²	60	43.6 Å²	43.6	50%	0.496	21%	0.214	S	C	.	.	S	Bend	trans	-119.8	70.2	178.6	0	0	0	0	0	112.1	W562 V676	W562-A696 WeakPolarHBondContact CH2-O 3.33Å; V676-A696 HydrophobicContact CG1-CB 4.13Å
697	P	91	Very high	96.2	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.065	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-57.4	143.4	172.9	-20.8	32.7	0	0	0	111.6	A672 Q695	A672-P697 HydrophobicContact CB-CB 3.73Å; Q695-P697 WeakPolarHBondContact O-CD 3.38Å
698	R	96.8	Very high	95.9	Very high	68 Å²	68	45.3 Å²	45.3	26%	0.257	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-99.8	125.9	-178.7	-71.1	176	-79.2	-163.1	-10	107.3	E554 W562 G700 W701	E554-R698 IonicContact OE1-CZ 3.18Å; E554-R698 IonicContact OE1-NH1 3.3Å; E554-R698 PolarHBondContact OE1-NH1 2.6Å; E554-R698 IonicContact OE1-NH2 2.75Å; E554-R698 PolarHBondContact OE1-NH2 3Å; E554-R698 IonicContact OE2-CZ 3.99Å; E554-R698 IonicContact OE2-NH1 3.44Å; E554-R698 IonicContact OE2-NH2 3.07Å; E554-R698 PolarHBondContact OE2-NH2 3.24Å; W562-R698 HydrophobicContact CH2-CG 3.89Å; W562-R698 HydrophobicContact CZ2-CB 3.87Å; W562-R698 HydrophobicContact CZ2-CG 3.68Å; R698-G700 PolarHBondContact O-N 3.1Å; R698-W701 HydrophobicContact CB-CB 3.95Å; R698-W701 HydrophobicContact CB-CD2 4.26Å; R698-W701 HydrophobicContact CB-CG 3.64Å; R698-W701 VanDerWaalsContact NH1-CZ3 3.3Å; R698-W701 VanDerWaalsContact NH2-CE3 3.33Å; R698-W701 WeakPolarHBondContact O-CB 3.15Å; R698-W701 PolarHBondContact O-N 3.37Å
699	K	97.9	Very high	95.6	Very high	27 Å²	27	49.4 Å²	49.4	12%	0.117	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	134.4	176.5	-179.3	175.5	174.5	-172	0	110	D568 C571 D572 L673 Q675 W701	D568-K699 VanDerWaalsContact OD1-CD 3.25Å; D568-K699 WeakPolarHBondContact OD1-CD 3.49Å; D568-K699 WeakPolarHBondContact OD1-CE 3.43Å; D568-K699 IonicContact OD1-NZ 3.43Å; C571-K699 HydrophobicContact CB-CD 4.33Å; C571-K699 HydrophobicContact CB-CG 4.05Å; D572-K699 WeakPolarHBondContact OD1-CE 3.25Å; D572-K699 IonicContact OD1-NZ 3.33Å; D572-K699 PolarHBondContact OD1-NZ 3.05Å; D572-K699 IonicContact OD2-NZ 3.51Å; D572-K699 PolarHBondContact OD2-NZ 2.98Å; L673-K699 WeakPolarHBondContact O-CE 3.35Å; Q675-K699 HydrophobicContact CG-CB 3.68Å; Q675-K699 HydrophobicContact CG-CD 3.83Å; Q675-K699 HydrophobicContact CG-CG 4.37Å; K699-W701 PolarHBondContact O-N 3.46Å
700	G	97.8	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	-5.1	-178.1	0	0	0	0	0	115.8	L565 F566 C571 A672 R698	L565-G700 PolarHBondContact N-O 3.45Å; F566-G700 PolarHBondContact N-O 3.26Å; F566-G700 VanDerWaalsContact O-CA 3.24Å; F566-G700 WeakPolarHBondContact O-CA 3.31Å; C571-G700 VanDerWaalsContact SG-CA 3.52Å; A672-G700 PolarHBondContact O-N 3.49Å; R698-G700 PolarHBondContact O-N 3.1Å
701	W	98.3	Very high	95.5	Very high	32 Å²	32	41.2 Å²	41.2	12%	0.121	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.5	174.8	-70.7	53.1	0	0	0	111.4	H541 L552 W562 F563 P564 A672 R698 K699	H541-W701 AromaticContact NE2-NE1 3.83Å; L552-W701 WeakPolarHBondContact O-CZ3 3.36Å; W562-W701 HydrophobicContact CD2-CE3 4.4Å; W562-W701 HydrophobicContact CG-CE3 4.17Å; W562-W701 VanDerWaalsContact NE1-CB 3.32Å; F563-W701 VanDerWaalsContact C-CE3 3.42Å; F563-W701 CarbonylContact O-C 3.43Å; F563-W701 VanDerWaalsContact O-CA 3.28Å; F563-W701 WeakPolarHBondContact O-CA 2.99Å; P564-W701 HydrophobicContact CB-CD2 4.19Å; P564-W701 HydrophobicContact CB-CZ2 4.07Å; P564-W701 HydrophobicContact CG-CH2 4.37Å; P564-W701 HydrophobicContact CG-CZ2 4.19Å; A672-W701 PolarHBondContact N-O 2.8Å; R698-W701 HydrophobicContact CB-CB 3.95Å; R698-W701 HydrophobicContact CB-CD2 4.26Å; R698-W701 HydrophobicContact CB-CG 3.64Å; R698-W701 VanDerWaalsContact NH1-CZ3 3.3Å; R698-W701 VanDerWaalsContact NH2-CE3 3.33Å; R698-W701 WeakPolarHBondContact O-CB 3.15Å; R698-W701 PolarHBondContact O-N 3.37Å; K699-W701 PolarHBondContact O-N 3.46Å
702	A	98.3	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.4	-178.1	0	0	0	0	0	111.2	W562 F563 L565 I669 N670 I671	W562-A702 WeakPolarHBondContact CA-O 3.48Å; F563-A702 HydrophobicContact CD2-CB 4.42Å; F563-A702 HydrophobicContact CE1-CB 4.25Å; F563-A702 HydrophobicContact CE2-CB 3.97Å; F563-A702 HydrophobicContact CZ-CB 3.87Å; F563-A702 PolarHBondContact N-O 3.18Å; F563-A702 VanDerWaalsContact N-O 3.08Å; F563-A702 PolarHBondContact O-N 3.24Å; L565-A702 HydrophobicContact CB-CB 4.07Å; L565-A702 HydrophobicContact CD2-CB 3.68Å; I669-A702 HydrophobicContact CG2-CB 4.3Å; N670-A702 CarbonylContact O-C 3.51Å; N670-A702 WeakPolarHBondContact O-CA 3.37Å; I671-A702 HydrophobicContact CG1-CB 3.91Å
703	L	98.3	Very high	95.5	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.8	162.1	-65.9	174.9	0	0	0	109.4	V560 Y561 W562 I669 N670 I694	V560-L703 HydrophobicContact CG1-CD2 4.2Å; Y561-L703 CarbonylContact O-C 3.49Å; Y561-L703 WeakPolarHBondContact O-CA 3.39Å; W562-L703 HydrophobicContact CB-CD2 3.75Å; W562-L703 VanDerWaalsContact CD1-CD2 3.45Å; W562-L703 HydrophobicContact CD2-CD2 3.98Å; W562-L703 HydrophobicContact CG-CD2 3.46Å; W562-L703 VanDerWaalsContact CG-CD2 3.46Å; W562-L703 HydrophobicContact CG-CG 4.48Å; I669-L703 CarbonylContact C-O 3.59Å; I669-L703 WeakPolarHBondContact CA-O 3.35Å; N670-L703 HydrophobicContact CB-CB 4.3Å; N670-L703 PolarHBondContact N-O 2.92Å; N670-L703 PolarHBondContact O-N 2.87Å; I694-L703 HydrophobicContact CD1-CD1 3.77Å; I694-L703 HydrophobicContact CD1-CD2 3.55Å; I694-L703 HydrophobicContact CD1-CG 4.33Å; I694-L703 HydrophobicContact CG2-CD1 4.36Å
704	M	98.3	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.1	175	176.9	175.7	68.1	0	0	109.6	V560 Y561 F563 I628 T629 M632 F633 F667 T668 I669	V560-M704 WeakPolarHBondContact CA-O 3.36Å; Y561-M704 HydrophobicContact CD2-CE 3.8Å; Y561-M704 HydrophobicContact CG-CE 4.18Å; Y561-M704 PolarHBondContact N-O 2.93Å; Y561-M704 PolarHBondContact O-N 2.96Å; F563-M704 HydrophobicContact CE1-CB 3.87Å; F563-M704 HydrophobicContact CE1-CE 4.36Å; F563-M704 HydrophobicContact CE1-SD 4.47Å; I628-M704 HydrophobicContact CG2-CE 4.38Å; T629-M704 HydrophobicContact CG2-SD 3.92Å; T629-M704 PolarHBondContact OG1-SD 3.31Å; M632-M704 HydrophobicContact CB-CE 3.76Å; M632-M704 HydrophobicContact CG-CE 3.94Å; F633-M704 HydrophobicContact CD2-CE 4.26Å; F633-M704 HydrophobicContact CE2-CE 3.88Å; F633-M704 HydrophobicContact CE2-CG 4.33Å; F633-M704 HydrophobicContact CE2-SD 4.3Å; F667-M704 HydrophobicContact CD2-CG 4.06Å; F667-M704 HydrophobicContact CD2-SD 4.35Å; F667-M704 HydrophobicContact CE2-SD 4.48Å; T668-M704 WeakPolarHBondContact O-CA 3.33Å; I669-M704 HydrophobicContact CD1-CB 3.67Å; I669-M704 HydrophobicContact CD1-CG 3.7Å; I669-M704 HydrophobicContact CD1-SD 4.09Å
705	H	98.2	Very high	95.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.2	-179.9	60.6	84.7	0	0	0	111.6	V560 D663 F667 T668 F687 H713	V560-H705 HydrophobicContact CB-CB 4.41Å; V560-H705 HydrophobicContact CG1-CB 4.29Å; V560-H705 HydrophobicContact CG2-CB 3.9Å; D663-H705 IonicContact OD2-CE1 2.82Å; F667-H705 CarbonylContact C-O 3.58Å; F667-H705 VanDerWaalsContact CA-O 3.29Å; F667-H705 WeakPolarHBondContact CA-O 3.31Å; F667-H705 WeakPolarHBondContact CB-O 3.21Å; T668-H705 PolarHBondContact N-O 2.78Å; T668-H705 PolarHBondContact O-N 3.26Å; F687-H705 HydrophobicContact CE1-CB 4.12Å; F687-H705 AromaticContact CE1-CD2 3.84Å; F687-H705 AromaticContact CE1-CG 3.67Å; F687-H705 AromaticContact CE1-ND1 3.81Å; F687-H705 HydrophobicContact CZ-CB 4.23Å; F687-H705 AromaticContact CZ-CD2 3.59Å; F687-H705 AromaticContact CZ-CG 3.83Å; F687-H705 AromaticContact CZ-NE2 4Å; H705-H713 AromaticContact CE1-CE1 3.91Å
706	P	97.7	Very high	95.8	Very high	27 Å²	27	34.2 Å²	34.2	18%	0.175	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	142.1	169.5	-24.7	33.8	0	0	0	112.1	D559 T666 H711	D559-P706 WeakPolarHBondContact O-CD 3.26Å; T666-P706 WeakPolarHBondContact O-CA 3.34Å; P706-H711 VanDerWaalsContact CD-CE1 3.43Å; P706-H711 WeakPolarHBondContact CD-CE1 3.19Å; P706-H711 VanDerWaalsContact CG-CE1 3.47Å; P706-H711 WeakPolarHBondContact CG-CE1 3.35Å; P706-H711 VanDerWaalsContact O-CB 3.24Å; P706-H711 WeakPolarHBondContact O-CB 3.49Å
707	G	92.8	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.			trans	-88.4	-35.7	-178.9	0	0	0	0	0	114.1	H662 D663 S665 T666	H662-G707 PolarHBondContact ND1-O 3Å; D663-G707 PolarHBondContact N-O 3.18Å; S665-G707 WeakPolarHBondContact OG-CA 3.46Å; T666-G707 PolarHBondContact O-N 2.9Å
708	R	90.6	Very high	96.3	Very high	122 Å²	122	34.2 Å²	34.2	46%	0.46	17%	0.165	S	C	.	.	S	Bend	trans	-106.2	158.6	-174	-73.1	172.7	176.4	159	5.7	113.2	D663 S665 T710 P732	D663-R708 WeakPolarHBondContact O-CG 3.49Å; S665-R708 WeakPolarHBondContact O-CG 3.4Å; R708-T710 PolarHBondContact O-N 2.82Å; R708-P732 PolarHBondContact NH1-OXT 3.23Å; R708-P732 PolarHBondContact NH2-OXT 3.35Å
709	L	91.4	Very high	96.3	Very high	146 Å²	146	35.7 Å²	35.7	76%	0.764	18%	0.182	S	C	*	.	S	Bend	trans	64.2	-55	170.8	-173.6	68.1	0	0	0	116
710	T	93.4	Very high	96.2	Very high	39 Å²	39	36.4 Å²	36.4	24%	0.239	19%	0.193	C	C	.	.	S	Bend	trans	-106.5	-22.9	-162.9	51.1	0	0	0	0	114.6	R689 Y690 R708	R689-T710 VanDerWaalsContact CD-O 3.29Å; R689-T710 WeakPolarHBondContact CD-O 3.35Å; R689-T710 VanDerWaalsContact NH1-C 3.34Å; R689-T710 PolarHBondContact NH1-O 2.86Å; Y690-T710 PolarHBondContact OH-O 3.33Å; R708-T710 PolarHBondContact O-N 2.82Å
711	H	96.5	Very high	96.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.212	C	C	.	.			trans	-115.2	57	-173.7	-67.1	69.7	0	0	0	110.8	P558 F687 Y690 P706 H713	P558-H711 PolarHBondContact O-NE2 3.35Å; P558-H711 VanDerWaalsContact O-NE2 3.09Å; F687-H711 HydrophobicContact CD1-CB 3.93Å; F687-H711 AromaticContact CD1-CD2 3.86Å; F687-H711 HydrophobicContact CE1-CB 4.11Å; Y690-H711 AromaticContact CE2-CD2 3.69Å; Y690-H711 AromaticContact CE2-NE2 3.57Å; Y690-H711 PolarHBondContact OH-CE1 2.88Å; P706-H711 VanDerWaalsContact CD-CE1 3.43Å; P706-H711 WeakPolarHBondContact CD-CE1 3.19Å; P706-H711 VanDerWaalsContact CG-CE1 3.47Å; P706-H711 WeakPolarHBondContact CG-CE1 3.35Å; P706-H711 VanDerWaalsContact O-CB 3.24Å; P706-H711 WeakPolarHBondContact O-CB 3.49Å; H711-H713 PolarHBondContact O-N 3.16Å; H711-H713 PolarHBondContact O-ND1 3.41Å
712	Y	96.3	Very high	96.2	Very high	89 Å²	89	38.5 Å²	38.5	35%	0.349	22%	0.217	S	C	.	.			trans	-63.5	116.4	170.5	-164.8	-119.2	0	0	0	108.3	P660 H661 H662 L688	P660-Y712 VanDerWaalsContact C-CZ 3.49Å; P660-Y712 HydrophobicContact CB-CD1 4.09Å; P660-Y712 HydrophobicContact CB-CE1 3.33Å; P660-Y712 HydrophobicContact CB-CE2 4.44Å; P660-Y712 PolarHBondContact O-OH 3.38Å; H661-Y712 VanDerWaalsContact C-CE2 3.46Å; H661-Y712 WeakPolarHBondContact O-CA 3.47Å; H661-Y712 WeakPolarHBondContact O-CD2 3.23Å; H662-Y712 AromaticContact CD2-CD2 3.55Å; H662-Y712 AromaticContact CE1-CD2 3.91Å; H662-Y712 PolarHBondContact CE1-N 2.91Å; H662-Y712 AromaticContact CG-CD2 3.94Å; H662-Y712 AromaticContact NE2-CD2 3.54Å; L688-Y712 HydrophobicContact CB-CD1 4.47Å; L688-Y712 WeakPolarHBondContact CD1-O 3.48Å; L688-Y712 HydrophobicContact CD2-CD1 4.08Å; L688-Y712 HydrophobicContact CD2-CE1 4.24Å; L688-Y712 PolarHBondContact N-O 2.98Å
713	H	97.2	Very high	96.2	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.7	-166.1	70.5	-82.2	0	0	0	112.3	P660 H661 D663 R686 F687 H705 H711	P660-H713 CarbonylContact C-O 3.5Å; P660-H713 VanDerWaalsContact CA-O 3.24Å; P660-H713 WeakPolarHBondContact CA-O 3.41Å; H661-H713 AromaticContact CE1-NE2 3.54Å; H661-H713 PolarHBondContact N-O 3.26Å; H661-H713 PolarHBondContact ND1-O 3.02Å; H661-H713 AromaticContact NE2-CE1 3.78Å; H661-H713 AromaticContact NE2-NE2 3.46Å; H661-H713 PolarHBondContact NE2-NE2 2.82Å; H661-H713 PolarHBondContact O-N 3.34Å; D663-H713 IonicContact OD1-CE1 2.75Å; D663-H713 PolarHBondContact OD1-CE1 2.78Å; D663-H713 IonicContact OD1-NE2 2.74Å; D663-H713 IonicContact OD2-CE1 3.23Å; D663-H713 PolarHBondContact OD2-CE1 3.43Å; D663-H713 VanDerWaalsContact OD2-CE1 3.3Å; D663-H713 IonicContact OD2-NE2 3.94Å; R686-H713 CarbonylContact O-C 3.58Å; R686-H713 WeakPolarHBondContact O-CA 3.4Å; R686-H713 VanDerWaalsContact O-CB 3.3Å; R686-H713 WeakPolarHBondContact O-CB 3.47Å; F687-H713 HydrophobicContact CD1-CB 3.66Å; F687-H713 HydrophobicContact CE1-CB 3.91Å; F687-H713 HydrophobicContact CG-CB 4.32Å; H705-H713 AromaticContact CE1-CE1 3.91Å; H711-H713 PolarHBondContact O-N 3.16Å; H711-H713 PolarHBondContact O-ND1 3.41Å
714	E	96	Very high	96.2	Very high	40 Å²	40	39.6 Å²	39.6	19%	0.187	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.3	177.7	66.4	-177.5	179.7	0	0	111.5	P660 C685 R686 L688 L716	P660-E714 HydrophobicContact CB-CB 4.42Å; P660-E714 HydrophobicContact CG-CB 3.97Å; P660-E714 WeakPolarHBondContact CG-OE2 3.24Å; C685-E714 WeakPolarHBondContact CA-O 3.22Å; R686-E714 HydrophobicContact CB-CG 3.88Å; R686-E714 VanDerWaalsContact CD-OE1 3.28Å; R686-E714 WeakPolarHBondContact CD-OE1 3.23Å; R686-E714 PolarHBondContact N-O 2.92Å; R686-E714 IonicContact NH1-OE1 3.13Å; R686-E714 PolarHBondContact NH1-OE1 3.26Å; R686-E714 PolarHBondContact O-N 2.79Å; L688-E714 HydrophobicContact CD1-CB 4.09Å; L688-E714 HydrophobicContact CD1-CG 3.88Å; E714-L716 HydrophobicContact CG-CD2 4.42Å
715	G	96.2	Very high	96.2	Very high	9 Å²	9	39.8 Å²	39.8	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113	169.4	0	0	0	0	0	109.2	Y657 L658	Y657-G715 WeakPolarHBondContact CB-O 3.22Å; L658-G715 PolarHBondContact N-O 3.47Å; L658-G715 PolarHBondContact O-N 3.31Å
716	L	96.9	Very high	96.2	Very high	29 Å²	29	39.8 Å²	39.8	15%	0.152	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-64.9	150.8	-178.9	-66.3	176.6	0	0	0	111.2	G683 G684 R686 Q695 E714 T718	G683-L716 WeakPolarHBondContact CA-O 3.1Å; G683-L716 WeakPolarHBondContact O-CB 3.36Å; G684-L716 PolarHBondContact O-N 3.24Å; R686-L716 HydrophobicContact CB-CD1 4.49Å; R686-L716 HydrophobicContact CB-CD2 4.01Å; R686-L716 HydrophobicContact CB-CG 4.24Å; Q695-L716 HydrophobicContact CG-CD1 3.99Å; E714-L716 HydrophobicContact CG-CD2 4.42Å; L716-T718 PolarHBondContact O-N 2.81Å
717	P	96.4	Very high	96.2	Very high	68 Å²	68	39 Å²	39	44%	0.442	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-64.1	126.9	-176.1	-21.2	32	0	0	0	114	P656 G683	P656-P717 CarbonylContact O-C 3.59Å; P656-P717 WeakPolarHBondContact O-CA 3.43Å; G683-P717 PolarHBondContact N-O 2.55Å
718	T	97.4	Very high	96.4	Very high	2 Å²	2	39 Å²	39	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	118.4	163.2	-58	0	0	0	0	108.8	Y650 P656 Y680 Q681 L716 R723	Y650-T718 WeakPolarHBondContact CB-OG1 3.42Å; P656-T718 WeakPolarHBondContact CB-O 3.49Å; P656-T718 PolarHBondContact O-N 3.46Å; Y680-T718 HydrophobicContact CD2-CG2 4.4Å; Q681-T718 CarbonylContact O-C 3.54Å; Q681-T718 WeakPolarHBondContact O-CA 3.24Å; L716-T718 PolarHBondContact O-N 2.81Å; T718-R723 HydrophobicContact CG2-CB 4.22Å
719	T	96.6	Very high	96.7	Very high	98 Å²	98	34.3 Å²	34.3	60%	0.601	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	-18.3	-171.9	57.4	0	0	0	0	113.9	Q681	Q681-T719 PolarHBondContact O-N 3.27Å; Q681-T719 PolarHBondContact O-OG1 3.31Å
720	A	96.9	Very high	96.9	Very high	42 Å²	42	27.3 Å²	27.3	35%	0.347	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.5	173.2	0	0	0	0	0	110.5	Y680 Q681	Y680-A720 CarbonylContact C-O 3.56Å; Y680-A720 WeakPolarHBondContact CA-O 3.22Å; Y680-A720 WeakPolarHBondContact CB-O 3.24Å; Q681-A720 HydrophobicContact CB-CB 3.92Å; Q681-A720 HydrophobicContact CG-CB 3.91Å; Q681-A720 PolarHBondContact N-O 2.93Å
721	G	97.1	Very high	97	Very high	39 Å²	39	26.5 Å²	26.5	40%	0.402	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69.7	-156.4	179	0	0	0	0	0	113.3	P652 D679	P652-G721 VanDerWaalsContact CD-O 3.24Å; P652-G721 WeakPolarHBondContact CD-O 3.24Å; D679-G721 WeakPolarHBondContact O-CA 3.22Å
722	V	97.7	Very high	96.6	Very high	37 Å²	37	29.5 Å²	29.5	22%	0.224	18%	0.176	C	C	.	.			trans	-130.7	126.5	-177.3	-171.6	0	0	0	0	109.4	R649 K651 N674 D679 Y724	R649-V722 HydrophobicContact CG-CG1 3.46Å; R649-V722 VanDerWaalsContact CG-CG1 3.46Å; K651-V722 HydrophobicContact CD-CG1 4.22Å; K651-V722 HydrophobicContact CD-CG2 3.84Å; K651-V722 HydrophobicContact CG-CB 4.2Å; K651-V722 HydrophobicContact CG-CG1 3.73Å; K651-V722 HydrophobicContact CG-CG2 3.88Å; N674-V722 PolarHBondContact ND2-O 3.38Å; D679-V722 PolarHBondContact O-N 3.28Å; D679-V722 VanDerWaalsContact O-N 3.11Å; V722-Y724 HydrophobicContact CB-CE2 4.09Å; V722-Y724 HydrophobicContact CG1-CD2 4.24Å; V722-Y724 HydrophobicContact CG1-CE1 4.06Å; V722-Y724 HydrophobicContact CG1-CE2 3.54Å; V722-Y724 VanDerWaalsContact CG1-CZ 3.41Å; V722-Y724 WeakPolarHBondContact CG1-OH 3.48Å
723	R	98.1	Very high	96.7	Very high	6 Å²	6	26.5 Å²	26.5	2%	0.023	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127	177.7	175.4	-175.2	177.4	-153.7	-0.2	110.1	R649 Y650 Y680 G684 T718 I725	R649-R723 WeakPolarHBondContact CA-O 3.08Å; Y650-R723 PolarHBondContact N-O 2.98Å; Y650-R723 PolarHBondContact O-N 3.42Å; Y680-R723 HydrophobicContact CD1-CB 3.84Å; Y680-R723 HydrophobicContact CD1-CG 4.14Å; Y680-R723 HydrophobicContact CD2-CB 3.81Å; Y680-R723 HydrophobicContact CD2-CG 4.1Å; Y680-R723 HydrophobicContact CE1-CB 4.11Å; Y680-R723 HydrophobicContact CE1-CG 3.87Å; Y680-R723 HydrophobicContact CE2-CB 4.08Å; Y680-R723 HydrophobicContact CE2-CG 3.83Å; Y680-R723 HydrophobicContact CG-CB 3.68Å; Y680-R723 HydrophobicContact CG-CG 4.25Å; G684-R723 PolarHBondContact O-NH1 3.45Å; G684-R723 PolarHBondContact O-NH2 2.84Å; T718-R723 HydrophobicContact CG2-CB 4.22Å; R723-I725 HydrophobicContact CG-CG2 4.49Å
724	Y	98.4	Very high	96.6	Very high	25 Å²	25	27.3 Å²	27.3	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.6	174.1	-60.2	-83.2	0	0	0	111.5	V575 E579 W584 V647 V648 R649 L673 N674 V722	V575-Y724 HydrophobicContact CG1-CD1 4.34Å; V575-Y724 HydrophobicContact CG1-CD2 3.79Å; V575-Y724 HydrophobicContact CG1-CE1 4.25Å; V575-Y724 HydrophobicContact CG1-CE2 3.72Å; V575-Y724 HydrophobicContact CG1-CG 4.12Å; V575-Y724 HydrophobicContact CG2-CD2 4.08Å; V575-Y724 HydrophobicContact CG2-CG 3.93Å; E579-Y724 HydrophobicContact CG-CE1 4.41Å; E579-Y724 WeakPolarHBondContact OE1-CE1 3.27Å; E579-Y724 PolarHBondContact OE1-OH 2.64Å; W584-Y724 HydrophobicContact CH2-CD1 4.06Å; W584-Y724 AromaticContact CH2-CE1 3.87Å; W584-Y724 HydrophobicContact CH2-CE1 3.87Å; W584-Y724 AromaticContact CZ2-CE1 3.99Å; W584-Y724 HydrophobicContact CZ2-CE1 3.99Å; V647-Y724 HydrophobicContact CG1-CD1 4.47Å; V648-Y724 WeakPolarHBondContact O-CA 3.49Å; R649-Y724 HydrophobicContact CB-CD1 4Å; R649-Y724 HydrophobicContact CB-CE1 3.87Å; R649-Y724 VanDerWaalsContact CD-CE1 3.43Å; R649-Y724 HydrophobicContact CG-CD1 3.96Å; R649-Y724 HydrophobicContact CG-CE1 3.45Å; R649-Y724 VanDerWaalsContact CG-CE1 3.45Å; L673-Y724 PolarHBondContact N-O 2.94Å; N674-Y724 WeakPolarHBondContact ND2-CD2 3.45Å; N674-Y724 PolarHBondContact OD1-N 2.84Å; V722-Y724 HydrophobicContact CB-CE2 4.09Å; V722-Y724 HydrophobicContact CG1-CD2 4.24Å; V722-Y724 HydrophobicContact CG1-CE1 4.06Å; V722-Y724 HydrophobicContact CG1-CE2 3.54Å; V722-Y724 VanDerWaalsContact CG1-CZ 3.41Å; V722-Y724 WeakPolarHBondContact CG1-OH 3.48Å
725	I	98.3	Very high	96.7	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.5	171.3	60.3	172.1	0	0	0	110.3	V647 V648 Y650 I671 R723 V727	V647-I725 CarbonylContact C-O 3.57Å; V647-I725 WeakPolarHBondContact CA-O 3.29Å; V648-I725 HydrophobicContact CB-CD1 4.45Å; V648-I725 HydrophobicContact CB-CG1 3.87Å; V648-I725 HydrophobicContact CG2-CG1 4.34Å; V648-I725 PolarHBondContact N-O 3.08Å; V648-I725 PolarHBondContact O-N 2.9Å; V648-I725 VanDerWaalsContact O-N 3.13Å; Y650-I725 HydrophobicContact CE2-CD1 3.79Å; Y650-I725 HydrophobicContact CE2-CG1 4.09Å; I671-I725 CarbonylContact O-C 3.52Å; I671-I725 WeakPolarHBondContact O-CA 3.39Å; R723-I725 HydrophobicContact CG-CG2 4.49Å; I725-V727 HydrophobicContact CD1-CG2 3.65Å; I725-V727 HydrophobicContact CG1-CG2 3.91Å
726	A	98.3	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.1	167.1	0	0	0	0	0	109.1	L574 W617 V647 N670 I671 L673	L574-A726 HydrophobicContact CD2-CB 4.33Å; W617-A726 HydrophobicContact CH2-CB 3.78Å; W617-A726 HydrophobicContact CZ2-CB 4.13Å; V647-A726 HydrophobicContact CG2-CB 4.23Å; N670-A726 WeakPolarHBondContact CA-O 3.49Å; I671-A726 HydrophobicContact CB-CB 4.32Å; I671-A726 PolarHBondContact N-O 2.92Å; I671-A726 PolarHBondContact O-N 3.08Å; L673-A726 HydrophobicContact CD1-CB 4.1Å; L673-A726 HydrophobicContact CD2-CB 4.14Å; L673-A726 HydrophobicContact CG-CB 4.32Å
727	V	97.9	Very high	96.7	Very high	10 Å²	10	27.6 Å²	27.6	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.3	-177.6	-175.2	0	0	0	0	109.7	A645 F646 V648 T668 I669 I725 F729	A645-V727 WeakPolarHBondContact CA-O 3.45Å; F646-V727 HydrophobicContact CD2-CB 4.44Å; F646-V727 HydrophobicContact CE2-CB 4.01Å; F646-V727 HydrophobicContact CE2-CG1 4.45Å; F646-V727 HydrophobicContact CZ-CB 4.1Å; F646-V727 HydrophobicContact CZ-CG1 4.1Å; F646-V727 PolarHBondContact N-O 2.98Å; F646-V727 PolarHBondContact O-N 2.85Å; V648-V727 HydrophobicContact CG2-CG2 4.32Å; T668-V727 HydrophobicContact CG2-CG1 3.9Å; I669-V727 CarbonylContact O-C 3.58Å; I669-V727 VanDerWaalsContact O-CA 3.28Å; I669-V727 WeakPolarHBondContact O-CA 3.37Å; I725-V727 HydrophobicContact CD1-CG2 3.65Å; I725-V727 HydrophobicContact CG1-CG2 3.91Å; V727-F729 HydrophobicContact CG1-CD1 3.98Å; V727-F729 HydrophobicContact CG1-CE1 3.58Å; V727-F729 HydrophobicContact CG1-CZ 4.41Å
728	S	97.2	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.4	173	-57.4	0	0	0	0	110.6	W617 T668 I669	W617-S728 PolarHBondContact NE1-OG 3.1Å; T668-S728 WeakPolarHBondContact CA-O 3.38Å; I669-S728 PolarHBondContact N-O 2.82Å; I669-S728 PolarHBondContact O-N 2.9Å
729	F	95.9	Very high	96.6	Very high	24 Å²	24	26.5 Å²	26.5	11%	0.105	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	98.6	174.3	-69.8	-8.3	0	0	0	108.6	F642 L644 F646 D663 T668 V727	F642-F729 WeakPolarHBondContact CA-O 3.3Å; F642-F729 VanDerWaalsContact CB-O 3.26Å; F642-F729 WeakPolarHBondContact CB-O 3.24Å; L644-F729 HydrophobicContact CB-CB 4.48Å; L644-F729 HydrophobicContact CB-CD2 4.14Å; L644-F729 HydrophobicContact CD1-CD2 3.99Å; L644-F729 HydrophobicContact CD1-CE2 4.33Å; L644-F729 PolarHBondContact O-N 3.16Å; F646-F729 HydrophobicContact CE1-CD2 4.47Å; F646-F729 HydrophobicContact CE1-CE2 4.28Å; F646-F729 HydrophobicContact CE1-CZ 4.45Å; F646-F729 HydrophobicContact CZ-CE1 4.48Å; F646-F729 HydrophobicContact CZ-CE2 4.21Å; F646-F729 HydrophobicContact CZ-CZ 4.03Å; D663-F729 HydrophobicContact CB-CD1 3.86Å; D663-F729 HydrophobicContact CB-CE1 3.62Å; D663-F729 HydrophobicContact CB-CE2 4.35Å; D663-F729 HydrophobicContact CB-CG 4.34Å; D663-F729 HydrophobicContact CB-CZ 3.88Å; D663-F729 WeakPolarHBondContact OD1-CE1 3.31Å; D663-F729 VanDerWaalsContact OD1-CZ 3.31Å; D663-F729 WeakPolarHBondContact OD1-CZ 3.36Å; T668-F729 HydrophobicContact CG2-CD1 3.91Å; T668-F729 HydrophobicContact CG2-CE1 3.95Å; V727-F729 HydrophobicContact CG1-CD1 3.98Å; V727-F729 HydrophobicContact CG1-CE1 3.58Å; V727-F729 HydrophobicContact CG1-CZ 4.41Å
730	V	96.6	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.1	-168.5	-168	0	0	0	0	111.1	L621 A640 Q641 S665 T666 F667 I669	L621-V730 HydrophobicContact CD1-CG2 4.23Å; A640-V730 HydrophobicContact CB-CG1 4.19Å; Q641-V730 CarbonylContact O-C 3.53Å; Q641-V730 WeakPolarHBondContact O-CA 3.38Å; Q641-V730 WeakPolarHBondContact O-CG1 3.3Å; S665-V730 WeakPolarHBondContact CB-O 3.26Å; T666-V730 PolarHBondContact N-O 3.13Å; F667-V730 HydrophobicContact CD1-CB 4.2Å; F667-V730 HydrophobicContact CD1-CG1 4.44Å; F667-V730 HydrophobicContact CD2-CB 4.29Å; F667-V730 HydrophobicContact CE1-CB 3.73Å; F667-V730 HydrophobicContact CE1-CG1 3.53Å; F667-V730 HydrophobicContact CE2-CB 3.84Å; F667-V730 HydrophobicContact CE2-CG1 4.1Å; F667-V730 HydrophobicContact CE2-CG2 4.1Å; F667-V730 HydrophobicContact CG-CB 4.47Å; F667-V730 HydrophobicContact CZ-CB 3.55Å; F667-V730 HydrophobicContact CZ-CG1 3.34Å; F667-V730 HydrophobicContact CZ-CG2 4.17Å; F667-V730 PolarHBondContact N-O 3.23Å; F667-V730 PolarHBondContact O-N 2.87Å; I669-V730 HydrophobicContact CG1-CG2 4.36Å
731	D	95.6	Very high	96.6	Very high	22 Å²	22	19.3 Å²	19.3	12%	0.118	12%	0.122	C	C	.	.			trans	50.4	64.8	-172.8	-56.8	-31.1	0	0	0	111.9	Y636 T638 Q641 T666	Y636-D731 VanDerWaalsContact OH-CB 3.28Å; Y636-D731 WeakPolarHBondContact OH-CB 3.31Å; Y636-D731 PolarHBondContact OH-OD2 2.79Å; T638-D731 WeakPolarHBondContact CB-OD2 3.09Å; T638-D731 VanDerWaalsContact OG1-CG 3.29Å; T638-D731 PolarHBondContact OG1-OD1 3.43Å; T638-D731 PolarHBondContact OG1-OD2 2.92Å; Q641-D731 PolarHBondContact N-OD1 3.23Å; Q641-D731 PolarHBondContact O-N 3.25Å; T666-D731 VanDerWaalsContact CB-O 3.23Å; T666-D731 WeakPolarHBondContact CB-O 3.15Å; T666-D731 PolarHBondContact N-O 3.06Å; T666-D731 PolarHBondContact OG1-O 2.84Å
732	P	88.4	Confident	96.6	Very high	63 Å²	63	17.5 Å²	17.5	41%	0.409	10%	0.097	S	C	.	.			trans	-63.9	0	-176.9	27.1	-34.9	0	0	0	115.6	D643 A664 R708	D643-P732 HydrophobicContact CB-CG 4.17Å; D643-P732 WeakPolarHBondContact OD2-CG 3.46Å; A664-P732 VanDerWaalsContact O-CB 3.25Å; A664-P732 WeakPolarHBondContact O-CB 3.45Å; R708-P732 PolarHBondContact NH1-OXT 3.23Å; R708-P732 PolarHBondContact NH2-OXT 3.35Å

Retrieved 732 of 732 residues in 221.7 ms (Link to these results)

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