A0A087XYQ9_POEFO Loading...

Unk like zinc finger

AlphaFold DB , UniProt , Accession A0A087XYQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 764 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	33.2	Very low	33.1	Very low	236 Å²	236	138.5 Å²	138.5	100%	1.163	86%	0.855	S	S	*	*				0	124.2	0	-60.5	176.2	78	0	0	107.4
2	P	32.1	Very low	32.8	Very low	131 Å²	131	133.8 Å²	133.8	85%	0.851	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-76.5	154.8	-178.6	31.5	-34.2	0	0	0	112.2
3	S	28.2	Very low	33.4	Very low	118 Å²	118	132.8 Å²	132.8	83%	0.825	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-81.5	149.3	179.3	-168.3	0	0	0	0	111.9
4	V	35.4	Very low	34.6	Very low	137 Å²	137	134 Å²	134	83%	0.83	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-88	116.3	176.2	-175.3	0	0	0	0	109.6
5	S	30.7	Very low	36.8	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.7	135.9	-177.1	-65.2	0	0	0	0	113.2	T7	S5-T7 PolarHBondContact O-N 3.2Å; S5-T7 VanDerWaalsContact O-N 3.14Å
6	K	39.6	Very low	39.6	Very low	203 Å²	203	129.1 Å²	129.1	88%	0.883	78%	0.784	S	S	*	*			trans	-91.7	63.4	-164.3	-165.6	179.8	-178.9	179.1	0	113.2	A8	K6-A8 PolarHBondContact O-N 3.05Å
7	T	32.4	Very low	42.5	Very low	135 Å²	135	126.9 Å²	126.9	83%	0.828	76%	0.761	S	S	*	*			trans	-97.7	61.6	-174.5	-43.4	0	0	0	0	112.8	S5	S5-T7 PolarHBondContact O-N 3.2Å; S5-T7 VanDerWaalsContact O-N 3.14Å
8	A	34.6	Very low	45.2	Very low	102 Å²	102	125.9 Å²	125.9	84%	0.843	76%	0.758	S	S	*	*			trans	-141.9	48	179.9	0	0	0	0	0	112.2	K6	K6-A8 PolarHBondContact O-N 3.05Å
9	A	37.3	Very low	47.7	Very low	92 Å²	92	124.2 Å²	124.2	76%	0.76	75%	0.748	S	S	*	*			trans	-149.7	53.6	-171.8	0	0	0	0	0	113.8
10	N	28.6	Very low	50	Low	168 Å²	168	118.2 Å²	118.2	90%	0.898	71%	0.712	S	S	*	*			trans	-144.5	40	164.4	-144.8	8.9	0	0	0	114.9
11	A	32.4	Very low	52.2	Low	95 Å²	95	117.8 Å²	117.8	79%	0.785	70%	0.698	S	S	*	*			trans	-106.1	106.4	153.3	0	0	0	0	0	107
12	S	29.6	Very low	55.2	Low	82 Å²	82	109 Å²	109	57%	0.573	66%	0.659	S	S	*	*			trans	-61.5	138.6	168.6	53.6	0	0	0	0	108.7	Q14	S12-Q14 PolarHBondContact O-N 2.9Å
13	P	39.8	Very low	58.3	Low	121 Å²	121	104.4 Å²	104.4	79%	0.786	62%	0.624	S	S	*	*			trans	-70.1	88.1	176.4	28.7	-33.5	0	0	0	108.7	T15	P13-T15 PolarHBondContact O-N 3.26Å
14	Q	49.8	Very low	61.5	Low	150 Å²	150	99.1 Å²	99.1	70%	0.701	59%	0.587	S	S	*	*			trans	-49.6	108.5	170.8	-77.6	-76.4	-40.7	0	0	108.2	S12 E16	S12-Q14 PolarHBondContact O-N 2.9Å; Q14-E16 PolarHBondContact O-N 3.24Å
15	T	67.4	Low	64.4	Low	129 Å²	129	96 Å²	96	79%	0.791	56%	0.562	S	S	*	*			trans	-65	112.1	-177.5	24.4	0	0	0	0	108.7	P13 K17	P13-T15 PolarHBondContact O-N 3.26Å; T15-K17 PolarHBondContact O-N 3.47Å
16	E	83.1	Confident	67.6	Low	61 Å²	61	94 Å²	94	29%	0.285	54%	0.541	S	S	.	.			trans	-47.9	122.7	179.7	-172.1	70.9	-99.7	0	0	109.7	Q14 H20 Y21 L24 R144	Q14-E16 PolarHBondContact O-N 3.24Å; E16-H20 HydrophobicContact CG-CB 4.46Å; E16-H20 WeakPolarHBondContact OE1-CB 3.45Å; E16-Y21 HydrophobicContact CG-CD2 4.23Å; E16-L24 HydrophobicContact CG-CD1 4.17Å; E16-L24 WeakPolarHBondContact OE2-CD1 3.47Å; E16-R144 WeakPolarHBondContact OE1-CD 3.47Å; E16-R144 IonicContact OE1-CZ 3.79Å; E16-R144 IonicContact OE1-NE 2.79Å; E16-R144 PolarHBondContact OE1-NE 2.71Å; E16-R144 IonicContact OE2-CZ 2.9Å; E16-R144 VanDerWaalsContact OE2-CZ 3.22Å; E16-R144 IonicContact OE2-NE 3.73Å; E16-R144 PolarHBondContact OE2-NE 2.76Å; E16-R144 IonicContact OE2-NH2 3.54Å; E16-R144 PolarHBondContact OE2-NH2 3.28Å
17	K	88.9	Confident	70.3	Confident	92 Å²	92	84.6 Å²	84.6	40%	0.4	50%	0.5	S	S	.	.			trans	-59.7	138.5	-172.1	-60.5	-167.7	-179.5	-166.9	0	109.1	T15 T19 H20 Y21 H141	T15-K17 PolarHBondContact O-N 3.47Å; K17-T19 PolarHBondContact O-N 3.13Å; K17-T19 VanDerWaalsContact O-N 3.08Å; K17-H20 HydrophobicContact CB-CB 4.17Å; K17-H20 CarbonylContact O-C 3.3Å; K17-H20 WeakPolarHBondContact O-CA 3.46Å; K17-H20 WeakPolarHBondContact O-CB 3.44Å; K17-H20 PolarHBondContact O-N 2.83Å; K17-Y21 PolarHBondContact O-N 3.13Å; K17-H141 PolarHBondContact NZ-O 2.78Å
18	P	91.1	Very high	73.4	Confident	108 Å²	108	79 Å²	79	70%	0.701	46%	0.464	S	S	*	.	H	α-helix	trans	-52	-41.4	-173.3	-30.3	35.6	0	0	0	113.5	Y21 T22	P18-Y21 PolarHBondContact O-N 2.99Å; P18-T22 PolarHBondContact O-N 3.35Å; P18-T22 PolarHBondContact O-OG1 3.31Å
19	T	91.3	Very high	76.3	Confident	93 Å²	93	74.8 Å²	74.8	57%	0.571	43%	0.427	S	S	*	.	H	α-helix	trans	-63.2	-46.7	173.7	51.6	0	0	0	0	112.8	K17 Y21 T22 Y23	K17-T19 PolarHBondContact O-N 3.13Å; K17-T19 VanDerWaalsContact O-N 3.08Å; T19-Y21 VanDerWaalsContact C-N 3.34Å; T19-Y21 PolarHBondContact O-N 3.19Å; T19-T22 PolarHBondContact O-N 3.43Å; T19-Y23 WeakPolarHBondContact O-CD2 3.31Å; T19-Y23 PolarHBondContact O-N 2.88Å
20	H	95.1	Very high	79.2	Confident	5 Å²	5	75.8 Å²	75.8	2%	0.023	42%	0.416	C	S	.	.	H	α-helix	trans	-62.3	-42	177	-68.2	-176.7	0	0	0	111.5	E16 K17 Y23 L24 Y112 D142	E16-H20 HydrophobicContact CG-CB 4.46Å; E16-H20 WeakPolarHBondContact OE1-CB 3.45Å; K17-H20 HydrophobicContact CB-CB 4.17Å; K17-H20 CarbonylContact O-C 3.3Å; K17-H20 WeakPolarHBondContact O-CA 3.46Å; K17-H20 WeakPolarHBondContact O-CB 3.44Å; K17-H20 PolarHBondContact O-N 2.83Å; H20-Y23 PolarHBondContact O-N 3.41Å; H20-L24 WeakPolarHBondContact O-CB 3.45Å; H20-L24 VanDerWaalsContact O-CG 3.3Å; H20-L24 WeakPolarHBondContact O-CG 3.5Å; H20-L24 PolarHBondContact O-N 3.39Å; H20-Y112 HydrophobicContact CB-CE1 4.09Å; H20-D142 IonicContact CD2-OD1 2.82Å; H20-D142 PolarHBondContact CE1-O 2.85Å; H20-D142 IonicContact CE1-OD1 2.71Å; H20-D142 IonicContact NE2-OD1 2.64Å; H20-D142 PolarHBondContact NE2-OD1 3.05Å
21	Y	94.9	Very high	82.4	Confident	109 Å²	109	71.4 Å²	71.4	43%	0.427	39%	0.39	S	S	.	.	H	α-helix	trans	-60.8	-46.8	176.1	-176.7	-99.2	0	0	0	112.3	E16 K17 P18 T19 Y23 L24 K25	E16-Y21 HydrophobicContact CG-CD2 4.23Å; K17-Y21 PolarHBondContact O-N 3.13Å; P18-Y21 PolarHBondContact O-N 2.99Å; T19-Y21 VanDerWaalsContact C-N 3.34Å; T19-Y21 PolarHBondContact O-N 3.19Å; Y21-Y23 PolarHBondContact O-N 2.89Å; Y21-L24 PolarHBondContact O-N 3.26Å; Y21-K25 HydrophobicContact CE1-CB 4.45Å; Y21-K25 HydrophobicContact CE1-CD 3.72Å; Y21-K25 WeakPolarHBondContact O-CB 3.26Å; Y21-K25 PolarHBondContact O-N 2.91Å
22	T	96.1	Very high	85.4	Confident	53 Å²	53	67 Å²	67	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-57.9	-46	176.1	-66.1	0	0	0	0	111.9	P18 T19 K25 E26 F49	P18-T22 PolarHBondContact O-N 3.35Å; P18-T22 PolarHBondContact O-OG1 3.31Å; T19-T22 PolarHBondContact O-N 3.43Å; T22-K25 PolarHBondContact O-N 3.35Å; T22-E26 WeakPolarHBondContact O-CB 3.49Å; T22-E26 PolarHBondContact O-N 2.92Å; T22-F49 HydrophobicContact CG2-CE2 4.47Å; T22-F49 HydrophobicContact CG2-CZ 3.84Å
23	Y	97	Very high	88.6	Confident	33 Å²	33	66.8 Å²	66.8	13%	0.129	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-44.6	175.7	-87.1	-87	0	0	0	112.6	T19 H20 Y21 K25 F27 F49 R58 Y107 Y112 L132 H133	T19-Y23 WeakPolarHBondContact O-CD2 3.31Å; T19-Y23 PolarHBondContact O-N 2.88Å; H20-Y23 PolarHBondContact O-N 3.41Å; Y21-Y23 PolarHBondContact O-N 2.89Å; Y23-K25 VanDerWaalsContact C-N 3.31Å; Y23-K25 PolarHBondContact O-N 3.19Å; Y23-F27 HydrophobicContact CD1-CB 3.76Å; Y23-F27 AromaticContact CD1-CD2 3.82Å; Y23-F27 HydrophobicContact CD1-CD2 3.82Å; Y23-F27 AromaticContact CD1-CG 3.81Å; Y23-F27 HydrophobicContact CD1-CG 3.81Å; Y23-F27 AromaticContact CE1-CD2 3.72Å; Y23-F27 HydrophobicContact CE1-CD2 3.72Å; Y23-F27 HydrophobicContact CE1-CE2 4.19Å; Y23-F27 HydrophobicContact CE1-CG 4.19Å; Y23-F27 HydrophobicContact CG-CB 4.47Å; Y23-F27 VanDerWaalsContact O-CB 3.28Å; Y23-F27 WeakPolarHBondContact O-CB 3.32Å; Y23-F27 PolarHBondContact O-N 3.24Å; Y23-F49 AromaticContact CD1-CE2 3.91Å; Y23-F49 HydrophobicContact CD1-CE2 3.91Å; Y23-F49 HydrophobicContact CD2-CE2 4.37Å; Y23-F49 HydrophobicContact CE1-CD2 4.22Å; Y23-F49 AromaticContact CE1-CE2 3.8Å; Y23-F49 HydrophobicContact CE1-CE2 3.8Å; Y23-F49 HydrophobicContact CE2-CE2 4.28Å; Y23-F49 HydrophobicContact CG-CE2 4.21Å; Y23-R58 PolarHBondContact O-NH1 3.22Å; Y23-Y107 HydrophobicContact CD1-CD1 4.17Å; Y23-Y107 AromaticContact CD1-CE1 3.73Å; Y23-Y107 HydrophobicContact CD1-CE1 3.73Å; Y23-Y107 HydrophobicContact CE1-CE1 4.29Å; Y23-Y112 WeakPolarHBondContact CB-OH 3.36Å; Y23-L132 PolarHBondContact OH-O 3.49Å; Y23-H133 HydrophobicContact CE1-CB 4.28Å; Y23-H133 AromaticContact CE1-ND1 3.53Å; Y23-H133 AromaticContact CZ-ND1 3.64Å; Y23-H133 PolarHBondContact OH-ND1 2.89Å
24	L	96.7	Very high	91.2	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-62.6	-36.1	177.4	-76	166.3	0	0	0	112.7	E16 H20 Y21 R58 L109 Y112	E16-L24 HydrophobicContact CG-CD1 4.17Å; E16-L24 WeakPolarHBondContact OE2-CD1 3.47Å; H20-L24 WeakPolarHBondContact O-CB 3.45Å; H20-L24 VanDerWaalsContact O-CG 3.3Å; H20-L24 WeakPolarHBondContact O-CG 3.5Å; H20-L24 PolarHBondContact O-N 3.39Å; Y21-L24 PolarHBondContact O-N 3.26Å; L24-R58 PolarHBondContact O-NH2 2.9Å; L24-L109 HydrophobicContact CD1-CD2 4.11Å; L24-L109 HydrophobicContact CD2-CD2 4.01Å; L24-L109 HydrophobicContact CD2-CG 4.49Å; L24-Y112 HydrophobicContact CD1-CD1 4.19Å; L24-Y112 HydrophobicContact CD2-CD1 3.9Å; L24-Y112 HydrophobicContact CD2-CG 4.03Å; L24-Y112 HydrophobicContact CG-CD1 3.77Å; L24-Y112 HydrophobicContact CG-CE1 4.38Å; L24-Y112 HydrophobicContact CG-CG 4.36Å
25	K	96.4	Very high	93.3	Very high	72 Å²	72	59.9 Å²	59.9	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-84.4	-41.9	-177.2	-176.8	-166.5	162.8	-153	0	113.6	Y21 T22 Y23 T29	Y21-K25 HydrophobicContact CE1-CB 4.45Å; Y21-K25 HydrophobicContact CE1-CD 3.72Å; Y21-K25 WeakPolarHBondContact O-CB 3.26Å; Y21-K25 PolarHBondContact O-N 2.91Å; T22-K25 PolarHBondContact O-N 3.35Å; Y23-K25 VanDerWaalsContact C-N 3.31Å; Y23-K25 PolarHBondContact O-N 3.19Å; K25-T29 WeakPolarHBondContact O-CG2 3.23Å
26	E	96.7	Very high	94.5	Very high	64 Å²	64	58.8 Å²	58.8	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-127.6	-18.2	-158.1	-60.7	168.5	-178.5	0	0	114.7	T22 R28 T29 F49	T22-E26 WeakPolarHBondContact O-CB 3.49Å; T22-E26 PolarHBondContact O-N 2.92Å; E26-R28 PolarHBondContact O-N 3.03Å; E26-R28 VanDerWaalsContact O-N 3.08Å; E26-T29 PolarHBondContact O-N 3.09Å; E26-T29 VanDerWaalsContact O-N 3.17Å; E26-T29 PolarHBondContact O-OG1 3.25Å; E26-F49 VanDerWaalsContact C-CE1 3.5Å; E26-F49 HydrophobicContact CB-CE1 3.74Å; E26-F49 HydrophobicContact CB-CZ 4.19Å
27	F	97.4	Very high	95.1	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.018	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	118.6	-177.7	-179.3	-102.1	0	0	0	111.1	Y23 T29 F49 R58 T103 Y107 H133	Y23-F27 HydrophobicContact CD1-CB 3.76Å; Y23-F27 AromaticContact CD1-CD2 3.82Å; Y23-F27 HydrophobicContact CD1-CD2 3.82Å; Y23-F27 AromaticContact CD1-CG 3.81Å; Y23-F27 HydrophobicContact CD1-CG 3.81Å; Y23-F27 AromaticContact CE1-CD2 3.72Å; Y23-F27 HydrophobicContact CE1-CD2 3.72Å; Y23-F27 HydrophobicContact CE1-CE2 4.19Å; Y23-F27 HydrophobicContact CE1-CG 4.19Å; Y23-F27 HydrophobicContact CG-CB 4.47Å; Y23-F27 VanDerWaalsContact O-CB 3.28Å; Y23-F27 WeakPolarHBondContact O-CB 3.32Å; Y23-F27 PolarHBondContact O-N 3.24Å; F27-T29 PolarHBondContact O-N 3.19Å; F27-F49 HydrophobicContact CB-CE1 4.35Å; F27-F49 HydrophobicContact CB-CE2 4Å; F27-F49 HydrophobicContact CB-CZ 3.83Å; F27-F49 AromaticContact CD2-CD2 3.62Å; F27-F49 HydrophobicContact CD2-CD2 3.62Å; F27-F49 AromaticContact CD2-CE2 3.76Å; F27-F49 HydrophobicContact CD2-CE2 3.76Å; F27-F49 HydrophobicContact CD2-CG 4.07Å; F27-F49 HydrophobicContact CD2-CZ 4.33Å; F27-F49 HydrophobicContact CE2-CD2 4.35Å; F27-F49 HydrophobicContact CG-CE2 4.38Å; F27-R58 WeakPolarHBondContact O-CD 3.46Å; F27-R58 PolarHBondContact O-NH1 2.88Å; F27-T103 HydrophobicContact CE1-CG2 4.09Å; F27-Y107 AromaticContact CD1-CD1 3.78Å; F27-Y107 HydrophobicContact CD1-CD1 3.78Å; F27-Y107 AromaticContact CD1-CD2 3.94Å; F27-Y107 HydrophobicContact CD1-CD2 3.94Å; F27-Y107 AromaticContact CD1-CE1 3.55Å; F27-Y107 HydrophobicContact CD1-CE1 3.55Å; F27-Y107 AromaticContact CD1-CE2 3.73Å; F27-Y107 HydrophobicContact CD1-CE2 3.73Å; F27-Y107 AromaticContact CD1-CG 3.96Å; F27-Y107 HydrophobicContact CD1-CG 3.96Å; F27-Y107 AromaticContact CD1-CZ 3.49Å; F27-Y107 VanDerWaalsContact CD1-CZ 3.49Å; F27-Y107 HydrophobicContact CE1-CD1 4.38Å; F27-Y107 HydrophobicContact CE1-CD2 4.04Å; F27-Y107 AromaticContact CE1-CE1 3.78Å; F27-Y107 HydrophobicContact CE1-CE1 3.78Å; F27-Y107 AromaticContact CE1-CE2 3.4Å; F27-Y107 HydrophobicContact CE1-CE2 3.4Å; F27-Y107 VanDerWaalsContact CE1-CE2 3.4Å; F27-Y107 HydrophobicContact CE1-CG 4.48Å; F27-Y107 AromaticContact CE1-CZ 3.22Å; F27-Y107 VanDerWaalsContact CE1-OH 3.27Å; F27-Y107 WeakPolarHBondContact CE1-OH 3.4Å; F27-Y107 HydrophobicContact CG-CD1 4.31Å; F27-Y107 HydrophobicContact CG-CE1 4.05Å; F27-Y107 HydrophobicContact CZ-CE1 4.44Å; F27-Y107 HydrophobicContact CZ-CE2 4.36Å; F27-Y107 AromaticContact CZ-CZ 3.87Å; F27-Y107 WeakPolarHBondContact CZ-OH 3.44Å; F27-H133 HydrophobicContact CE2-CB 4.17Å; F27-H133 AromaticContact CE2-CD2 3.84Å; F27-H133 AromaticContact CE2-CE1 3.96Å; F27-H133 AromaticContact CE2-CG 3.71Å; F27-H133 AromaticContact CE2-ND1 3.79Å; F27-H133 AromaticContact CE2-NE2 4Å; F27-H133 HydrophobicContact CZ-CB 4.21Å
28	R	96.3	Very high	95.2	Very high	19 Å²	19	64.5 Å²	64.5	7%	0.072	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	23.2	-177	-60.8	-68.9	176.6	84.9	0.4	115.2	E26 F46 C48 F49 H50 W51 R57 R58	E26-R28 PolarHBondContact O-N 3.03Å; E26-R28 VanDerWaalsContact O-N 3.08Å; R28-F46 PolarHBondContact NH2-O 2.94Å; R28-C48 VanDerWaalsContact CZ-O 3.26Å; R28-C48 PolarHBondContact NE-O 3.4Å; R28-C48 PolarHBondContact NH2-O 2.84Å; R28-F49 PolarHBondContact N-O 2.92Å; R28-H50 VanDerWaalsContact CD-C 3.47Å; R28-H50 VanDerWaalsContact CD-O 3.32Å; R28-H50 WeakPolarHBondContact CD-O 3.45Å; R28-H50 PolarHBondContact NE-O 3.36Å; R28-W51 VanDerWaalsContact O-CD1 3.29Å; R28-R57 WeakPolarHBondContact O-CA 3.31Å; R28-R58 HydrophobicContact CB-CB 4.2Å; R28-R58 PolarHBondContact O-N 3.25Å
29	T	96.9	Very high	95.3	Very high	12 Å²	12	65.6 Å²	65.6	7%	0.074	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-42.5	171.4	67.8	0	0	0	0	112	K25 E26 F27 W51 R58 R60	K25-T29 WeakPolarHBondContact O-CG2 3.23Å; E26-T29 PolarHBondContact O-N 3.09Å; E26-T29 VanDerWaalsContact O-N 3.17Å; E26-T29 PolarHBondContact O-OG1 3.25Å; F27-T29 PolarHBondContact O-N 3.19Å; T29-W51 VanDerWaalsContact O-CD1 3.26Å; T29-W51 PolarHBondContact O-NE1 3.36Å; T29-R58 WeakPolarHBondContact CA-O 3.28Å; T29-R60 HydrophobicContact CG2-CB 4.35Å
30	E	96.6	Very high	95.4	Very high	113 Å²	113	62 Å²	62	53%	0.528	30%	0.299	S	S	.	.	S	Bend	trans	-98.3	149.3	-177.8	-49.4	-39.9	121.9	0	0	113.1	H50 W51	E30-H50 WeakPolarHBondContact O-CA 3.25Å; E30-H50 VanDerWaalsContact O-CB 3.3Å; E30-H50 WeakPolarHBondContact O-CB 3.39Å; E30-W51 PolarHBondContact O-N 3.31Å
31	Q	96.3	Very high	95.3	Very high	76 Å²	76	67.8 Å²	67.8	36%	0.355	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-73.8	145.6	176.9	-163.2	171.9	26	0	0	111	P33 W51	Q31-P33 WeakPolarHBondContact O-CD 3.26Å; Q31-W51 CarbonylContact C-O 3.5Å; Q31-W51 WeakPolarHBondContact CA-O 3.44Å; Q31-W51 HydrophobicContact CB-CD2 4.04Å; Q31-W51 HydrophobicContact CB-CE3 4.24Å; Q31-W51 HydrophobicContact CB-CH2 3.85Å; Q31-W51 HydrophobicContact CB-CZ2 3.61Å; Q31-W51 HydrophobicContact CB-CZ3 4.16Å; Q31-W51 HydrophobicContact CG-CD2 4.1Å; Q31-W51 HydrophobicContact CG-CE3 3.81Å; Q31-W51 HydrophobicContact CG-CH2 3.75Å; Q31-W51 HydrophobicContact CG-CZ2 4.04Å; Q31-W51 HydrophobicContact CG-CZ3 3.63Å; Q31-W51 VanDerWaalsContact NE2-CZ3 3.35Å
32	C	96.8	Very high	95	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.02	33%	0.334	C	S	.	.			trans	-75.8	111.3	178.7	-175.6	0	0	0	0	111.6	L34 F35 L36 C48 H50 W51 H52	C32-L34 PolarHBondContact O-N 3.23Å; C32-F35 HydrophobicContact CB-CB 3.71Å; C32-F35 WeakPolarHBondContact O-CB 3.4Å; C32-F35 PolarHBondContact O-N 2.94Å; C32-F35 PolarHBondContact SG-N 3.12Å; C32-L36 PolarHBondContact O-N 3.35Å; C32-C48 VanDerWaalsContact SG-SG 3.65Å; C32-H50 HydrophobicContact CB-CB 3.69Å; C32-W51 PolarHBondContact N-O 2.76Å; C32-H52 VanDerWaalsContact CB-CD2 3.41Å; C32-H52 WeakPolarHBondContact CB-CD2 3.25Å
33	P	95.9	Very high	94.3	Very high	77 Å²	77	66 Å²	66	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-67.8	-26.5	-179.4	28.6	-35.5	0	0	0	112.3	Q31 F35	Q31-P33 WeakPolarHBondContact O-CD 3.26Å; P33-F35 VanDerWaalsContact C-N 3.34Å
34	L	94.6	Very high	93.5	Very high	90 Å²	90	73.9 Å²	73.9	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-73.4	-26.4	174	-60.8	179.5	0	0	0	112.2	C32 Q37 H38 K39 C40	C32-L34 PolarHBondContact O-N 3.23Å; L34-Q37 PolarHBondContact O-N 3.18Å; L34-H38 PolarHBondContact O-N 3.01Å; L34-K39 CarbonylContact O-C 3.57Å; L34-K39 WeakPolarHBondContact O-CA 3.46Å; L34-K39 PolarHBondContact O-N 3.5Å; L34-C40 HydrophobicContact CB-CB 4Å; L34-C40 PolarHBondContact O-N 3.33Å; L34-C40 VanDerWaalsContact O-N 3.12Å
35	F	94.5	Very high	92.6	Very high	36 Å²	36	78.1 Å²	78.1	16%	0.158	38%	0.384	C	S	.	.	H	α-helix	trans	-73.1	-40.4	176.9	-179.3	-107.6	0	0	0	111.3	C32 P33 Q37 H38 C40 H52 F53	C32-F35 HydrophobicContact CB-CB 3.71Å; C32-F35 WeakPolarHBondContact O-CB 3.4Å; C32-F35 PolarHBondContact O-N 2.94Å; C32-F35 PolarHBondContact SG-N 3.12Å; P33-F35 VanDerWaalsContact C-N 3.34Å; F35-Q37 PolarHBondContact O-N 2.81Å; F35-Q37 VanDerWaalsContact O-N 3.17Å; F35-H38 WeakPolarHBondContact O-CA 3.4Å; F35-H38 PolarHBondContact O-N 2.85Å; F35-C40 HydrophobicContact CB-CB 4.02Å; F35-H52 HydrophobicContact CD1-CB 3.61Å; F35-H52 AromaticContact CD1-CG 3.88Å; F35-H52 HydrophobicContact CD2-CB 4.05Å; F35-H52 AromaticContact CD2-CE1 3.65Å; F35-H52 AromaticContact CD2-CG 3.63Å; F35-H52 AromaticContact CD2-ND1 3.12Å; F35-H52 WeakPolarHBondContact CD2-ND1 3.41Å; F35-H52 HydrophobicContact CE1-CB 3.69Å; F35-H52 WeakPolarHBondContact CE1-O 3.3Å; F35-H52 HydrophobicContact CE2-CB 4.11Å; F35-H52 AromaticContact CE2-ND1 3.56Å; F35-H52 HydrophobicContact CG-CB 3.79Å; F35-H52 AromaticContact CG-CD2 3.98Å; F35-H52 AromaticContact CG-CE1 3.97Å; F35-H52 AromaticContact CG-CG 3.51Å; F35-H52 AromaticContact CG-ND1 3.51Å; F35-H52 HydrophobicContact CZ-CB 3.94Å; F35-F53 HydrophobicContact CE1-CE1 4.12Å; F35-F53 HydrophobicContact CE1-CZ 4.37Å; F35-F53 AromaticContact CZ-CE1 3.82Å; F35-F53 HydrophobicContact CZ-CE1 3.82Å; F35-F53 HydrophobicContact CZ-CE2 4.36Å; F35-F53 AromaticContact CZ-CZ 3.69Å; F35-F53 HydrophobicContact CZ-CZ 3.69Å
36	L	93	Very high	91.9	Very high	107 Å²	107	79.9 Å²	79.9	56%	0.56	39%	0.391	S	S	*	.	H	α-helix	trans	-58.2	-25.7	171.9	-65.4	175.3	0	0	0	113.1	C32	C32-L36 PolarHBondContact O-N 3.35Å
37	Q	94.1	Very high	91.6	Very high	100 Å²	100	79.1 Å²	79.1	47%	0.467	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.4	174.9	-61.9	-178.3	35.8	0	0	113.7	L34 F35 K39	L34-Q37 PolarHBondContact O-N 3.18Å; F35-Q37 PolarHBondContact O-N 2.81Å; F35-Q37 VanDerWaalsContact O-N 3.17Å; Q37-K39 HydrophobicContact CB-CB 4.44Å; Q37-K39 HydrophobicContact CB-CD 3.89Å; Q37-K39 HydrophobicContact CB-CG 4.16Å; Q37-K39 WeakPolarHBondContact O-CG 3.24Å; Q37-K39 PolarHBondContact O-N 3.29Å; Q37-K39 VanDerWaalsContact O-N 3.16Å
38	H	90.8	Very high	91.5	Very high	173 Å²	173	79.2 Å²	79.2	80%	0.801	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	20	-171	-60.3	-92.4	0	0	0	115.3	L34 F35	L34-H38 PolarHBondContact O-N 3.01Å; F35-H38 WeakPolarHBondContact O-CA 3.4Å; F35-H38 PolarHBondContact O-N 2.85Å
39	K	94.1	Very high	91.5	Very high	131 Å²	131	80.1 Å²	80.1	57%	0.57	40%	0.397	S	S	*	.			trans	-100.5	-2.1	-177.9	-68.1	168.5	-166.1	170.3	0	114.3	L34 Q37 T41	L34-K39 CarbonylContact O-C 3.57Å; L34-K39 WeakPolarHBondContact O-CA 3.46Å; L34-K39 PolarHBondContact O-N 3.5Å; Q37-K39 HydrophobicContact CB-CB 4.44Å; Q37-K39 HydrophobicContact CB-CD 3.89Å; Q37-K39 HydrophobicContact CB-CG 4.16Å; Q37-K39 WeakPolarHBondContact O-CG 3.24Å; Q37-K39 PolarHBondContact O-N 3.29Å; Q37-K39 VanDerWaalsContact O-N 3.16Å; K39-T41 PolarHBondContact O-N 3.18Å
40	C	93.9	Very high	91.4	Very high	18 Å²	18	82.6 Å²	82.6	12%	0.122	41%	0.408	C	S	.	.			trans	-75.3	98.5	-177.4	-171	0	0	0	0	112.3	L34 F35 Q42 H43 H52	L34-C40 HydrophobicContact CB-CB 4Å; L34-C40 PolarHBondContact O-N 3.33Å; L34-C40 VanDerWaalsContact O-N 3.12Å; F35-C40 HydrophobicContact CB-CB 4.02Å; C40-Q42 PolarHBondContact O-N 3.09Å; C40-H43 WeakPolarHBondContact O-CB 3.44Å; C40-H43 PolarHBondContact O-N 3.19Å; C40-H52 PolarHBondContact SG-CE1 3.38Å; C40-H52 PolarHBondContact SG-NE2 3.06Å; C40-H52 VanDerWaalsContact SG-NE2 3.41Å
41	T	92.1	Very high	91.4	Very high	126 Å²	126	78.6 Å²	78.6	77%	0.773	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-61	-27.5	173.9	53.9	0	0	0	0	113.2	K39 H43	K39-T41 PolarHBondContact O-N 3.18Å; T41-H43 PolarHBondContact O-N 3.3Å
42	Q	88	Confident	91.4	Very high	89 Å²	89	75.2 Å²	75.2	42%	0.416	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-82.4	17.4	178.6	-60.5	179	-21.7	0	0	113.9	C40 P45 T47 C48	C40-Q42 PolarHBondContact O-N 3.09Å; Q42-P45 CarbonylContact C-O 3.55Å; Q42-P45 VanDerWaalsContact C-O 3.3Å; Q42-T47 PolarHBondContact O-N 3.25Å; Q42-C48 HydrophobicContact CB-CB 3.78Å; Q42-C48 WeakPolarHBondContact O-CB 3.34Å; Q42-C48 PolarHBondContact O-N 3.19Å
43	H	81.9	Confident	91.3	Very high	36 Å²	36	79.7 Å²	79.7	17%	0.167	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-75.3	-41.1	171.1	-179.2	26.9	0	0	0	112.4	C40 T41 P45 F46 H52	C40-H43 WeakPolarHBondContact O-CB 3.44Å; C40-H43 PolarHBondContact O-N 3.19Å; T41-H43 PolarHBondContact O-N 3.3Å; H43-P45 CarbonylContact C-O 3.05Å; H43-P45 VanDerWaalsContact C-O 3.25Å; H43-P45 CarbonylContact O-C 3.58Å; H43-F46 AromaticContact CE1-CE1 3.43Å; H43-F46 VanDerWaalsContact CE1-CE1 3.43Å; H43-F46 WeakPolarHBondContact CE1-CE1 3.34Å; H43-F46 AromaticContact CE1-CZ 3.58Å; H43-F46 AromaticContact ND1-CD1 3.93Å; H43-F46 AromaticContact ND1-CE1 3.4Å; H43-F46 WeakPolarHBondContact ND1-CE1 3.49Å; H43-F46 AromaticContact ND1-CZ 3.93Å; H43-F46 WeakPolarHBondContact O-CA 3.39Å; H43-F46 WeakPolarHBondContact O-CD1 3.5Å; H43-F46 WeakPolarHBondContact O-CG 3.43Å; H43-F46 PolarHBondContact O-N 2.77Å; H43-H52 AromaticContact CG-ND1 3.71Å; H43-H52 AromaticContact ND1-ND1 3.44Å; H43-H52 PolarHBondContact ND1-ND1 2.97Å
44	R	81.6	Confident	91.2	Very high	198 Å²	198	79.2 Å²	79.2	75%	0.747	38%	0.384	S	S	*	.	S	Bend	trans	-139.3	107.5	-178.7	-65.7	-174.9	-176.4	-165.1	-0.9	109
45	P	76.9	Confident	91.2	Very high	97 Å²	97	76.6 Å²	76.6	63%	0.63	37%	0.371	S	S	*	.	S	Bend	cis	-61.9	159.4	-2.1	29	-36.7	0	0	0	112.8	Q42 H43 T47	Q42-P45 CarbonylContact C-O 3.55Å; Q42-P45 VanDerWaalsContact C-O 3.3Å; H43-P45 CarbonylContact C-O 3.05Å; H43-P45 VanDerWaalsContact C-O 3.25Å; H43-P45 CarbonylContact O-C 3.58Å; P45-T47 HydrophobicContact CB-CG2 4.25Å; P45-T47 HydrophobicContact CG-CG2 4.07Å; P45-T47 PolarHBondContact O-N 2.99Å; P45-T47 PolarHBondContact O-OG1 3.07Å
46	F	81.2	Confident	91.2	Very high	108 Å²	108	75.3 Å²	75.3	47%	0.474	37%	0.365	S	S	.	.	S	Bend	trans	-74.4	56.1	-176.3	-79.6	-84	0	0	0	113.5	R28 H43	R28-F46 PolarHBondContact NH2-O 2.94Å; H43-F46 AromaticContact CE1-CE1 3.43Å; H43-F46 VanDerWaalsContact CE1-CE1 3.43Å; H43-F46 WeakPolarHBondContact CE1-CE1 3.34Å; H43-F46 AromaticContact CE1-CZ 3.58Å; H43-F46 AromaticContact ND1-CD1 3.93Å; H43-F46 AromaticContact ND1-CE1 3.4Å; H43-F46 WeakPolarHBondContact ND1-CE1 3.49Å; H43-F46 AromaticContact ND1-CZ 3.93Å; H43-F46 WeakPolarHBondContact O-CA 3.39Å; H43-F46 WeakPolarHBondContact O-CD1 3.5Å; H43-F46 WeakPolarHBondContact O-CG 3.43Å; H43-F46 PolarHBondContact O-N 2.77Å
47	T	91.2	Very high	91.4	Very high	49 Å²	49	73.6 Å²	73.6	30%	0.301	35%	0.351	S	S	.	.			trans	-96.9	11.2	-177	53.8	0	0	0	0	113.8	Q42 P45 H133	Q42-T47 PolarHBondContact O-N 3.25Å; P45-T47 HydrophobicContact CB-CG2 4.25Å; P45-T47 HydrophobicContact CG-CG2 4.07Å; P45-T47 PolarHBondContact O-N 2.99Å; P45-T47 PolarHBondContact O-OG1 3.07Å; T47-H133 PolarHBondContact O-NE2 3.33Å
48	C	94.4	Very high	91.5	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.034	33%	0.329	C	S	.	.			trans	-72.4	134.7	175.3	-161.5	0	0	0	0	111.1	R28 C32 Q42 H50 H52	R28-C48 VanDerWaalsContact CZ-O 3.26Å; R28-C48 PolarHBondContact NE-O 3.4Å; R28-C48 PolarHBondContact NH2-O 2.84Å; C32-C48 VanDerWaalsContact SG-SG 3.65Å; Q42-C48 HydrophobicContact CB-CB 3.78Å; Q42-C48 WeakPolarHBondContact O-CB 3.34Å; Q42-C48 PolarHBondContact O-N 3.19Å; C48-H50 VanDerWaalsContact C-N 3.29Å; C48-H52 VanDerWaalsContact CB-NE2 3.34Å; C48-H52 WeakPolarHBondContact CB-NE2 3.33Å
49	F	95.9	Very high	91.8	Very high	38 Å²	38	61 Å²	61	17%	0.167	29%	0.292	C	S	.	.	S	Bend	trans	-68.3	-29.7	175.6	-170	-90.8	0	0	0	112.4	T22 Y23 E26 F27 R28	T22-F49 HydrophobicContact CG2-CE2 4.47Å; T22-F49 HydrophobicContact CG2-CZ 3.84Å; Y23-F49 AromaticContact CD1-CE2 3.91Å; Y23-F49 HydrophobicContact CD1-CE2 3.91Å; Y23-F49 HydrophobicContact CD2-CE2 4.37Å; Y23-F49 HydrophobicContact CE1-CD2 4.22Å; Y23-F49 AromaticContact CE1-CE2 3.8Å; Y23-F49 HydrophobicContact CE1-CE2 3.8Å; Y23-F49 HydrophobicContact CE2-CE2 4.28Å; Y23-F49 HydrophobicContact CG-CE2 4.21Å; E26-F49 VanDerWaalsContact C-CE1 3.5Å; E26-F49 HydrophobicContact CB-CE1 3.74Å; E26-F49 HydrophobicContact CB-CZ 4.19Å; F27-F49 HydrophobicContact CB-CE1 4.35Å; F27-F49 HydrophobicContact CB-CE2 4Å; F27-F49 HydrophobicContact CB-CZ 3.83Å; F27-F49 AromaticContact CD2-CD2 3.62Å; F27-F49 HydrophobicContact CD2-CD2 3.62Å; F27-F49 AromaticContact CD2-CE2 3.76Å; F27-F49 HydrophobicContact CD2-CE2 3.76Å; F27-F49 HydrophobicContact CD2-CG 4.07Å; F27-F49 HydrophobicContact CD2-CZ 4.33Å; F27-F49 HydrophobicContact CE2-CD2 4.35Å; F27-F49 HydrophobicContact CG-CE2 4.38Å; R28-F49 PolarHBondContact N-O 2.92Å
50	H	96.6	Very high	91.9	Very high	65 Å²	65	59.8 Å²	59.8	30%	0.301	28%	0.284	S	S	.	.	S	Bend	trans	-92.7	159.2	178.8	-61.6	-70	0	0	0	112	R28 E30 C32 C48	R28-H50 VanDerWaalsContact CD-C 3.47Å; R28-H50 VanDerWaalsContact CD-O 3.32Å; R28-H50 WeakPolarHBondContact CD-O 3.45Å; R28-H50 PolarHBondContact NE-O 3.36Å; E30-H50 WeakPolarHBondContact O-CA 3.25Å; E30-H50 VanDerWaalsContact O-CB 3.3Å; E30-H50 WeakPolarHBondContact O-CB 3.39Å; C32-H50 HydrophobicContact CB-CB 3.69Å; C48-H50 VanDerWaalsContact C-N 3.29Å
51	W	96.1	Very high	92	Very high	29 Å²	29	59.2 Å²	59.2	11%	0.11	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-84.2	146.4	178.2	63.1	-96.4	0	0	0	112.1	R28 T29 E30 Q31 C32 L54 Q56 R57	R28-W51 VanDerWaalsContact O-CD1 3.29Å; T29-W51 VanDerWaalsContact O-CD1 3.26Å; T29-W51 PolarHBondContact O-NE1 3.36Å; E30-W51 PolarHBondContact O-N 3.31Å; Q31-W51 CarbonylContact C-O 3.5Å; Q31-W51 WeakPolarHBondContact CA-O 3.44Å; Q31-W51 HydrophobicContact CB-CD2 4.04Å; Q31-W51 HydrophobicContact CB-CE3 4.24Å; Q31-W51 HydrophobicContact CB-CH2 3.85Å; Q31-W51 HydrophobicContact CB-CZ2 3.61Å; Q31-W51 HydrophobicContact CB-CZ3 4.16Å; Q31-W51 HydrophobicContact CG-CD2 4.1Å; Q31-W51 HydrophobicContact CG-CE3 3.81Å; Q31-W51 HydrophobicContact CG-CH2 3.75Å; Q31-W51 HydrophobicContact CG-CZ2 4.04Å; Q31-W51 HydrophobicContact CG-CZ3 3.63Å; Q31-W51 VanDerWaalsContact NE2-CZ3 3.35Å; C32-W51 PolarHBondContact N-O 2.76Å; W51-L54 HydrophobicContact CH2-CD1 4.05Å; W51-L54 HydrophobicContact CZ2-CD1 4.39Å; W51-L54 HydrophobicContact CZ3-CB 4.44Å; W51-L54 HydrophobicContact CZ3-CD1 4.38Å; W51-Q56 HydrophobicContact CB-CB 3.95Å; W51-R57 HydrophobicContact CB-CB 4.47Å; W51-R57 HydrophobicContact CD2-CB 3.88Å; W51-R57 HydrophobicContact CD2-CG 4.4Å; W51-R57 HydrophobicContact CG-CB 3.83Å; W51-R57 HydrophobicContact CG-CG 4.35Å; W51-R57 HydrophobicContact CZ2-CG 4.46Å
52	H	95	Very high	92.1	Very high	5 Å²	5	56.9 Å²	56.9	2%	0.023	26%	0.262	C	S	.	.	S	Bend	trans	-104.4	-45.3	179.3	-70.3	-162.5	0	0	0	110.9	C32 F35 C40 H43 C48	C32-H52 VanDerWaalsContact CB-CD2 3.41Å; C32-H52 WeakPolarHBondContact CB-CD2 3.25Å; F35-H52 HydrophobicContact CD1-CB 3.61Å; F35-H52 AromaticContact CD1-CG 3.88Å; F35-H52 HydrophobicContact CD2-CB 4.05Å; F35-H52 AromaticContact CD2-CE1 3.65Å; F35-H52 AromaticContact CD2-CG 3.63Å; F35-H52 AromaticContact CD2-ND1 3.12Å; F35-H52 WeakPolarHBondContact CD2-ND1 3.41Å; F35-H52 HydrophobicContact CE1-CB 3.69Å; F35-H52 WeakPolarHBondContact CE1-O 3.3Å; F35-H52 HydrophobicContact CE2-CB 4.11Å; F35-H52 AromaticContact CE2-ND1 3.56Å; F35-H52 HydrophobicContact CG-CB 3.79Å; F35-H52 AromaticContact CG-CD2 3.98Å; F35-H52 AromaticContact CG-CE1 3.97Å; F35-H52 AromaticContact CG-CG 3.51Å; F35-H52 AromaticContact CG-ND1 3.51Å; F35-H52 HydrophobicContact CZ-CB 3.94Å; C40-H52 PolarHBondContact SG-CE1 3.38Å; C40-H52 PolarHBondContact SG-NE2 3.06Å; C40-H52 VanDerWaalsContact SG-NE2 3.41Å; H43-H52 AromaticContact CG-ND1 3.71Å; H43-H52 AromaticContact ND1-ND1 3.44Å; H43-H52 PolarHBondContact ND1-ND1 2.97Å; C48-H52 VanDerWaalsContact CB-NE2 3.34Å; C48-H52 WeakPolarHBondContact CB-NE2 3.33Å
53	F	94.6	Very high	92.5	Very high	96 Å²	96	58 Å²	58	42%	0.421	26%	0.263	S	S	.	.	S	Bend	trans	-111.6	152.2	174.9	-53.5	-69.8	0	0	0	110.4	F35 N55 Q56	F35-F53 HydrophobicContact CE1-CE1 4.12Å; F35-F53 HydrophobicContact CE1-CZ 4.37Å; F35-F53 AromaticContact CZ-CE1 3.82Å; F35-F53 HydrophobicContact CZ-CE1 3.82Å; F35-F53 HydrophobicContact CZ-CE2 4.36Å; F35-F53 AromaticContact CZ-CZ 3.69Å; F35-F53 HydrophobicContact CZ-CZ 3.69Å; F53-N55 VanDerWaalsContact C-N 3.29Å; F53-N55 WeakPolarHBondContact CB-OD1 3.47Å; F53-N55 PolarHBondContact O-N 2.86Å; F53-Q56 HydrophobicContact CB-CG 4.35Å; F53-Q56 WeakPolarHBondContact O-CA 3.46Å; F53-Q56 VanDerWaalsContact O-CB 3.28Å; F53-Q56 WeakPolarHBondContact O-CB 3.4Å; F53-Q56 PolarHBondContact O-N 3.46Å
54	L	94.6	Very high	93	Very high	67 Å²	67	62.2 Å²	62.2	35%	0.351	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-63.5	-33.3	-173	-173.5	64.9	0	0	0	112.6	W51 Q56 R57 I86	W51-L54 HydrophobicContact CH2-CD1 4.05Å; W51-L54 HydrophobicContact CZ2-CD1 4.39Å; W51-L54 HydrophobicContact CZ3-CB 4.44Å; W51-L54 HydrophobicContact CZ3-CD1 4.38Å; L54-Q56 PolarHBondContact O-N 2.96Å; L54-Q56 VanDerWaalsContact O-N 3.1Å; L54-R57 HydrophobicContact CD1-CB 4.24Å; L54-R57 WeakPolarHBondContact O-CB 3.45Å; L54-R57 PolarHBondContact O-N 3.29Å; L54-I86 HydrophobicContact CD2-CD1 4.43Å; L54-I86 HydrophobicContact CD2-CG1 3.7Å
55	N	93.8	Very high	93.6	Very high	36 Å²	36	65.2 Å²	65.2	19%	0.193	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-66.8	-5.3	171.7	71.2	-7.7	0	0	0	114.7	F53 E82 T83 T100	F53-N55 VanDerWaalsContact C-N 3.29Å; F53-N55 WeakPolarHBondContact CB-OD1 3.47Å; F53-N55 PolarHBondContact O-N 2.86Å; N55-E82 WeakPolarHBondContact CB-O 3.39Å; N55-E82 PolarHBondContact ND2-O 2.65Å; N55-T83 PolarHBondContact ND2-O 3.19Å; N55-T100 WeakPolarHBondContact O-CB 3.36Å; N55-T100 PolarHBondContact O-N 3.4Å; N55-T100 PolarHBondContact O-OG1 3.08Å; N55-T100 PolarHBondContact OD1-OG1 3.41Å
56	Q	95.3	Very high	94.2	Very high	9 Å²	9	65.1 Å²	65.1	4%	0.042	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-97.5	-13.1	169.9	-54.6	179.8	-20.7	0	0	113	W51 F53 L54 T100	W51-Q56 HydrophobicContact CB-CB 3.95Å; F53-Q56 HydrophobicContact CB-CG 4.35Å; F53-Q56 WeakPolarHBondContact O-CA 3.46Å; F53-Q56 VanDerWaalsContact O-CB 3.28Å; F53-Q56 WeakPolarHBondContact O-CB 3.4Å; F53-Q56 PolarHBondContact O-N 3.46Å; L54-Q56 PolarHBondContact O-N 2.96Å; L54-Q56 VanDerWaalsContact O-N 3.1Å; Q56-T100 HydrophobicContact CG-CG2 4.19Å
57	R	96.8	Very high	94.6	Very high	71 Å²	71	60.3 Å²	60.3	27%	0.268	26%	0.264	S	S	.	.			trans	-65.2	134.8	177.7	-178.8	175.8	176.5	-95.5	0.4	109.8	R28 W51 L54 D91 T99	R28-R57 WeakPolarHBondContact O-CA 3.31Å; W51-R57 HydrophobicContact CB-CB 4.47Å; W51-R57 HydrophobicContact CD2-CB 3.88Å; W51-R57 HydrophobicContact CD2-CG 4.4Å; W51-R57 HydrophobicContact CG-CB 3.83Å; W51-R57 HydrophobicContact CG-CG 4.35Å; W51-R57 HydrophobicContact CZ2-CG 4.46Å; L54-R57 HydrophobicContact CD1-CB 4.24Å; L54-R57 WeakPolarHBondContact O-CB 3.45Å; L54-R57 PolarHBondContact O-N 3.29Å; R57-D91 IonicContact CZ-OD1 2.64Å; R57-D91 IonicContact CZ-OD2 3.67Å; R57-D91 IonicContact NH1-OD1 3.98Å; R57-D91 PolarHBondContact NH1-OD1 3.4Å; R57-D91 IonicContact NH1-OD2 3.56Å; R57-D91 IonicContact NH2-OD1 3.63Å; R57-D91 PolarHBondContact NH2-OD1 3.15Å; R57-D91 IonicContact NH2-OD2 3.88Å; R57-D91 PolarHBondContact NH2-OD2 2.99Å; R57-T99 WeakPolarHBondContact O-CG2 3.43Å
58	R	96.7	Very high	94.7	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	26%	0.256	C	S	.	.			trans	-113.9	133.8	174.1	148.5	177.6	178	-101.2	2.9	108.3	Y23 L24 F27 R28 T29 T103 E104 Y107	Y23-R58 PolarHBondContact O-NH1 3.22Å; L24-R58 PolarHBondContact O-NH2 2.9Å; F27-R58 WeakPolarHBondContact O-CD 3.46Å; F27-R58 PolarHBondContact O-NH1 2.88Å; R28-R58 HydrophobicContact CB-CB 4.2Å; R28-R58 PolarHBondContact O-N 3.25Å; T29-R58 WeakPolarHBondContact CA-O 3.28Å; R58-T103 WeakPolarHBondContact CD-O 3.32Å; R58-E104 HydrophobicContact CB-CG 4.08Å; R58-E104 HydrophobicContact CG-CG 4.01Å; R58-Y107 PolarHBondContact NH2-O 3.2Å
59	R	97.5	Very high	94.7	Very high	8 Å²	8	59.3 Å²	59.3	3%	0.03	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-72.9	148.3	166.8	-63.2	170.6	-59.9	153.8	0.4	110.2	Y71 D91 C93 Y95 H97 E104	R59-Y71 HydrophobicContact CB-CE1 4.14Å; R59-Y71 PolarHBondContact O-OH 3.24Å; R59-D91 WeakPolarHBondContact CD-O 3.5Å; R59-D91 WeakPolarHBondContact CD-OD1 3.4Å; R59-D91 VanDerWaalsContact CG-OD1 3.32Å; R59-D91 WeakPolarHBondContact CG-OD1 3.41Å; R59-D91 PolarHBondContact NH1-O 3Å; R59-C93 PolarHBondContact NH1-O 3.37Å; R59-Y95 PolarHBondContact NH2-O 2.88Å; R59-H97 VanDerWaalsContact CZ-CE1 3.41Å; R59-H97 PolarHBondContact NE-CE1 2.81Å; R59-H97 PolarHBondContact NE-ND1 2.92Å; R59-E104 WeakPolarHBondContact CB-OE1 3.14Å; R59-E104 VanDerWaalsContact CG-OE1 3.31Å; R59-E104 WeakPolarHBondContact CG-OE1 3.24Å; R59-E104 IonicContact CZ-OE1 2.69Å; R59-E104 IonicContact CZ-OE2 3.56Å; R59-E104 PolarHBondContact N-OE1 2.85Å; R59-E104 IonicContact NE-OE1 3.36Å; R59-E104 PolarHBondContact NE-OE1 3.14Å; R59-E104 IonicContact NE-OE2 3.76Å; R59-E104 PolarHBondContact NE-OE2 3.34Å; R59-E104 IonicContact NH2-OE1 2.93Å; R59-E104 IonicContact NH2-OE2 3.54Å; R59-E104 PolarHBondContact NH2-OE2 2.95Å
60	R	96.7	Very high	94.7	Very high	104 Å²	104	58.9 Å²	58.9	39%	0.392	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-71	127.6	176.4	-177.4	179.9	170.5	-165.9	0.5	109.7	T29 I62 N70	T29-R60 HydrophobicContact CG2-CB 4.35Å; R60-I62 HydrophobicContact CG-CG1 4.18Å; R60-N70 PolarHBondContact O-ND2 3.46Å
61	P	95.5	Very high	94.7	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.039	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-72	129.8	170.4	31.3	-35.7	0	0	0	109.9	Y71 H108 L109	P61-Y71 HydrophobicContact CB-CE1 4.27Å; P61-H108 VanDerWaalsContact CB-CD2 3.47Å; P61-H108 WeakPolarHBondContact CB-CD2 3.43Å; P61-L109 HydrophobicContact CB-CD1 4.17Å; P61-L109 HydrophobicContact CB-CG 4.03Å; P61-L109 HydrophobicContact CG-CG 4.09Å
62	I	94.6	Very high	94.5	Very high	77 Å²	77	55.8 Å²	55.8	40%	0.395	25%	0.246	S	C	.	.			trans	-133.7	120.7	-177	-61.2	173.3	0	0	0	108	R60 F69 N70	R60-I62 HydrophobicContact CG-CG1 4.18Å; I62-F69 WeakPolarHBondContact O-CA 3.33Å; I62-N70 HydrophobicContact CB-CB 4.34Å; I62-N70 PolarHBondContact N-OD1 2.91Å; I62-N70 PolarHBondContact O-N 3.45Å; I62-N70 PolarHBondContact O-OD1 3.03Å
63	R	94.8	Very high	94.3	Very high	113 Å²	113	56 Å²	56	43%	0.426	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-81.3	119.5	162.7	-167.9	174.8	-177.4	-138.7	4.1	108.2	G67 T68 F69 L109 Y148	R63-G67 PolarHBondContact NE-O 3.04Å; R63-G67 VanDerWaalsContact NE-O 3.1Å; R63-T68 CarbonylContact C-O 3.54Å; R63-T68 WeakPolarHBondContact CA-O 3.26Å; R63-F69 HydrophobicContact CB-CD1 4.05Å; R63-F69 HydrophobicContact CB-CE1 3.96Å; R63-F69 HydrophobicContact CG-CD1 4.46Å; R63-F69 HydrophobicContact CG-CE1 4.3Å; R63-L109 HydrophobicContact CB-CD1 4.36Å; R63-Y148 PolarHBondContact NE-O 2.69Å
64	R	93.6	Very high	94	Very high	124 Å²	124	52.8 Å²	52.8	47%	0.468	24%	0.235	S	C	.	.			trans	-73.8	168.5	178.9	-68.5	175.9	173.4	-175.3	-0.2	110.6	D66 G67 T68	R64-D66 VanDerWaalsContact CB-OD1 3.29Å; R64-D66 WeakPolarHBondContact CB-OD1 3.49Å; R64-D66 WeakPolarHBondContact CB-OD2 3.12Å; R64-D66 PolarHBondContact O-N 2.94Å; R64-G67 PolarHBondContact O-N 3.15Å; R64-T68 PolarHBondContact N-O 3.22Å
65	R	93.6	Very high	93.8	Very high	262 Å²	262	51.5 Å²	51.5	99%	0.989	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.1	179.3	-72.4	-172.5	-70.7	167.5	-2.4	113.5	G67	R65-G67 PolarHBondContact O-N 3.04Å
66	D	90.6	Very high	93.7	Very high	94 Å²	94	51.6 Å²	51.6	50%	0.503	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.7	170	53.5	48.8	0	0	0	113.6	R64 T68	R64-D66 VanDerWaalsContact CB-OD1 3.29Å; R64-D66 WeakPolarHBondContact CB-OD1 3.49Å; R64-D66 WeakPolarHBondContact CB-OD2 3.12Å; R64-D66 PolarHBondContact O-N 2.94Å; D66-T68 WeakPolarHBondContact OD1-CA 3.08Å; D66-T68 VanDerWaalsContact OD1-CB 3.24Å; D66-T68 WeakPolarHBondContact OD1-CB 3.17Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.24Å; D66-T68 PolarHBondContact OD1-N 2.69Å; D66-T68 PolarHBondContact OD1-OG1 3.12Å
67	G	88.5	Confident	93.6	Very high	8 Å²	8	51.6 Å²	51.6	8%	0.082	23%	0.229	C	C	.	.	S	Bend	trans	86.3	-3	-179.8	0	0	0	0	0	115.5	R63 R64 R65 I150	R63-G67 PolarHBondContact NE-O 3.04Å; R63-G67 VanDerWaalsContact NE-O 3.1Å; R64-G67 PolarHBondContact O-N 3.15Å; R65-G67 PolarHBondContact O-N 3.04Å; G67-I150 PolarHBondContact O-N 2.68Å
68	T	93.1	Very high	93.4	Very high	24 Å²	24	55 Å²	55	15%	0.147	26%	0.257	C	S	.	.			trans	-81.3	160	174.1	69.3	0	0	0	0	112.4	R63 R64 D66 D149 I150	R63-T68 CarbonylContact C-O 3.54Å; R63-T68 WeakPolarHBondContact CA-O 3.26Å; R64-T68 PolarHBondContact N-O 3.22Å; D66-T68 WeakPolarHBondContact OD1-CA 3.08Å; D66-T68 VanDerWaalsContact OD1-CB 3.24Å; D66-T68 WeakPolarHBondContact OD1-CB 3.17Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.24Å; D66-T68 PolarHBondContact OD1-N 2.69Å; D66-T68 PolarHBondContact OD1-OG1 3.12Å; T68-D149 WeakPolarHBondContact CA-OD2 3.36Å; T68-I150 HydrophobicContact CG2-CG2 3.71Å
69	F	95.5	Very high	93.2	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.035	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-86.2	151.5	166.7	-63.2	-63.3	0	0	0	113.1	I62 R63 Y71 P73 H108 L109 V147 D149	I62-F69 WeakPolarHBondContact O-CA 3.33Å; R63-F69 HydrophobicContact CB-CD1 4.05Å; R63-F69 HydrophobicContact CB-CE1 3.96Å; R63-F69 HydrophobicContact CG-CD1 4.46Å; R63-F69 HydrophobicContact CG-CE1 4.3Å; F69-Y71 VanDerWaalsContact C-N 3.31Å; F69-Y71 WeakPolarHBondContact CB-O 3.12Å; F69-P73 HydrophobicContact CD2-CG 4.43Å; F69-H108 AromaticContact CD1-CE1 3.61Å; F69-H108 AromaticContact CD2-CE1 3.69Å; F69-H108 AromaticContact CE1-CE1 3.73Å; F69-H108 AromaticContact CE2-CE1 3.79Å; F69-H108 AromaticContact CG-CE1 3.6Å; F69-H108 AromaticContact CZ-CE1 3.82Å; F69-L109 HydrophobicContact CD1-CD1 4.28Å; F69-L109 HydrophobicContact CE1-CB 3.88Å; F69-L109 HydrophobicContact CE1-CD1 3.9Å; F69-L109 HydrophobicContact CZ-CB 4.38Å; F69-V147 HydrophobicContact CE1-CG1 4.16Å; F69-V147 HydrophobicContact CZ-CB 4.36Å; F69-V147 HydrophobicContact CZ-CG1 4.03Å; F69-V147 WeakPolarHBondContact CZ-O 3.47Å; F69-D149 HydrophobicContact CD2-CB 3.71Å; F69-D149 HydrophobicContact CE2-CB 3.76Å; F69-D149 PolarHBondContact N-OD2 3.06Å
70	N	95.3	Very high	93.1	Very high	30 Å²	30	60.6 Å²	60.6	16%	0.16	28%	0.282	C	S	.	.	S	Bend	trans	-64.9	-31.3	171.8	63.1	-36.2	0	0	0	113.5	R60 I62	R60-N70 PolarHBondContact O-ND2 3.46Å; I62-N70 HydrophobicContact CB-CB 4.34Å; I62-N70 PolarHBondContact N-OD1 2.91Å; I62-N70 PolarHBondContact O-N 3.45Å; I62-N70 PolarHBondContact O-OD1 3.03Å
71	Y	96.2	Very high	92.9	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	28%	0.278	C	S	.	.	S	Bend	trans	-138.4	153.6	167.1	65.7	-94.2	0	0	0	110.5	R59 P61 F69 P94 L96 E104 H108	R59-Y71 HydrophobicContact CB-CE1 4.14Å; R59-Y71 PolarHBondContact O-OH 3.24Å; P61-Y71 HydrophobicContact CB-CE1 4.27Å; F69-Y71 VanDerWaalsContact C-N 3.31Å; F69-Y71 WeakPolarHBondContact CB-O 3.12Å; Y71-P94 CarbonylContact C-O 3.51Å; Y71-P94 WeakPolarHBondContact CA-O 3.45Å; Y71-L96 HydrophobicContact CD2-CD1 4.07Å; Y71-L96 HydrophobicContact CE2-CD1 3.69Å; Y71-E104 HydrophobicContact CE2-CB 4.03Å; Y71-E104 PolarHBondContact OH-O 3.13Å; Y71-H108 AromaticContact CE2-CD2 3.55Å; Y71-H108 AromaticContact CZ-CD2 3.7Å
72	S	92	Very high	92.8	Very high	27 Å²	27	62.9 Å²	62.9	19%	0.189	30%	0.298	C	S	.	.			trans	-63.2	138.4	-179	-175.3	0	0	0	0	112	D74 V75 P94 L96	S72-D74 PolarHBondContact O-N 3.31Å; S72-D74 PolarHBondContact OG-N 2.96Å; S72-D74 VanDerWaalsContact OG-N 3.15Å; S72-V75 PolarHBondContact OG-N 3.46Å; S72-P94 PolarHBondContact N-O 2.79Å; S72-L96 WeakPolarHBondContact O-CB 3.4Å
73	P	91.1	Very high	92.6	Very high	9 Å²	9	64.3 Å²	64.3	6%	0.058	31%	0.311	C	S	.	.	S	Bend	trans	-68.1	-18.2	167.7	27.6	-34.4	0	0	0	113.3	F69 R105 R110 Y111	F69-P73 HydrophobicContact CD2-CG 4.43Å; P73-R105 PolarHBondContact O-NH1 2.96Å; P73-R110 HydrophobicContact CB-CB 3.83Å; P73-R110 HydrophobicContact CB-CG 3.92Å; P73-R110 HydrophobicContact CG-CB 4.36Å; P73-R110 HydrophobicContact CG-CG 4.15Å; P73-Y111 HydrophobicContact CB-CE2 3.91Å; P73-Y111 WeakPolarHBondContact O-CE2 3.47Å
74	D	88.5	Confident	92.5	Very high	30 Å²	30	62.2 Å²	62.2	16%	0.16	31%	0.31	C	S	.	.	S	Bend	trans	-120.4	-42.8	-162.6	-93.1	-78.5	0	0	0	114.4	S72 Y76 R105 Y111	S72-D74 PolarHBondContact O-N 3.31Å; S72-D74 PolarHBondContact OG-N 2.96Å; S72-D74 VanDerWaalsContact OG-N 3.15Å; D74-Y76 PolarHBondContact O-N 3.25Å; D74-R105 PolarHBondContact O-NH1 3.41Å; D74-R105 IonicContact OD1-CZ 3.13Å; D74-R105 IonicContact OD1-NH1 3.65Å; D74-R105 IonicContact OD1-NH2 3.14Å; D74-R105 PolarHBondContact OD1-NH2 2.97Å; D74-R105 IonicContact OD2-NH2 3.51Å; D74-Y111 VanDerWaalsContact CG-OH 3.25Å; D74-Y111 PolarHBondContact OD1-OH 2.81Å; D74-Y111 PolarHBondContact OD2-OH 3.46Å
75	V	89.3	Confident	92.5	Very high	39 Å²	39	56.8 Å²	56.8	24%	0.236	29%	0.293	C	S	.	.			trans	-89.1	109.4	-172	-173.1	0	0	0	0	110.1	S72 Y95 L96 L178	S72-V75 PolarHBondContact OG-N 3.46Å; V75-Y95 HydrophobicContact CB-CD1 4.05Å; V75-Y95 HydrophobicContact CG1-CD1 3.62Å; V75-Y95 HydrophobicContact CG1-CE1 3.94Å; V75-Y95 WeakPolarHBondContact O-CA 3.33Å; V75-L96 WeakPolarHBondContact O-CB 3.42Å; V75-L96 PolarHBondContact O-N 2.57Å; V75-L178 HydrophobicContact CG2-CD1 3.9Å; V75-L178 HydrophobicContact CG2-CD2 3.49Å; V75-L178 VanDerWaalsContact CG2-CD2 3.49Å; V75-L178 HydrophobicContact CG2-CG 4.33Å
76	Y	92.7	Very high	92.6	Very high	39 Å²	39	48.8 Å²	48.8	15%	0.153	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-74.4	139.1	178.5	-70	-86.6	0	0	0	112.8	D74 L96 R98 D102 R105	D74-Y76 PolarHBondContact O-N 3.25Å; Y76-L96 CarbonylContact C-O 3.48Å; Y76-L96 VanDerWaalsContact CA-O 3.3Å; Y76-L96 WeakPolarHBondContact CA-O 3.32Å; Y76-L96 HydrophobicContact CD1-CB 4.06Å; Y76-L96 HydrophobicContact CD1-CD2 3.51Å; Y76-L96 HydrophobicContact CD1-CG 3.63Å; Y76-L96 HydrophobicContact CD2-CD2 4.16Å; Y76-L96 HydrophobicContact CE1-CD2 3.26Å; Y76-L96 HydrophobicContact CE1-CG 3.69Å; Y76-L96 HydrophobicContact CE2-CD2 3.96Å; Y76-L96 HydrophobicContact CG-CB 4.42Å; Y76-L96 HydrophobicContact CG-CD2 3.99Å; Y76-L96 HydrophobicContact CG-CG 4.35Å; Y76-R98 HydrophobicContact CD1-CG 3.35Å; Y76-R98 HydrophobicContact CE1-CG 3.73Å; Y76-R98 HydrophobicContact CG-CG 4.17Å; Y76-R98 VanDerWaalsContact CZ-NH1 3.33Å; Y76-D102 PolarHBondContact OH-OD1 2.89Å; Y76-R105 VanDerWaalsContact OH-CD 3.27Å; Y76-R105 WeakPolarHBondContact OH-CD 3.42Å
77	C	92.9	Very high	92.8	Very high	9 Å²	9	45 Å²	45	6%	0.061	25%	0.249	C	C	.	.			trans	-66.2	135.6	173.2	-170.1	0	0	0	0	110.5	K79 L96	C77-K79 PolarHBondContact SG-N 3.35Å; C77-L96 PolarHBondContact N-O 3.38Å
78	T	93.2	Very high	93.2	Very high	142 Å²	142	49.6 Å²	49.6	87%	0.871	28%	0.278	S	S	*	.	S	Bend	trans	-89.3	-14.8	172.9	49.9	0	0	0	0	113.3
79	K	92.8	Very high	93.2	Very high	108 Å²	108	51 Å²	51	47%	0.47	29%	0.285	S	S	.	.	S	Bend	trans	-93.4	-7.3	179.5	-50.8	174.4	-177.2	164	0	114.2	C77 P88 D89	C77-K79 PolarHBondContact SG-N 3.35Å; K79-P88 HydrophobicContact CB-CG 4.27Å; K79-P88 VanDerWaalsContact O-CD 3.26Å; K79-P88 WeakPolarHBondContact O-CD 3.36Å; K79-D89 WeakPolarHBondContact CD-OD2 3.24Å; K79-D89 IonicContact NZ-OD1 2.65Å; K79-D89 PolarHBondContact NZ-OD1 3.22Å; K79-D89 IonicContact NZ-OD2 2.73Å; K79-D89 PolarHBondContact NZ-OD2 2.89Å
80	Y	94.8	Very high	93.2	Very high	19 Å²	19	52.2 Å²	52.2	8%	0.075	30%	0.3	C	S	.	.			trans	-80.7	122.4	-178.9	176.3	-95.7	0	0	0	110.4	E82 G85 C87 H97 R98	Y80-E82 HydrophobicContact CD1-CG 4.33Å; Y80-E82 HydrophobicContact CE1-CG 4.4Å; Y80-G85 WeakPolarHBondContact CE2-O 3.38Å; Y80-G85 WeakPolarHBondContact OH-CA 3.3Å; Y80-C87 HydrophobicContact CD2-CB 4.15Å; Y80-H97 HydrophobicContact CD1-CB 4.08Å; Y80-H97 HydrophobicContact CD2-CB 3.53Å; Y80-H97 AromaticContact CD2-CD2 3.66Å; Y80-H97 AromaticContact CD2-CG 3.32Å; Y80-H97 AromaticContact CD2-ND1 3.6Å; Y80-H97 HydrophobicContact CE1-CB 4.16Å; Y80-H97 HydrophobicContact CE2-CB 3.64Å; Y80-H97 AromaticContact CE2-CG 3.75Å; Y80-H97 AromaticContact CE2-ND1 3.83Å; Y80-H97 HydrophobicContact CG-CB 3.75Å; Y80-H97 AromaticContact CG-CD2 3.87Å; Y80-H97 AromaticContact CG-CG 3.79Å; Y80-R98 HydrophobicContact CD1-CB 4.24Å; Y80-R98 HydrophobicContact CE1-CB 4.4Å; Y80-R98 WeakPolarHBondContact CE1-O 3.48Å
81	D	93.3	Very high	93.1	Very high	59 Å²	59	54.6 Å²	54.6	32%	0.316	31%	0.312	S	S	.	.			trans	-84.2	114.2	174.1	171.8	22.6	0	0	0	110.7	T83 T84 G85 I86	D81-T83 VanDerWaalsContact CG-OG1 3.24Å; D81-T83 PolarHBondContact O-N 2.73Å; D81-T83 WeakPolarHBondContact OD1-CA 3.3Å; D81-T83 WeakPolarHBondContact OD1-CB 3.45Å; D81-T83 PolarHBondContact OD1-N 2.9Å; D81-T83 PolarHBondContact OD1-OG1 3.33Å; D81-T83 PolarHBondContact OD2-OG1 3.39Å; D81-T84 VanDerWaalsContact OD2-CB 3.23Å; D81-T84 WeakPolarHBondContact OD2-CB 3.29Å; D81-T84 WeakPolarHBondContact OD2-CG2 3.31Å; D81-T84 PolarHBondContact OD2-N 3.04Å; D81-T84 PolarHBondContact OD2-OG1 3Å; D81-G85 VanDerWaalsContact O-CA 3.22Å; D81-G85 WeakPolarHBondContact O-CA 3.32Å; D81-G85 PolarHBondContact O-N 3.34Å; D81-I86 PolarHBondContact N-O 3.39Å
82	E	93.2	Very high	93.1	Very high	99 Å²	99	61 Å²	61	46%	0.463	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.3	177.1	-60.2	-175.4	-165.6	0	0	112.9	N55 Y80 R98	N55-E82 WeakPolarHBondContact CB-O 3.39Å; N55-E82 PolarHBondContact ND2-O 2.65Å; Y80-E82 HydrophobicContact CD1-CG 4.33Å; Y80-E82 HydrophobicContact CE1-CG 4.4Å; E82-R98 HydrophobicContact CG-CB 3.77Å; E82-R98 WeakPolarHBondContact OE1-CB 3.44Å; E82-R98 WeakPolarHBondContact OE1-CD 3.41Å
83	T	90.4	Very high	93.3	Very high	107 Å²	107	59.8 Å²	59.8	66%	0.656	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-54.5	-176.7	72.1	0	0	0	0	112.4	N55 D81	N55-T83 PolarHBondContact ND2-O 3.19Å; D81-T83 VanDerWaalsContact CG-OG1 3.24Å; D81-T83 PolarHBondContact O-N 2.73Å; D81-T83 WeakPolarHBondContact OD1-CA 3.3Å; D81-T83 WeakPolarHBondContact OD1-CB 3.45Å; D81-T83 PolarHBondContact OD1-N 2.9Å; D81-T83 PolarHBondContact OD1-OG1 3.33Å; D81-T83 PolarHBondContact OD2-OG1 3.39Å
84	T	93.1	Very high	93.4	Very high	68 Å²	68	62.6 Å²	62.6	42%	0.417	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-28.7	175.5	61.6	0	0	0	0	113.3	D81 I86	D81-T84 VanDerWaalsContact OD2-CB 3.23Å; D81-T84 WeakPolarHBondContact OD2-CB 3.29Å; D81-T84 WeakPolarHBondContact OD2-CG2 3.31Å; D81-T84 PolarHBondContact OD2-N 3.04Å; D81-T84 PolarHBondContact OD2-OG1 3Å; T84-I86 PolarHBondContact OG1-N 2.95Å
85	G	93.1	Very high	93.7	Very high	11 Å²	11	66.2 Å²	66.2	11%	0.113	37%	0.369	C	S	.	.			trans	85.1	17.3	-173.7	0	0	0	0	0	114.8	Y80 D81	Y80-G85 WeakPolarHBondContact CE2-O 3.38Å; Y80-G85 WeakPolarHBondContact OH-CA 3.3Å; D81-G85 VanDerWaalsContact O-CA 3.22Å; D81-G85 WeakPolarHBondContact O-CA 3.32Å; D81-G85 PolarHBondContact O-N 3.34Å
86	I	94.7	Very high	94.1	Very high	94 Å²	94	64.4 Å²	64.4	48%	0.482	36%	0.357	S	S	.	.			trans	-100.5	144.1	-174.6	-59.9	173.4	0	0	0	110.5	L54 D81 T84	L54-I86 HydrophobicContact CD2-CD1 4.43Å; L54-I86 HydrophobicContact CD2-CG1 3.7Å; D81-I86 PolarHBondContact N-O 3.39Å; T84-I86 PolarHBondContact OG1-N 2.95Å
87	C	96.3	Very high	94.3	Very high	13 Å²	13	62.9 Å²	62.9	9%	0.088	35%	0.352	C	S	.	.			trans	-123.6	134.8	166.5	-168.4	0	0	0	0	108.9	Y80 D89 G90 H97	Y80-C87 HydrophobicContact CD2-CB 4.15Å; C87-D89 PolarHBondContact O-N 3.07Å; C87-G90 PolarHBondContact O-N 3Å; C87-H97 VanDerWaalsContact CB-CE1 3.49Å; C87-H97 WeakPolarHBondContact CB-CE1 3.32Å; C87-H97 WeakPolarHBondContact CB-NE2 3.36Å; C87-H97 PolarHBondContact SG-NE2 3.1Å; C87-H97 VanDerWaalsContact SG-NE2 3.37Å
88	P	95.7	Very high	94.3	Very high	106 Å²	106	65.3 Å²	65.3	69%	0.688	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.1	171.5	-25.2	34.7	0	0	0	113.2	K79 G90	K79-P88 HydrophobicContact CB-CG 4.27Å; K79-P88 VanDerWaalsContact O-CD 3.26Å; K79-P88 WeakPolarHBondContact O-CD 3.36Å; P88-G90 PolarHBondContact O-N 3.49Å
89	D	94	Very high	94.4	Very high	53 Å²	53	58.8 Å²	58.8	28%	0.283	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.1	178.2	-56.5	-11.7	0	0	0	112.6	K79 C87 D92 C93	K79-D89 WeakPolarHBondContact CD-OD2 3.24Å; K79-D89 IonicContact NZ-OD1 2.65Å; K79-D89 PolarHBondContact NZ-OD1 3.22Å; K79-D89 IonicContact NZ-OD2 2.73Å; K79-D89 PolarHBondContact NZ-OD2 2.89Å; C87-D89 PolarHBondContact O-N 3.07Å; D89-D92 PolarHBondContact O-N 2.83Å; D89-C93 HydrophobicContact CB-CB 3.57Å; D89-C93 PolarHBondContact O-N 3.13Å; D89-C93 VanDerWaalsContact O-N 3.1Å
90	G	94	Very high	94.4	Very high	34 Å²	34	56.5 Å²	56.5	35%	0.351	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	-140.2	173.6	0	0	0	0	0	114.7	C87 P88 H97	C87-G90 PolarHBondContact O-N 3Å; P88-G90 PolarHBondContact O-N 3.49Å; G90-H97 PolarHBondContact O-CE1 3.06Å
91	D	94.4	Very high	94.2	Very high	80 Å²	80	58 Å²	58	43%	0.428	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-28.5	176.9	-83.3	-7.5	0	0	0	113.2	R57 R59 C93	R57-D91 IonicContact CZ-OD1 2.64Å; R57-D91 IonicContact CZ-OD2 3.67Å; R57-D91 IonicContact NH1-OD1 3.98Å; R57-D91 PolarHBondContact NH1-OD1 3.4Å; R57-D91 IonicContact NH1-OD2 3.56Å; R57-D91 IonicContact NH2-OD1 3.63Å; R57-D91 PolarHBondContact NH2-OD1 3.15Å; R57-D91 IonicContact NH2-OD2 3.88Å; R57-D91 PolarHBondContact NH2-OD2 2.99Å; R59-D91 WeakPolarHBondContact CD-O 3.5Å; R59-D91 WeakPolarHBondContact CD-OD1 3.4Å; R59-D91 VanDerWaalsContact CG-OD1 3.32Å; R59-D91 WeakPolarHBondContact CG-OD1 3.41Å; R59-D91 PolarHBondContact NH1-O 3Å; D91-C93 PolarHBondContact O-N 2.74Å
92	D	95.3	Very high	94.3	Very high	135 Å²	135	57 Å²	57	72%	0.722	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-3.2	-179.6	-71.3	-62.7	0	0	0	114.2	D89 P94	D89-D92 PolarHBondContact O-N 2.83Å; D92-P94 WeakPolarHBondContact O-CD 3.3Å; D92-P94 VanDerWaalsContact O-N 3.14Å
93	C	96.3	Very high	94.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	31%	0.311	C	S	.	.			trans	-53.4	118.1	176.6	-167.9	0	0	0	0	111.4	R59 D89 D91 Y95 H97	R59-C93 PolarHBondContact NH1-O 3.37Å; D89-C93 HydrophobicContact CB-CB 3.57Å; D89-C93 PolarHBondContact O-N 3.13Å; D89-C93 VanDerWaalsContact O-N 3.1Å; D91-C93 PolarHBondContact O-N 2.74Å; C93-Y95 PolarHBondContact O-N 2.92Å; C93-H97 WeakPolarHBondContact CB-NE2 3.32Å
94	P	94.3	Very high	94.7	Very high	69 Å²	69	47.6 Å²	47.6	45%	0.448	28%	0.28	S	S	.	.	S	Bend	trans	-73.9	2.6	-175.4	31	-36.5	0	0	0	113.4	Y71 S72 D92	Y71-P94 CarbonylContact C-O 3.51Å; Y71-P94 WeakPolarHBondContact CA-O 3.45Å; S72-P94 PolarHBondContact N-O 2.79Å; D92-P94 WeakPolarHBondContact O-CD 3.3Å; D92-P94 VanDerWaalsContact O-N 3.14Å
95	Y	94.9	Very high	94.8	Very high	106 Å²	106	45.8 Å²	45.8	42%	0.416	27%	0.266	S	S	.	.	S	Bend	trans	-112.7	156.3	-176.9	-55	-65.3	0	0	0	111.6	R59 V75 C93	R59-Y95 PolarHBondContact NH2-O 2.88Å; V75-Y95 HydrophobicContact CB-CD1 4.05Å; V75-Y95 HydrophobicContact CG1-CD1 3.62Å; V75-Y95 HydrophobicContact CG1-CE1 3.94Å; V75-Y95 WeakPolarHBondContact O-CA 3.33Å; C93-Y95 PolarHBondContact O-N 2.92Å
96	L	96.3	Very high	94.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-74.1	127.9	-177.1	178.2	66.1	0	0	0	111.9	Y71 S72 V75 Y76 C77 E104 R105	Y71-L96 HydrophobicContact CD2-CD1 4.07Å; Y71-L96 HydrophobicContact CE2-CD1 3.69Å; S72-L96 WeakPolarHBondContact O-CB 3.4Å; V75-L96 WeakPolarHBondContact O-CB 3.42Å; V75-L96 PolarHBondContact O-N 2.57Å; Y76-L96 CarbonylContact C-O 3.48Å; Y76-L96 VanDerWaalsContact CA-O 3.3Å; Y76-L96 WeakPolarHBondContact CA-O 3.32Å; Y76-L96 HydrophobicContact CD1-CB 4.06Å; Y76-L96 HydrophobicContact CD1-CD2 3.51Å; Y76-L96 HydrophobicContact CD1-CG 3.63Å; Y76-L96 HydrophobicContact CD2-CD2 4.16Å; Y76-L96 HydrophobicContact CE1-CD2 3.26Å; Y76-L96 HydrophobicContact CE1-CG 3.69Å; Y76-L96 HydrophobicContact CE2-CD2 3.96Å; Y76-L96 HydrophobicContact CG-CB 4.42Å; Y76-L96 HydrophobicContact CG-CD2 3.99Å; Y76-L96 HydrophobicContact CG-CG 4.35Å; C77-L96 PolarHBondContact N-O 3.38Å; L96-E104 HydrophobicContact CD1-CB 3.49Å; L96-E104 VanDerWaalsContact CD1-CB 3.49Å; L96-R105 HydrophobicContact CD1-CB 4.11Å; L96-R105 HydrophobicContact CD2-CB 3.89Å; L96-R105 HydrophobicContact CD2-CG 3.96Å
97	H	96.5	Very high	95	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.037	26%	0.258	C	S	.	.			trans	-85	142.6	175.8	-64.2	163	0	0	0	111.8	R59 Y80 C87 G90 C93 T99 E104	R59-H97 VanDerWaalsContact CZ-CE1 3.41Å; R59-H97 PolarHBondContact NE-CE1 2.81Å; R59-H97 PolarHBondContact NE-ND1 2.92Å; Y80-H97 HydrophobicContact CD1-CB 4.08Å; Y80-H97 HydrophobicContact CD2-CB 3.53Å; Y80-H97 AromaticContact CD2-CD2 3.66Å; Y80-H97 AromaticContact CD2-CG 3.32Å; Y80-H97 AromaticContact CD2-ND1 3.6Å; Y80-H97 HydrophobicContact CE1-CB 4.16Å; Y80-H97 HydrophobicContact CE2-CB 3.64Å; Y80-H97 AromaticContact CE2-CG 3.75Å; Y80-H97 AromaticContact CE2-ND1 3.83Å; Y80-H97 HydrophobicContact CG-CB 3.75Å; Y80-H97 AromaticContact CG-CD2 3.87Å; Y80-H97 AromaticContact CG-CG 3.79Å; C87-H97 VanDerWaalsContact CB-CE1 3.49Å; C87-H97 WeakPolarHBondContact CB-CE1 3.32Å; C87-H97 WeakPolarHBondContact CB-NE2 3.36Å; C87-H97 PolarHBondContact SG-NE2 3.1Å; C87-H97 VanDerWaalsContact SG-NE2 3.37Å; G90-H97 PolarHBondContact O-CE1 3.06Å; C93-H97 WeakPolarHBondContact CB-NE2 3.32Å; H97-T99 HydrophobicContact CB-CG2 3.99Å; H97-T99 PolarHBondContact O-N 3.03Å; H97-E104 WeakPolarHBondContact CB-OE2 3.4Å; H97-E104 IonicContact CG-OE2 3.92Å; H97-E104 PolarHBondContact N-OE2 3.4Å; H97-E104 IonicContact ND1-OE1 2.71Å
98	R	94.7	Very high	95.1	Very high	60 Å²	60	45 Å²	45	23%	0.226	25%	0.253	C	S	.	.			trans	-84.4	57.8	179.2	-70.8	-172.7	178	-72.4	-1.9	111.1	Y76 Y80 E82	Y76-R98 HydrophobicContact CD1-CG 3.35Å; Y76-R98 HydrophobicContact CE1-CG 3.73Å; Y76-R98 HydrophobicContact CG-CG 4.17Å; Y76-R98 VanDerWaalsContact CZ-NH1 3.33Å; Y80-R98 HydrophobicContact CD1-CB 4.24Å; Y80-R98 HydrophobicContact CE1-CB 4.4Å; Y80-R98 WeakPolarHBondContact CE1-O 3.48Å; E82-R98 HydrophobicContact CG-CB 3.77Å; E82-R98 WeakPolarHBondContact OE1-CB 3.44Å; E82-R98 WeakPolarHBondContact OE1-CD 3.41Å
99	T	95.4	Very high	95.1	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.031	23%	0.227	C	C	.	.			trans	-62.4	157.3	-177.9	62.7	0	0	0	0	111.9	R57 H97 G101 D102 T103 E104	R57-T99 WeakPolarHBondContact O-CG2 3.43Å; H97-T99 HydrophobicContact CB-CG2 3.99Å; H97-T99 PolarHBondContact O-N 3.03Å; T99-G101 PolarHBondContact O-N 3.06Å; T99-D102 WeakPolarHBondContact O-CA 3.36Å; T99-D102 PolarHBondContact O-N 2.91Å; T99-T103 PolarHBondContact OG1-N 3.32Å; T99-T103 PolarHBondContact OG1-OG1 2.87Å; T99-E104 HydrophobicContact CG2-CG 3.83Å; T99-E104 PolarHBondContact OG1-N 2.87Å
100	T	92.8	Very high	95	Very high	59 Å²	59	40.5 Å²	40.5	36%	0.362	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	113.9	-178.6	-60.9	0	0	0	0	111	N55 Q56	N55-T100 WeakPolarHBondContact O-CB 3.36Å; N55-T100 PolarHBondContact O-N 3.4Å; N55-T100 PolarHBondContact O-OG1 3.08Å; N55-T100 PolarHBondContact OD1-OG1 3.41Å; Q56-T100 HydrophobicContact CG-CG2 4.19Å
101	G	90.3	Very high	95	Very high	51 Å²	51	40.3 Å²	40.3	53%	0.526	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	14	-176.6	0	0	0	0	0	115	T99 K106	T99-G101 PolarHBondContact O-N 3.06Å; G101-K106 WeakPolarHBondContact O-CD 3.46Å; G101-K106 WeakPolarHBondContact O-CE 3.44Å; G101-K106 PolarHBondContact O-NZ 3.41Å
102	D	94.3	Very high	95.1	Very high	38 Å²	38	36.8 Å²	36.8	20%	0.203	19%	0.19	C	C	.	.	S	Bend	trans	58.1	46.6	177.8	-174.4	55.8	0	0	0	112.4	Y76 T99 R105 K106	Y76-D102 PolarHBondContact OH-OD1 2.89Å; T99-D102 WeakPolarHBondContact O-CA 3.36Å; T99-D102 PolarHBondContact O-N 2.91Å; D102-R105 WeakPolarHBondContact OD1-CB 3.5Å; D102-K106 HydrophobicContact CB-CD 4.42Å; D102-K106 WeakPolarHBondContact O-CB 3.3Å; D102-K106 WeakPolarHBondContact O-CD 3.29Å; D102-K106 VanDerWaalsContact O-CG 3.27Å; D102-K106 WeakPolarHBondContact O-CG 3.45Å; D102-K106 PolarHBondContact O-N 3.19Å; D102-K106 VanDerWaalsContact O-N 3.08Å
103	T	95.5	Very high	95.1	Very high	8 Å²	8	31 Å²	31	5%	0.049	16%	0.159	C	C	.	.	H	α-helix	trans	-74.4	-36.4	-172.6	53.6	0	0	0	0	113.1	F27 R58 T99 R105 Y107	F27-T103 HydrophobicContact CE1-CG2 4.09Å; R58-T103 WeakPolarHBondContact CD-O 3.32Å; T99-T103 PolarHBondContact OG1-N 3.32Å; T99-T103 PolarHBondContact OG1-OG1 2.87Å; T103-R105 PolarHBondContact O-N 2.91Å; T103-Y107 HydrophobicContact CG2-CD2 4.44Å; T103-Y107 HydrophobicContact CG2-CE2 4.15Å; T103-Y107 WeakPolarHBondContact O-CD2 3.21Å; T103-Y107 PolarHBondContact O-N 2.97Å; T103-Y107 VanDerWaalsContact O-N 3.15Å
104	E	96.9	Very high	94.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-31.8	176.8	-78.8	-166.9	177.1	0	0	112.9	R58 R59 Y71 L96 H97 T99	R58-E104 HydrophobicContact CB-CG 4.08Å; R58-E104 HydrophobicContact CG-CG 4.01Å; R59-E104 WeakPolarHBondContact CB-OE1 3.14Å; R59-E104 VanDerWaalsContact CG-OE1 3.31Å; R59-E104 WeakPolarHBondContact CG-OE1 3.24Å; R59-E104 IonicContact CZ-OE1 2.69Å; R59-E104 IonicContact CZ-OE2 3.56Å; R59-E104 PolarHBondContact N-OE1 2.85Å; R59-E104 IonicContact NE-OE1 3.36Å; R59-E104 PolarHBondContact NE-OE1 3.14Å; R59-E104 IonicContact NE-OE2 3.76Å; R59-E104 PolarHBondContact NE-OE2 3.34Å; R59-E104 IonicContact NH2-OE1 2.93Å; R59-E104 IonicContact NH2-OE2 3.54Å; R59-E104 PolarHBondContact NH2-OE2 2.95Å; Y71-E104 HydrophobicContact CE2-CB 4.03Å; Y71-E104 PolarHBondContact OH-O 3.13Å; L96-E104 HydrophobicContact CD1-CB 3.49Å; L96-E104 VanDerWaalsContact CD1-CB 3.49Å; H97-E104 WeakPolarHBondContact CB-OE2 3.4Å; H97-E104 IonicContact CG-OE2 3.92Å; H97-E104 PolarHBondContact N-OE2 3.4Å; H97-E104 IonicContact ND1-OE1 2.71Å; T99-E104 HydrophobicContact CG2-CG 3.83Å; T99-E104 PolarHBondContact OG1-N 2.87Å
105	R	95.9	Very high	94.5	Very high	30 Å²	30	30.9 Å²	30.9	11%	0.113	16%	0.163	C	C	.	.	H	α-helix	trans	-83.2	-53	178.6	-163.3	176.4	-178.3	117.9	5.7	112.4	P73 D74 Y76 L96 D102 T103 Y107 H108 Y111	P73-R105 PolarHBondContact O-NH1 2.96Å; D74-R105 PolarHBondContact O-NH1 3.41Å; D74-R105 IonicContact OD1-CZ 3.13Å; D74-R105 IonicContact OD1-NH1 3.65Å; D74-R105 IonicContact OD1-NH2 3.14Å; D74-R105 PolarHBondContact OD1-NH2 2.97Å; D74-R105 IonicContact OD2-NH2 3.51Å; Y76-R105 VanDerWaalsContact OH-CD 3.27Å; Y76-R105 WeakPolarHBondContact OH-CD 3.42Å; L96-R105 HydrophobicContact CD1-CB 4.11Å; L96-R105 HydrophobicContact CD2-CB 3.89Å; L96-R105 HydrophobicContact CD2-CG 3.96Å; D102-R105 WeakPolarHBondContact OD1-CB 3.5Å; T103-R105 PolarHBondContact O-N 2.91Å; R105-Y107 PolarHBondContact O-N 3.39Å; R105-H108 VanDerWaalsContact O-CB 3.23Å; R105-H108 WeakPolarHBondContact O-CB 3.39Å; R105-H108 PolarHBondContact O-N 2.95Å; R105-Y111 HydrophobicContact CG-CD2 3.82Å; R105-Y111 HydrophobicContact CG-CE2 3.88Å; R105-Y111 PolarHBondContact NH2-OH 3.32Å
106	K	94.9	Very high	94.2	Very high	85 Å²	85	29 Å²	29	37%	0.37	16%	0.163	S	C	.	.	H	α-helix	trans	-60.6	-31.9	-175.8	-73.3	170.6	-173	167.8	0	112.9	G101 D102 Y112 A135	G101-K106 WeakPolarHBondContact O-CD 3.46Å; G101-K106 WeakPolarHBondContact O-CE 3.44Å; G101-K106 PolarHBondContact O-NZ 3.41Å; D102-K106 HydrophobicContact CB-CD 4.42Å; D102-K106 WeakPolarHBondContact O-CB 3.3Å; D102-K106 WeakPolarHBondContact O-CD 3.29Å; D102-K106 VanDerWaalsContact O-CG 3.27Å; D102-K106 WeakPolarHBondContact O-CG 3.45Å; D102-K106 PolarHBondContact O-N 3.19Å; D102-K106 VanDerWaalsContact O-N 3.08Å; K106-Y112 WeakPolarHBondContact O-CA 3.48Å; K106-A135 HydrophobicContact CB-CB 3.87Å
107	Y	97	Very high	93.9	Very high	15 Å²	15	30.1 Å²	30.1	6%	0.059	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	23.8	178.1	-56.4	-100.7	0	0	0	111.6	Y23 F27 R58 T103 R105 Y112 H133 A135	Y23-Y107 HydrophobicContact CD1-CD1 4.17Å; Y23-Y107 AromaticContact CD1-CE1 3.73Å; Y23-Y107 HydrophobicContact CD1-CE1 3.73Å; Y23-Y107 HydrophobicContact CE1-CE1 4.29Å; F27-Y107 AromaticContact CD1-CD1 3.78Å; F27-Y107 HydrophobicContact CD1-CD1 3.78Å; F27-Y107 AromaticContact CD1-CD2 3.94Å; F27-Y107 HydrophobicContact CD1-CD2 3.94Å; F27-Y107 AromaticContact CD1-CE1 3.55Å; F27-Y107 HydrophobicContact CD1-CE1 3.55Å; F27-Y107 AromaticContact CD1-CE2 3.73Å; F27-Y107 HydrophobicContact CD1-CE2 3.73Å; F27-Y107 AromaticContact CD1-CG 3.96Å; F27-Y107 HydrophobicContact CD1-CG 3.96Å; F27-Y107 AromaticContact CD1-CZ 3.49Å; F27-Y107 VanDerWaalsContact CD1-CZ 3.49Å; F27-Y107 HydrophobicContact CE1-CD1 4.38Å; F27-Y107 HydrophobicContact CE1-CD2 4.04Å; F27-Y107 AromaticContact CE1-CE1 3.78Å; F27-Y107 HydrophobicContact CE1-CE1 3.78Å; F27-Y107 AromaticContact CE1-CE2 3.4Å; F27-Y107 HydrophobicContact CE1-CE2 3.4Å; F27-Y107 VanDerWaalsContact CE1-CE2 3.4Å; F27-Y107 HydrophobicContact CE1-CG 4.48Å; F27-Y107 AromaticContact CE1-CZ 3.22Å; F27-Y107 VanDerWaalsContact CE1-OH 3.27Å; F27-Y107 WeakPolarHBondContact CE1-OH 3.4Å; F27-Y107 HydrophobicContact CG-CD1 4.31Å; F27-Y107 HydrophobicContact CG-CE1 4.05Å; F27-Y107 HydrophobicContact CZ-CE1 4.44Å; F27-Y107 HydrophobicContact CZ-CE2 4.36Å; F27-Y107 AromaticContact CZ-CZ 3.87Å; F27-Y107 WeakPolarHBondContact CZ-OH 3.44Å; R58-Y107 PolarHBondContact NH2-O 3.2Å; T103-Y107 HydrophobicContact CG2-CD2 4.44Å; T103-Y107 HydrophobicContact CG2-CE2 4.15Å; T103-Y107 WeakPolarHBondContact O-CD2 3.21Å; T103-Y107 PolarHBondContact O-N 2.97Å; T103-Y107 VanDerWaalsContact O-N 3.15Å; R105-Y107 PolarHBondContact O-N 3.39Å; Y107-Y112 AromaticContact CD1-CD2 3.52Å; Y107-Y112 HydrophobicContact CD1-CD2 3.52Å; Y107-Y112 AromaticContact CD1-CE2 3.43Å; Y107-Y112 HydrophobicContact CD1-CE2 3.43Å; Y107-Y112 VanDerWaalsContact CD1-CE2 3.43Å; Y107-Y112 HydrophobicContact CE1-CD2 4.18Å; Y107-Y112 AromaticContact CE1-CE2 3.72Å; Y107-Y112 HydrophobicContact CE1-CE2 3.72Å; Y107-Y112 HydrophobicContact CG-CD2 4.11Å; Y107-Y112 HydrophobicContact CG-CE2 4.44Å; Y107-H133 PolarHBondContact OH-O 3.29Å; Y107-A135 HydrophobicContact CE1-CB 4.32Å; Y107-A135 HydrophobicContact CE2-CB 4.33Å
108	H	97.2	Very high	93.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-74.3	149.7	171.8	-161.3	-96.7	0	0	0	111.1	P61 F69 Y71 R105 R110 Y111 Y112	P61-H108 VanDerWaalsContact CB-CD2 3.47Å; P61-H108 WeakPolarHBondContact CB-CD2 3.43Å; F69-H108 AromaticContact CD1-CE1 3.61Å; F69-H108 AromaticContact CD2-CE1 3.69Å; F69-H108 AromaticContact CE1-CE1 3.73Å; F69-H108 AromaticContact CE2-CE1 3.79Å; F69-H108 AromaticContact CG-CE1 3.6Å; F69-H108 AromaticContact CZ-CE1 3.82Å; Y71-H108 AromaticContact CE2-CD2 3.55Å; Y71-H108 AromaticContact CZ-CD2 3.7Å; R105-H108 VanDerWaalsContact O-CB 3.23Å; R105-H108 WeakPolarHBondContact O-CB 3.39Å; R105-H108 PolarHBondContact O-N 2.95Å; H108-R110 VanDerWaalsContact ND1-CB 3.29Å; H108-R110 WeakPolarHBondContact ND1-CB 3.19Å; H108-R110 PolarHBondContact ND1-N 3.15Å; H108-R110 VanDerWaalsContact ND1-N 3.19Å; H108-R110 PolarHBondContact O-N 2.88Å; H108-Y111 HydrophobicContact CB-CD2 4.39Å; H108-Y111 PolarHBondContact O-N 2.91Å; H108-Y112 WeakPolarHBondContact O-CB 3.44Å; H108-Y112 PolarHBondContact O-N 3.43Å
109	L	95.3	Very high	93.1	Very high	27 Å²	27	34.8 Å²	34.8	14%	0.141	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.9	174.4	-70.7	166.5	0	0	0	113.7	L24 P61 R63 F69 R144 V147	L24-L109 HydrophobicContact CD1-CD2 4.11Å; L24-L109 HydrophobicContact CD2-CD2 4.01Å; L24-L109 HydrophobicContact CD2-CG 4.49Å; P61-L109 HydrophobicContact CB-CD1 4.17Å; P61-L109 HydrophobicContact CB-CG 4.03Å; P61-L109 HydrophobicContact CG-CG 4.09Å; R63-L109 HydrophobicContact CB-CD1 4.36Å; F69-L109 HydrophobicContact CD1-CD1 4.28Å; F69-L109 HydrophobicContact CE1-CB 3.88Å; F69-L109 HydrophobicContact CE1-CD1 3.9Å; F69-L109 HydrophobicContact CZ-CB 4.38Å; L109-R144 PolarHBondContact O-NH1 2.72Å; L109-V147 HydrophobicContact CB-CB 4.07Å; L109-V147 HydrophobicContact CB-CG2 4.34Å; L109-V147 WeakPolarHBondContact O-CB 3.31Å; L109-V147 PolarHBondContact O-N 2.93Å; L109-V147 VanDerWaalsContact O-N 3.08Å
110	R	93.2	Very high	92.7	Very high	38 Å²	38	42.1 Å²	42.1	14%	0.143	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-19.4	-178.9	-176.3	60.2	-176.3	76.6	0.3	114.7	P73 H108 P146 V147 E152	P73-R110 HydrophobicContact CB-CB 3.83Å; P73-R110 HydrophobicContact CB-CG 3.92Å; P73-R110 HydrophobicContact CG-CB 4.36Å; P73-R110 HydrophobicContact CG-CG 4.15Å; H108-R110 VanDerWaalsContact ND1-CB 3.29Å; H108-R110 WeakPolarHBondContact ND1-CB 3.19Å; H108-R110 PolarHBondContact ND1-N 3.15Å; H108-R110 VanDerWaalsContact ND1-N 3.19Å; H108-R110 PolarHBondContact O-N 2.88Å; R110-P146 WeakPolarHBondContact O-CB 3.48Å; R110-V147 WeakPolarHBondContact CA-O 3.32Å; R110-V147 WeakPolarHBondContact CD-O 3.07Å; R110-E152 IonicContact CZ-OE1 2.62Å; R110-E152 VanDerWaalsContact CZ-OE1 3.3Å; R110-E152 IonicContact CZ-OE2 2.71Å; R110-E152 IonicContact NE-OE1 3.9Å; R110-E152 PolarHBondContact NE-OE1 2.87Å; R110-E152 IonicContact NE-OE2 3.68Å; R110-E152 PolarHBondContact NE-OE2 2.91Å; R110-E152 IonicContact NH2-OE1 3.22Å; R110-E152 PolarHBondContact NH2-OE1 3.3Å
111	Y	94	Very high	92.7	Very high	31 Å²	31	42.2 Å²	42.2	12%	0.122	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	-25.2	-168.7	-60.1	-50.2	0	0	0	115.9	P73 D74 R105 H108 K113 T114	P73-Y111 HydrophobicContact CB-CE2 3.91Å; P73-Y111 WeakPolarHBondContact O-CE2 3.47Å; D74-Y111 VanDerWaalsContact CG-OH 3.25Å; D74-Y111 PolarHBondContact OD1-OH 2.81Å; D74-Y111 PolarHBondContact OD2-OH 3.46Å; R105-Y111 HydrophobicContact CG-CD2 3.82Å; R105-Y111 HydrophobicContact CG-CE2 3.88Å; R105-Y111 PolarHBondContact NH2-OH 3.32Å; H108-Y111 HydrophobicContact CB-CD2 4.39Å; H108-Y111 PolarHBondContact O-N 2.91Å; Y111-K113 PolarHBondContact O-N 3.04Å; Y111-K113 VanDerWaalsContact O-N 3.17Å; Y111-T114 WeakPolarHBondContact CA-OG1 3.12Å; Y111-T114 PolarHBondContact O-N 2.98Å; Y111-T114 PolarHBondContact O-OG1 2.85Å
112	Y	96.3	Very high	92.8	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.02	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	121.9	-179	-176.4	-108.4	0	0	0	110.5	H20 Y23 L24 K106 Y107 H108 T114 A135 R144	H20-Y112 HydrophobicContact CB-CE1 4.09Å; Y23-Y112 WeakPolarHBondContact CB-OH 3.36Å; L24-Y112 HydrophobicContact CD1-CD1 4.19Å; L24-Y112 HydrophobicContact CD2-CD1 3.9Å; L24-Y112 HydrophobicContact CD2-CG 4.03Å; L24-Y112 HydrophobicContact CG-CD1 3.77Å; L24-Y112 HydrophobicContact CG-CE1 4.38Å; L24-Y112 HydrophobicContact CG-CG 4.36Å; K106-Y112 WeakPolarHBondContact O-CA 3.48Å; Y107-Y112 AromaticContact CD1-CD2 3.52Å; Y107-Y112 HydrophobicContact CD1-CD2 3.52Å; Y107-Y112 AromaticContact CD1-CE2 3.43Å; Y107-Y112 HydrophobicContact CD1-CE2 3.43Å; Y107-Y112 VanDerWaalsContact CD1-CE2 3.43Å; Y107-Y112 HydrophobicContact CE1-CD2 4.18Å; Y107-Y112 AromaticContact CE1-CE2 3.72Å; Y107-Y112 HydrophobicContact CE1-CE2 3.72Å; Y107-Y112 HydrophobicContact CG-CD2 4.11Å; Y107-Y112 HydrophobicContact CG-CE2 4.44Å; H108-Y112 WeakPolarHBondContact O-CB 3.44Å; H108-Y112 PolarHBondContact O-N 3.43Å; Y112-T114 WeakPolarHBondContact O-CG2 3.31Å; Y112-T114 PolarHBondContact O-N 2.92Å; Y112-T114 VanDerWaalsContact O-N 3.1Å; Y112-A135 HydrophobicContact CD2-CB 4.13Å; Y112-A135 HydrophobicContact CE2-CB 4.33Å; Y112-R144 WeakPolarHBondContact O-CD 3.49Å
113	K	94.7	Very high	92.6	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.057	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	14.8	-178.6	-61.3	-68.2	-172	176.2	0	115.5	Y111 G115 C134 A135 F136 A137 D142 L143 R144	Y111-K113 PolarHBondContact O-N 3.04Å; Y111-K113 VanDerWaalsContact O-N 3.17Å; K113-G115 VanDerWaalsContact C-N 3.29Å; K113-G115 PolarHBondContact O-N 3.25Å; K113-C134 VanDerWaalsContact CE-O 3.28Å; K113-C134 WeakPolarHBondContact CE-O 3.41Å; K113-C134 PolarHBondContact NZ-O 3.21Å; K113-A135 PolarHBondContact N-O 2.79Å; K113-F136 WeakPolarHBondContact CD-O 3.18Å; K113-F136 PolarHBondContact NZ-O 2.78Å; K113-A137 HydrophobicContact CD-CB 4.39Å; K113-D142 WeakPolarHBondContact CB-O 3.46Å; K113-D142 WeakPolarHBondContact CD-OD1 3.37Å; K113-D142 WeakPolarHBondContact CE-OD1 3.16Å; K113-D142 WeakPolarHBondContact CE-OD2 3.42Å; K113-D142 IonicContact NZ-OD1 2.68Å; K113-D142 PolarHBondContact NZ-OD1 3.15Å; K113-D142 IonicContact NZ-OD2 3.87Å; K113-D142 PolarHBondContact NZ-OD2 3.36Å; K113-L143 WeakPolarHBondContact O-CA 3.42Å; K113-R144 HydrophobicContact CB-CB 3.73Å; K113-R144 PolarHBondContact O-N 2.62Å
114	T	91.3	Very high	92.3	Very high	41 Å²	41	54.2 Å²	54.2	25%	0.252	28%	0.284	S	S	.	.	S	Bend	trans	-87	5.8	-178.2	77.6	0	0	0	0	114.4	Y111 Y112 R144 P146	Y111-T114 WeakPolarHBondContact CA-OG1 3.12Å; Y111-T114 PolarHBondContact O-N 2.98Å; Y111-T114 PolarHBondContact O-OG1 2.85Å; Y112-T114 WeakPolarHBondContact O-CG2 3.31Å; Y112-T114 PolarHBondContact O-N 2.92Å; Y112-T114 VanDerWaalsContact O-N 3.1Å; T114-R144 VanDerWaalsContact CA-O 3.29Å; T114-R144 WeakPolarHBondContact CA-O 3.32Å; T114-P146 HydrophobicContact CG2-CB 3.8Å
115	G	87.8	Confident	91.8	Very high	28 Å²	28	56.6 Å²	56.6	29%	0.289	31%	0.309	S	S	.	.	S	Bend	trans	-154.8	148.8	178.3	0	0	0	0	0	110.5	K113 A137	K113-G115 VanDerWaalsContact C-N 3.29Å; K113-G115 PolarHBondContact O-N 3.25Å; G115-A137 PolarHBondContact O-N 3.31Å
116	T	87.9	Confident	91.6	Very high	67 Å²	67	58.3 Å²	58.3	41%	0.411	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-69.1	150.4	-178.4	45.4	0	0	0	0	112.1	A137 L143	T116-A137 CarbonylContact C-O 3.55Å; T116-A137 WeakPolarHBondContact CA-O 3.46Å; T116-L143 HydrophobicContact CG2-CD1 4.13Å; T116-L143 HydrophobicContact CG2-CD2 4.16Å; T116-L143 HydrophobicContact CG2-CG 4.29Å
117	C	89.5	Confident	91.5	Very high	23 Å²	23	54.5 Å²	54.5	16%	0.155	30%	0.302	C	S	.	.			trans	-77.4	137.5	173.9	-160.7	0	0	0	0	110.6	H119 F136 A137 H138	C117-H119 PolarHBondContact O-N 2.85Å; C117-F136 HydrophobicContact CB-CB 3.71Å; C117-A137 PolarHBondContact N-O 3.04Å; C117-H138 VanDerWaalsContact CB-NE2 3.29Å; C117-H138 WeakPolarHBondContact CB-NE2 3.35Å; C117-H138 PolarHBondContact SG-NE2 3.31Å; C117-H138 VanDerWaalsContact SG-NE2 3.4Å
118	I	87.8	Confident	91.2	Very high	111 Å²	111	58.3 Å²	58.3	57%	0.569	33%	0.327	S	S	*	.	S	Bend	trans	-81.2	-0.8	171.5	63.5	165.4	0	0	0	113.2
119	H	87.5	Confident	90.9	Very high	55 Å²	55	65.2 Å²	65.2	26%	0.255	36%	0.357	S	S	.	.	S	Bend	trans	-115.3	137.4	-178.7	-63	-51.2	0	0	0	109.2	C117 V128 K129 H138	C117-H119 PolarHBondContact O-N 2.85Å; H119-V128 HydrophobicContact CB-CG2 4.28Å; H119-K129 VanDerWaalsContact CD2-CD 3.45Å; H119-K129 WeakPolarHBondContact CD2-CD 3.41Å; H119-K129 WeakPolarHBondContact NE2-CD 3.42Å; H119-K129 PolarHBondContact NE2-NZ 3.03Å; H119-H138 PolarHBondContact O-CE1 3.47Å
120	E	87.1	Confident	90.6	Very high	159 Å²	159	67.3 Å²	67.3	74%	0.743	37%	0.368	S	S	*	.			trans	-64.3	172.3	-179.2	-64.7	-178.7	161.7	0	0	112.7	V128	E120-V128 PolarHBondContact O-N 2.86Å
121	T	92.8	Very high	90.5	Very high	61 Å²	61	66.9 Å²	66.9	37%	0.374	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-108.6	135.3	-176.5	-44.9	0	0	0	0	108.7	G125 H126 H138	T121-G125 VanDerWaalsContact CG2-CA 3.4Å; T121-G125 WeakPolarHBondContact CG2-O 3.44Å; T121-H126 CarbonylContact C-O 3.55Å; T121-H126 VanDerWaalsContact CA-O 3.31Å; T121-H126 WeakPolarHBondContact CA-O 3.43Å; T121-H138 PolarHBondContact OG1-ND1 3.36Å
122	D	92.1	Very high	90.3	Very high	39 Å²	39	69.6 Å²	69.6	21%	0.209	39%	0.392	C	S	.	.			trans	-69.4	168.6	172.2	82.7	-11.2	0	0	0	111.4	R124 G125 H126 V128	D122-R124 PolarHBondContact O-N 3.14Å; D122-R124 WeakPolarHBondContact OD1-CA 3.36Å; D122-R124 WeakPolarHBondContact OD1-CB 3.34Å; D122-R124 PolarHBondContact OD1-N 2.75Å; D122-R124 IonicContact OD2-CZ 3.53Å; D122-R124 IonicContact OD2-NE 2.7Å; D122-R124 PolarHBondContact OD2-NE 2.9Å; D122-R124 IonicContact OD2-NH2 3.25Å; D122-R124 PolarHBondContact OD2-NH2 3.44Å; D122-G125 PolarHBondContact O-N 3.18Å; D122-G125 PolarHBondContact OD1-N 3Å; D122-G125 VanDerWaalsContact OD1-N 3.14Å; D122-H126 PolarHBondContact N-O 2.85Å; D122-H126 IonicContact OD1-CG 3.91Å; D122-H126 PolarHBondContact OD1-N 2.94Å; D122-H126 IonicContact OD1-ND1 2.6Å; D122-H126 IonicContact OD2-ND1 3.89Å; D122-V128 HydrophobicContact CB-CG1 4.38Å
123	A	90.6	Very high	90.2	Very high	115 Å²	115	70.4 Å²	70.4	95%	0.95	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	2.1	179	0	0	0	0	0	114.8
124	R	88.8	Confident	90.2	Very high	194 Å²	194	70 Å²	70	73%	0.732	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	2.3	178	-57.1	171.9	-66.2	-162.9	-2.8	112.8	D122 H126	D122-R124 PolarHBondContact O-N 3.14Å; D122-R124 WeakPolarHBondContact OD1-CA 3.36Å; D122-R124 WeakPolarHBondContact OD1-CB 3.34Å; D122-R124 PolarHBondContact OD1-N 2.75Å; D122-R124 IonicContact OD2-CZ 3.53Å; D122-R124 IonicContact OD2-NE 2.7Å; D122-R124 PolarHBondContact OD2-NE 2.9Å; D122-R124 IonicContact OD2-NH2 3.25Å; D122-R124 PolarHBondContact OD2-NH2 3.44Å; R124-H126 PolarHBondContact O-CE1 3.33Å
125	G	86.2	Confident	90.4	Very high	51 Å²	51	68.5 Å²	68.5	53%	0.526	39%	0.386	S	S	.	.	S	Bend	trans	91.2	11.8	180	0	0	0	0	0	115.5	T121 D122	T121-G125 VanDerWaalsContact CG2-CA 3.4Å; T121-G125 WeakPolarHBondContact CG2-O 3.44Å; D122-G125 PolarHBondContact O-N 3.18Å; D122-G125 PolarHBondContact OD1-N 3Å; D122-G125 VanDerWaalsContact OD1-N 3.14Å
126	H	91.7	Very high	90.8	Very high	66 Å²	66	71.5 Å²	71.5	31%	0.306	39%	0.392	S	S	.	.			trans	-108.5	151.2	-176.2	-51.3	113.8	0	0	0	113.1	T121 D122 R124 V128 L132	T121-H126 CarbonylContact C-O 3.55Å; T121-H126 VanDerWaalsContact CA-O 3.31Å; T121-H126 WeakPolarHBondContact CA-O 3.43Å; D122-H126 PolarHBondContact N-O 2.85Å; D122-H126 IonicContact OD1-CG 3.91Å; D122-H126 PolarHBondContact OD1-N 2.94Å; D122-H126 IonicContact OD1-ND1 2.6Å; D122-H126 IonicContact OD2-ND1 3.89Å; R124-H126 PolarHBondContact O-CE1 3.33Å; H126-V128 PolarHBondContact O-N 2.96Å; H126-L132 WeakPolarHBondContact CD2-CB 3.38Å
127	C	93.3	Very high	91	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.034	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-64.3	128.7	176.7	-178.3	0	0	0	0	111.7	K129 N130 G131 C134 H138	C127-K129 PolarHBondContact O-N 3.18Å; C127-N130 HydrophobicContact CB-CB 4.09Å; C127-N130 PolarHBondContact O-N 3.42Å; C127-N130 PolarHBondContact SG-N 3.46Å; C127-N130 VanDerWaalsContact SG-N 3.4Å; C127-G131 WeakPolarHBondContact CB-O 3.49Å; C127-G131 PolarHBondContact N-O 2.88Å; C127-G131 VanDerWaalsContact N-O 3.16Å; C127-G131 VanDerWaalsContact O-CA 3.27Å; C127-G131 WeakPolarHBondContact O-CA 3.17Å; C127-G131 PolarHBondContact O-N 3.38Å; C127-C134 HydrophobicContact CB-CB 3.51Å; C127-H138 VanDerWaalsContact CB-CE1 3.49Å; C127-H138 WeakPolarHBondContact CB-CE1 3.48Å; C127-H138 WeakPolarHBondContact CB-NE2 3.36Å
128	V	91.1	Very high	91	Very high	96 Å²	96	68.8 Å²	68.8	58%	0.582	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.3	179.3	-62.2	0	0	0	0	114.2	H119 E120 D122 H126	H119-V128 HydrophobicContact CB-CG2 4.28Å; E120-V128 PolarHBondContact O-N 2.86Å; D122-V128 HydrophobicContact CB-CG1 4.38Å; H126-V128 PolarHBondContact O-N 2.96Å
129	K	90.1	Very high	90.9	Very high	144 Å²	144	64.5 Å²	64.5	63%	0.626	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-42.4	179.6	-174.1	-177	-179.3	175.7	0	114.2	H119 C127	H119-K129 VanDerWaalsContact CD2-CD 3.45Å; H119-K129 WeakPolarHBondContact CD2-CD 3.41Å; H119-K129 WeakPolarHBondContact NE2-CD 3.42Å; H119-K129 PolarHBondContact NE2-NZ 3.03Å; C127-K129 PolarHBondContact O-N 3.18Å
130	N	89.1	Confident	90.8	Very high	71 Å²	71	67.2 Å²	67.2	38%	0.38	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.2	-172.2	-58.3	-39	0	0	0	113.1	C127 C134	C127-N130 HydrophobicContact CB-CB 4.09Å; C127-N130 PolarHBondContact O-N 3.42Å; C127-N130 PolarHBondContact SG-N 3.46Å; C127-N130 VanDerWaalsContact SG-N 3.4Å; N130-C134 HydrophobicContact CB-CB 3.96Å; N130-C134 PolarHBondContact ND2-SG 2.8Å; N130-C134 VanDerWaalsContact ND2-SG 3.41Å
131	G	90.8	Very high	90.8	Very high	29 Å²	29	66.1 Å²	66.1	30%	0.299	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	62.3	-152.6	-176.3	0	0	0	0	0	113.4	C127 H133 C134	C127-G131 WeakPolarHBondContact CB-O 3.49Å; C127-G131 PolarHBondContact N-O 2.88Å; C127-G131 VanDerWaalsContact N-O 3.16Å; C127-G131 VanDerWaalsContact O-CA 3.27Å; C127-G131 WeakPolarHBondContact O-CA 3.17Å; C127-G131 PolarHBondContact O-N 3.38Å; G131-H133 PolarHBondContact O-N 3.45Å; G131-C134 PolarHBondContact O-N 2.83Å
132	L	90.8	Very high	90.8	Very high	88 Å²	88	64.5 Å²	64.5	46%	0.461	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.7	-179.2	66.1	138.2	0	0	0	114.4	Y23 H126 C134	Y23-L132 PolarHBondContact OH-O 3.49Å; H126-L132 WeakPolarHBondContact CD2-CB 3.38Å; L132-C134 VanDerWaalsContact C-N 3.28Å; L132-C134 PolarHBondContact O-N 3.47Å
133	H	94.4	Very high	90.8	Very high	22 Å²	22	65.9 Å²	65.9	10%	0.102	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	27.1	-179.3	-53.5	-41.7	0	0	0	112.3	Y23 F27 T47 Y107 G131 A135	Y23-H133 HydrophobicContact CE1-CB 4.28Å; Y23-H133 AromaticContact CE1-ND1 3.53Å; Y23-H133 AromaticContact CZ-ND1 3.64Å; Y23-H133 PolarHBondContact OH-ND1 2.89Å; F27-H133 HydrophobicContact CE2-CB 4.17Å; F27-H133 AromaticContact CE2-CD2 3.84Å; F27-H133 AromaticContact CE2-CE1 3.96Å; F27-H133 AromaticContact CE2-CG 3.71Å; F27-H133 AromaticContact CE2-ND1 3.79Å; F27-H133 AromaticContact CE2-NE2 4Å; F27-H133 HydrophobicContact CZ-CB 4.21Å; T47-H133 PolarHBondContact O-NE2 3.33Å; Y107-H133 PolarHBondContact OH-O 3.29Å; G131-H133 PolarHBondContact O-N 3.45Å; H133-A135 PolarHBondContact O-N 3.18Å; H133-A135 VanDerWaalsContact O-N 3.11Å
134	C	94.6	Very high	90.8	Very high	4 Å²	4	61.2 Å²	61.2	3%	0.027	33%	0.326	C	S	.	.			trans	-68	115.2	-180	-165.9	0	0	0	0	111.1	K113 C127 N130 G131 L132 F136 H138	K113-C134 VanDerWaalsContact CE-O 3.28Å; K113-C134 WeakPolarHBondContact CE-O 3.41Å; K113-C134 PolarHBondContact NZ-O 3.21Å; C127-C134 HydrophobicContact CB-CB 3.51Å; N130-C134 HydrophobicContact CB-CB 3.96Å; N130-C134 PolarHBondContact ND2-SG 2.8Å; N130-C134 VanDerWaalsContact ND2-SG 3.41Å; G131-C134 PolarHBondContact O-N 2.83Å; L132-C134 VanDerWaalsContact C-N 3.28Å; L132-C134 PolarHBondContact O-N 3.47Å; C134-F136 PolarHBondContact O-N 3.33Å; C134-H138 PolarHBondContact SG-NE2 3.1Å
135	A	94.9	Very high	90.7	Very high	10 Å²	10	56 Å²	56	8%	0.083	32%	0.318	C	S	.	.	S	Bend	trans	-71.1	-9.3	179.3	0	0	0	0	0	114.6	K106 Y107 Y112 K113 H133	K106-A135 HydrophobicContact CB-CB 3.87Å; Y107-A135 HydrophobicContact CE1-CB 4.32Å; Y107-A135 HydrophobicContact CE2-CB 4.33Å; Y112-A135 HydrophobicContact CD2-CB 4.13Å; Y112-A135 HydrophobicContact CE2-CB 4.33Å; K113-A135 PolarHBondContact N-O 2.79Å; H133-A135 PolarHBondContact O-N 3.18Å; H133-A135 VanDerWaalsContact O-N 3.11Å
136	F	95.3	Very high	90.8	Very high	91 Å²	91	55.5 Å²	55.5	40%	0.399	31%	0.305	S	S	.	.	S	Bend	trans	-95.8	157.6	173.5	-63	-85.3	0	0	0	110.9	K113 C117 C134 H138	K113-F136 WeakPolarHBondContact CD-O 3.18Å; K113-F136 PolarHBondContact NZ-O 2.78Å; C117-F136 HydrophobicContact CB-CB 3.71Å; C134-F136 PolarHBondContact O-N 3.33Å; F136-H138 PolarHBondContact O-CD2 2.87Å
137	A	92.1	Very high	90.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-82.6	131	-175.3	0	0	0	0	0	112.9	K113 G115 T116 C117 G139 D142 L143	K113-A137 HydrophobicContact CD-CB 4.39Å; G115-A137 PolarHBondContact O-N 3.31Å; T116-A137 CarbonylContact C-O 3.55Å; T116-A137 WeakPolarHBondContact CA-O 3.46Å; C117-A137 PolarHBondContact N-O 3.04Å; A137-G139 VanDerWaalsContact C-N 3.32Å; A137-G139 PolarHBondContact O-N 3.17Å; A137-D142 VanDerWaalsContact CA-OD2 3.29Å; A137-D142 WeakPolarHBondContact CA-OD2 3.42Å; A137-D142 HydrophobicContact CB-CB 4.28Å; A137-D142 VanDerWaalsContact CB-O 3.29Å; A137-D142 WeakPolarHBondContact CB-O 3.42Å; A137-L143 HydrophobicContact CB-CB 4.33Å; A137-L143 HydrophobicContact CB-CD2 3.51Å; A137-L143 HydrophobicContact CB-CG 3.73Å
138	H	91.1	Very high	90.6	Very high	32 Å²	32	57.4 Å²	57.4	15%	0.148	31%	0.313	C	S	.	.	S	Bend	trans	-94.8	54	177.4	-78.1	-97.5	0	0	0	112.3	C117 H119 T121 C127 C134 F136 H141 D142	C117-H138 VanDerWaalsContact CB-NE2 3.29Å; C117-H138 WeakPolarHBondContact CB-NE2 3.35Å; C117-H138 PolarHBondContact SG-NE2 3.31Å; C117-H138 VanDerWaalsContact SG-NE2 3.4Å; H119-H138 PolarHBondContact O-CE1 3.47Å; T121-H138 PolarHBondContact OG1-ND1 3.36Å; C127-H138 VanDerWaalsContact CB-CE1 3.49Å; C127-H138 WeakPolarHBondContact CB-CE1 3.48Å; C127-H138 WeakPolarHBondContact CB-NE2 3.36Å; C134-H138 PolarHBondContact SG-NE2 3.1Å; F136-H138 PolarHBondContact O-CD2 2.87Å; H138-H141 PolarHBondContact O-CE1 3Å; H138-D142 PolarHBondContact N-OD2 2.62Å
139	G	85.7	Confident	90.6	Very high	21 Å²	21	53.3 Å²	53.3	22%	0.216	29%	0.288	C	S	.	.	S	Bend	trans	116.4	172.4	179.1	0	0	0	0	0	113.2	A137 H141 D142 L143	A137-G139 VanDerWaalsContact C-N 3.32Å; A137-G139 PolarHBondContact O-N 3.17Å; G139-H141 VanDerWaalsContact C-N 3.26Å; G139-H141 PolarHBondContact O-N 3.28Å; G139-D142 PolarHBondContact O-N 2.83Å; G139-L143 PolarHBondContact O-N 3.21Å
140	P	85.4	Confident	90.4	Very high	113 Å²	113	48.7 Å²	48.7	73%	0.734	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-61.4	-31	-173.2	-25.1	35.2	0	0	0	114.3	D142 L143	P140-D142 PolarHBondContact O-N 3.01Å; P140-L143 PolarHBondContact O-N 2.66Å
141	H	87.1	Confident	90.3	Very high	136 Å²	136	52.2 Å²	52.2	63%	0.63	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-70.9	-16.5	178	64.7	-95.7	0	0	0	113.6	K17 H138 G139	K17-H141 PolarHBondContact NZ-O 2.78Å; H138-H141 PolarHBondContact O-CE1 3Å; G139-H141 VanDerWaalsContact C-N 3.26Å; G139-H141 PolarHBondContact O-N 3.28Å
142	D	92	Very high	90	Very high	26 Å²	26	52.5 Å²	52.5	14%	0.139	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-107.4	0.8	177.5	-173.4	38	0	0	0	111.8	H20 K113 A137 H138 G139 P140	H20-D142 IonicContact CD2-OD1 2.82Å; H20-D142 PolarHBondContact CE1-O 2.85Å; H20-D142 IonicContact CE1-OD1 2.71Å; H20-D142 IonicContact NE2-OD1 2.64Å; H20-D142 PolarHBondContact NE2-OD1 3.05Å; K113-D142 WeakPolarHBondContact CB-O 3.46Å; K113-D142 WeakPolarHBondContact CD-OD1 3.37Å; K113-D142 WeakPolarHBondContact CE-OD1 3.16Å; K113-D142 WeakPolarHBondContact CE-OD2 3.42Å; K113-D142 IonicContact NZ-OD1 2.68Å; K113-D142 PolarHBondContact NZ-OD1 3.15Å; K113-D142 IonicContact NZ-OD2 3.87Å; K113-D142 PolarHBondContact NZ-OD2 3.36Å; A137-D142 VanDerWaalsContact CA-OD2 3.29Å; A137-D142 WeakPolarHBondContact CA-OD2 3.42Å; A137-D142 HydrophobicContact CB-CB 4.28Å; A137-D142 VanDerWaalsContact CB-O 3.29Å; A137-D142 WeakPolarHBondContact CB-O 3.42Å; H138-D142 PolarHBondContact N-OD2 2.62Å; G139-D142 PolarHBondContact O-N 2.83Å; P140-D142 PolarHBondContact O-N 3.01Å
143	L	91	Very high	89.5	Confident	68 Å²	68	50.6 Å²	50.6	36%	0.356	26%	0.261	S	S	.	.			trans	-73.5	150.8	170.9	-81.5	172.8	0	0	0	111.6	K113 T116 A137 G139 P140	K113-L143 WeakPolarHBondContact O-CA 3.42Å; T116-L143 HydrophobicContact CG2-CD1 4.13Å; T116-L143 HydrophobicContact CG2-CD2 4.16Å; T116-L143 HydrophobicContact CG2-CG 4.29Å; A137-L143 HydrophobicContact CB-CB 4.33Å; A137-L143 HydrophobicContact CB-CD2 3.51Å; A137-L143 HydrophobicContact CB-CG 3.73Å; G139-L143 PolarHBondContact O-N 3.21Å; P140-L143 PolarHBondContact O-N 2.66Å
144	R	91	Very high	88.9	Confident	17 Å²	17	54.6 Å²	54.6	6%	0.064	28%	0.28	C	S	.	.			trans	-140.1	135.9	-176.1	-179	-177.2	169.7	-80.9	-9.3	110.7	E16 L109 Y112 K113 T114	E16-R144 WeakPolarHBondContact OE1-CD 3.47Å; E16-R144 IonicContact OE1-CZ 3.79Å; E16-R144 IonicContact OE1-NE 2.79Å; E16-R144 PolarHBondContact OE1-NE 2.71Å; E16-R144 IonicContact OE2-CZ 2.9Å; E16-R144 VanDerWaalsContact OE2-CZ 3.22Å; E16-R144 IonicContact OE2-NE 3.73Å; E16-R144 PolarHBondContact OE2-NE 2.76Å; E16-R144 IonicContact OE2-NH2 3.54Å; E16-R144 PolarHBondContact OE2-NH2 3.28Å; L109-R144 PolarHBondContact O-NH1 2.72Å; Y112-R144 WeakPolarHBondContact O-CD 3.49Å; K113-R144 HydrophobicContact CB-CB 3.73Å; K113-R144 PolarHBondContact O-N 2.62Å; T114-R144 VanDerWaalsContact CA-O 3.29Å; T114-R144 WeakPolarHBondContact CA-O 3.32Å
145	P	87.1	Confident	88	Confident	86 Å²	86	56.9 Å²	56.9	56%	0.558	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-61	137.7	173.7	-24.1	34.8	0	0	0	112.5
146	P	88.9	Confident	87	Confident	40 Å²	40	59.6 Å²	59.6	26%	0.26	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-67.1	134.6	171.6	26.5	-32.7	0	0	0	111.2	R110 T114 Y148	R110-P146 WeakPolarHBondContact O-CB 3.48Å; T114-P146 HydrophobicContact CG2-CB 3.8Å; P146-Y148 HydrophobicContact CB-CE2 4.19Å; P146-Y148 HydrophobicContact CG-CE2 3.74Å; P146-Y148 WeakPolarHBondContact CG-OH 3.3Å; P146-Y148 WeakPolarHBondContact O-CD2 3.06Å; P146-Y148 WeakPolarHBondContact O-CE2 3.39Å
147	V	91.8	Very high	86.1	Confident	37 Å²	37	60.3 Å²	60.3	22%	0.224	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-88	129.6	168.3	-176.2	0	0	0	0	108.3	F69 L109 R110	F69-V147 HydrophobicContact CE1-CG1 4.16Å; F69-V147 HydrophobicContact CZ-CB 4.36Å; F69-V147 HydrophobicContact CZ-CG1 4.03Å; F69-V147 WeakPolarHBondContact CZ-O 3.47Å; L109-V147 HydrophobicContact CB-CB 4.07Å; L109-V147 HydrophobicContact CB-CG2 4.34Å; L109-V147 WeakPolarHBondContact O-CB 3.31Å; L109-V147 PolarHBondContact O-N 2.93Å; L109-V147 VanDerWaalsContact O-N 3.08Å; R110-V147 WeakPolarHBondContact CA-O 3.32Å; R110-V147 WeakPolarHBondContact CD-O 3.07Å
148	Y	89.1	Confident	85.2	Confident	73 Å²	73	63.2 Å²	63.2	29%	0.286	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-100.4	152	-179	-63.9	-89.6	0	0	0	111.9	R63 P146 E152 I153	R63-Y148 PolarHBondContact NE-O 2.69Å; P146-Y148 HydrophobicContact CB-CE2 4.19Å; P146-Y148 HydrophobicContact CG-CE2 3.74Å; P146-Y148 WeakPolarHBondContact CG-OH 3.3Å; P146-Y148 WeakPolarHBondContact O-CD2 3.06Å; P146-Y148 WeakPolarHBondContact O-CE2 3.39Å; Y148-E152 HydrophobicContact CD1-CG 4.23Å; Y148-E152 WeakPolarHBondContact CD1-OE2 3.27Å; Y148-I153 HydrophobicContact CG-CG1 4.48Å
149	D	89.6	Confident	83.8	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.053	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-74	144.7	167	-168.4	-76.3	0	0	0	109.1	T68 F69 R151 E152 I153	T68-D149 WeakPolarHBondContact CA-OD2 3.36Å; F69-D149 HydrophobicContact CD2-CB 3.71Å; F69-D149 HydrophobicContact CE2-CB 3.76Å; F69-D149 PolarHBondContact N-OD2 3.06Å; D149-R151 PolarHBondContact O-N 2.97Å; D149-R151 VanDerWaalsContact O-N 3.13Å; D149-R151 WeakPolarHBondContact OD1-CB 3.38Å; D149-R151 IonicContact OD1-CZ 3.5Å; D149-R151 PolarHBondContact OD1-N 3.2Å; D149-R151 IonicContact OD1-NE 2.79Å; D149-R151 PolarHBondContact OD1-NE 3.39Å; D149-R151 IonicContact OD1-NH2 3.37Å; D149-R151 PolarHBondContact OD1-NH2 3.19Å; D149-R151 IonicContact OD2-CZ 3.65Å; D149-R151 IonicContact OD2-NE 3.72Å; D149-R151 IonicContact OD2-NH2 2.74Å; D149-R151 PolarHBondContact OD2-NH2 2.85Å; D149-E152 HydrophobicContact CB-CB 4.25Å; D149-E152 WeakPolarHBondContact O-CA 3.29Å; D149-E152 WeakPolarHBondContact O-CB 3.26Å; D149-E152 PolarHBondContact O-N 3.46Å; D149-I153 PolarHBondContact O-N 3.12Å
150	I	86.8	Confident	82.5	Confident	47 Å²	47	73 Å²	73	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-53.7	-34.7	177.8	-171.9	58.7	0	0	0	112.9	G67 T68 I153 Q154	G67-I150 PolarHBondContact O-N 2.68Å; T68-I150 HydrophobicContact CG2-CG2 3.71Å; I150-I153 PolarHBondContact O-N 2.97Å; I150-Q154 HydrophobicContact CD1-CG 4.43Å; I150-Q154 HydrophobicContact CG1-CG 4.47Å; I150-Q154 WeakPolarHBondContact O-CG 3.49Å; I150-Q154 PolarHBondContact O-N 3.42Å
151	R	86.3	Confident	80.9	Confident	145 Å²	145	73.5 Å²	73.5	55%	0.547	38%	0.378	S	S	.	.	H	α-helix	trans	-70.1	-31.8	177	-64.4	163.7	-70.7	-163	0.8	112.4	D149 A155	D149-R151 PolarHBondContact O-N 2.97Å; D149-R151 VanDerWaalsContact O-N 3.13Å; D149-R151 WeakPolarHBondContact OD1-CB 3.38Å; D149-R151 IonicContact OD1-CZ 3.5Å; D149-R151 PolarHBondContact OD1-N 3.2Å; D149-R151 IonicContact OD1-NE 2.79Å; D149-R151 PolarHBondContact OD1-NE 3.39Å; D149-R151 IonicContact OD1-NH2 3.37Å; D149-R151 PolarHBondContact OD1-NH2 3.19Å; D149-R151 IonicContact OD2-CZ 3.65Å; D149-R151 IonicContact OD2-NE 3.72Å; D149-R151 IonicContact OD2-NH2 2.74Å; D149-R151 PolarHBondContact OD2-NH2 2.85Å; R151-A155 VanDerWaalsContact O-CB 3.25Å; R151-A155 WeakPolarHBondContact O-CB 3.44Å; R151-A155 PolarHBondContact O-N 2.78Å; R151-A155 VanDerWaalsContact O-N 3.12Å
152	E	84.7	Confident	79.2	Confident	36 Å²	36	70.1 Å²	70.1	17%	0.168	38%	0.379	C	S	.	.	H	α-helix	trans	-74.7	-29.2	175.7	-161.1	-172.2	167.6	0	0	111.5	R110 Y148 D149 Q156	R110-E152 IonicContact CZ-OE1 2.62Å; R110-E152 VanDerWaalsContact CZ-OE1 3.3Å; R110-E152 IonicContact CZ-OE2 2.71Å; R110-E152 IonicContact NE-OE1 3.9Å; R110-E152 PolarHBondContact NE-OE1 2.87Å; R110-E152 IonicContact NE-OE2 3.68Å; R110-E152 PolarHBondContact NE-OE2 2.91Å; R110-E152 IonicContact NH2-OE1 3.22Å; R110-E152 PolarHBondContact NH2-OE1 3.3Å; Y148-E152 HydrophobicContact CD1-CG 4.23Å; Y148-E152 WeakPolarHBondContact CD1-OE2 3.27Å; D149-E152 HydrophobicContact CB-CB 4.25Å; D149-E152 WeakPolarHBondContact O-CA 3.29Å; D149-E152 WeakPolarHBondContact O-CB 3.26Å; D149-E152 PolarHBondContact O-N 3.46Å; E152-Q156 WeakPolarHBondContact O-CG 3.5Å; E152-Q156 PolarHBondContact O-N 3.27Å; E152-Q156 PolarHBondContact O-NE2 3.39Å
153	I	80.1	Confident	77	Confident	47 Å²	47	76.9 Å²	76.9	24%	0.241	41%	0.41	C	S	.	.	H	α-helix	trans	-72	-55.4	173.2	-61.4	170.1	0	0	0	109.9	Y148 D149 I150 A155 Q156 E157	Y148-I153 HydrophobicContact CG-CG1 4.48Å; D149-I153 PolarHBondContact O-N 3.12Å; I150-I153 PolarHBondContact O-N 2.97Å; I153-A155 VanDerWaalsContact C-N 3.27Å; I153-A155 PolarHBondContact O-N 3.14Å; I153-Q156 WeakPolarHBondContact O-CA 3.32Å; I153-Q156 WeakPolarHBondContact O-CB 3.33Å; I153-Q156 PolarHBondContact O-N 3.39Å; I153-E157 HydrophobicContact CG2-CG 4.34Å; I153-E157 WeakPolarHBondContact CG2-OE1 3.43Å; I153-E157 PolarHBondContact O-N 3.01Å
154	Q	82.9	Confident	74.8	Confident	107 Å²	107	81.6 Å²	81.6	50%	0.5	44%	0.435	S	S	.	.	H	α-helix	trans	-57.6	-38.2	-179.3	-72.1	170.3	-24.7	0	0	112.5	I150 Q156 E157 A158	I150-Q154 HydrophobicContact CD1-CG 4.43Å; I150-Q154 HydrophobicContact CG1-CG 4.47Å; I150-Q154 WeakPolarHBondContact O-CG 3.49Å; I150-Q154 PolarHBondContact O-N 3.42Å; Q154-Q156 VanDerWaalsContact C-N 3.32Å; Q154-Q156 PolarHBondContact O-N 2.74Å; Q154-E157 PolarHBondContact O-N 3.13Å; Q154-A158 WeakPolarHBondContact O-CB 3.29Å; Q154-A158 PolarHBondContact O-N 2.83Å
155	A	75.6	Confident	72	Confident	52 Å²	52	84.3 Å²	84.3	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-66.3	-30.5	174.6	0	0	0	0	0	113.4	R151 I153 L159	R151-A155 VanDerWaalsContact O-CB 3.25Å; R151-A155 WeakPolarHBondContact O-CB 3.44Å; R151-A155 PolarHBondContact O-N 2.78Å; R151-A155 VanDerWaalsContact O-N 3.12Å; I153-A155 VanDerWaalsContact C-N 3.27Å; I153-A155 PolarHBondContact O-N 3.14Å; A155-L159 VanDerWaalsContact O-CD1 3.3Å; A155-L159 WeakPolarHBondContact O-CD1 3.45Å; A155-L159 VanDerWaalsContact O-CG 3.25Å; A155-L159 WeakPolarHBondContact O-CG 3.32Å
156	Q	73.5	Confident	69.7	Low	67 Å²	67	86.6 Å²	86.6	31%	0.313	49%	0.486	S	S	.	.	H	α-helix	trans	-76.1	-41	173.8	-76.2	173.1	94.9	0	0	111.5	E152 I153 Q154 L159 Q160	E152-Q156 WeakPolarHBondContact O-CG 3.5Å; E152-Q156 PolarHBondContact O-N 3.27Å; E152-Q156 PolarHBondContact O-NE2 3.39Å; I153-Q156 WeakPolarHBondContact O-CA 3.32Å; I153-Q156 WeakPolarHBondContact O-CB 3.33Å; I153-Q156 PolarHBondContact O-N 3.39Å; Q154-Q156 VanDerWaalsContact C-N 3.32Å; Q154-Q156 PolarHBondContact O-N 2.74Å; Q156-L159 PolarHBondContact O-N 2.8Å; Q156-Q160 WeakPolarHBondContact O-CB 3.47Å; Q156-Q160 PolarHBondContact O-N 3.41Å
157	E	76.4	Confident	67	Low	106 Å²	106	88.4 Å²	88.4	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-63	-42.8	177.4	-68.4	168.9	164.5	0	0	112	I153 Q154 L159 Q160 N161	I153-E157 HydrophobicContact CG2-CG 4.34Å; I153-E157 WeakPolarHBondContact CG2-OE1 3.43Å; I153-E157 PolarHBondContact O-N 3.01Å; Q154-E157 PolarHBondContact O-N 3.13Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.41Å; E157-Q160 PolarHBondContact O-N 2.93Å; E157-N161 PolarHBondContact O-N 3.25Å; E157-N161 PolarHBondContact O-ND2 3.4Å
158	A	72.8	Confident	64.5	Low	61 Å²	61	96.6 Å²	96.6	50%	0.504	55%	0.548	S	S	.	.	H	α-helix	trans	-61	-36.2	176.6	0	0	0	0	0	113.2	Q154	Q154-A158 WeakPolarHBondContact O-CB 3.29Å; Q154-A158 PolarHBondContact O-N 2.83Å
159	L	61.7	Low	61.7	Low	96 Å²	96	96.8 Å²	96.8	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-73	-39.4	174.9	-66.4	166.6	0	0	0	111.7	A155 Q156 E157 N161 G162 M183	A155-L159 VanDerWaalsContact O-CD1 3.3Å; A155-L159 WeakPolarHBondContact O-CD1 3.45Å; A155-L159 VanDerWaalsContact O-CG 3.25Å; A155-L159 WeakPolarHBondContact O-CG 3.32Å; Q156-L159 PolarHBondContact O-N 2.8Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.41Å; L159-N161 PolarHBondContact O-N 2.63Å; L159-G162 PolarHBondContact O-N 2.69Å; L159-M183 HydrophobicContact CD1-CE 3.84Å; L159-M183 HydrophobicContact CD2-CE 4.15Å
160	Q	58	Low	59.4	Low	164 Å²	164	104.1 Å²	104.1	77%	0.766	61%	0.609	S	S	*	*	H	α-helix	trans	-63.4	-32.1	179.1	-163.8	68.6	79.4	0	0	112.2	Q156 E157	Q156-Q160 WeakPolarHBondContact O-CB 3.47Å; Q156-Q160 PolarHBondContact O-N 3.41Å; E157-Q160 PolarHBondContact O-N 2.93Å
161	N	53.3	Low	57.3	Low	123 Å²	123	107.3 Å²	107.3	66%	0.658	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	3.2	180	-66.1	-20.1	0	0	0	114.4	E157 L159 Q163	E157-N161 PolarHBondContact O-N 3.25Å; E157-N161 PolarHBondContact O-ND2 3.4Å; L159-N161 PolarHBondContact O-N 2.63Å; N161-Q163 VanDerWaalsContact C-N 3.25Å; N161-Q163 PolarHBondContact O-N 3.36Å; N161-Q163 VanDerWaalsContact O-N 3.12Å
162	G	50.8	Low	54.8	Low	64 Å²	64	106.8 Å²	106.8	66%	0.66	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.3	11.8	168.8	0	0	0	0	0	116.9	L159 L164	L159-G162 PolarHBondContact O-N 2.69Å; G162-L164 VanDerWaalsContact C-N 3.28Å; G162-L164 PolarHBondContact O-N 3.3Å
163	Q	46.5	Very low	52.4	Low	169 Å²	169	113.2 Å²	113.2	79%	0.79	68%	0.676	S	S	*	*			trans	-85.8	52.2	-164.8	-156.6	171.8	10.1	0	0	114.3	N161	N161-Q163 VanDerWaalsContact C-N 3.25Å; N161-Q163 PolarHBondContact O-N 3.36Å; N161-Q163 VanDerWaalsContact O-N 3.12Å
164	L	43	Very low	50.1	Low	167 Å²	167	118.6 Å²	118.6	87%	0.874	70%	0.7	S	S	*	*			trans	-132.8	73.1	169.6	-80.2	176.3	0	0	0	111.1	G162	G162-L164 VanDerWaalsContact C-N 3.28Å; G162-L164 PolarHBondContact O-N 3.3Å
165	G	32.7	Very low	48.1	Very low	74 Å²	74	117.5 Å²	117.5	76%	0.763	70%	0.702	S	S	*	*			trans	-111.3	142.4	163.6	0	0	0	0	0	110.4
166	S	40	Very low	46.6	Very low	134 Å²	134	118.8 Å²	118.8	94%	0.937	72%	0.721	S	S	*	*			trans	-33	132.1	-171.9	-50.4	0	0	0	0	118.6
167	G	30.6	Very low	44.9	Very low	77 Å²	77	120.6 Å²	120.6	79%	0.794	74%	0.736	S	S	*	*			trans	-174.1	137.3	163.5	0	0	0	0	0	112
168	E	39.8	Very low	43.2	Very low	209 Å²	209	121.3 Å²	121.3	98%	0.977	74%	0.743	S	S	*	*			trans	-87	145.6	176.8	-65.7	-170.2	107.9	0	0	112
169	G	29.9	Very low	41.6	Very low	77 Å²	77	121.1 Å²	121.1	79%	0.794	74%	0.741	S	S	*	*			trans	166.5	88.3	177.7	0	0	0	0	0	114.7
170	I	41.1	Very low	40.7	Very low	164 Å²	164	118.9 Å²	118.9	84%	0.841	73%	0.733	S	S	*	*			trans	-78	139.2	175.7	-66.1	-64.3	0	0	0	108.6
171	P	44.2	Very low	40.1	Very low	115 Å²	115	113 Å²	113	75%	0.747	71%	0.706	S	S	*	*				-145.9	152.5	62	38.5	-18	0	0	0	120.9
172	D	32.3	Very low	39.5	Very low	133 Å²	133	109.8 Å²	109.8	71%	0.711	70%	0.697	S	S	*	*			trans	46.3	72.3	145.9	-153.7	21.4	0	0	0	120.9
173	L	34.4	Very low	39.2	Very low	172 Å²	172	110.5 Å²	110.5	90%	0.901	68%	0.684	S	S	*	*			trans	-127.3	75.3	151.7	-85.3	170.4	0	0	0	110.4
174	Q	32.3	Very low	39.2	Very low	159 Å²	159	105.8 Å²	105.8	74%	0.743	66%	0.663	S	S	*	*			trans	-72.7	148.7	174.2	-71.2	-68.7	-51.7	0	0	112.6
175	P	41.5	Very low	39.2	Very low	85 Å²	85	101.7 Å²	101.7	55%	0.552	64%	0.639	S	S	*	*			cis	-138.8	144	-49.1	32.8	-15.9	0	0	0	114.8	V177	P175-V177 VanDerWaalsContact C-N 3.33Å; P175-V177 PolarHBondContact O-N 2.92Å
176	G	43	Very low	39.8	Very low	79 Å²	79	103.8 Å²	103.8	81%	0.814	63%	0.628	S	S	*	*				62.6	-14.2	124.1	0	0	0	0	0	123.5
177	V	38.5	Very low	40.1	Very low	105 Å²	105	102 Å²	102	64%	0.636	61%	0.611	S	S	*	*	S	Bend	trans	-95.1	-30.7	-165.1	-178.6	0	0	0	0	114.6	P175 S180	P175-V177 VanDerWaalsContact C-N 3.33Å; P175-V177 PolarHBondContact O-N 2.92Å; V177-S180 WeakPolarHBondContact O-CB 3.23Å; V177-S180 PolarHBondContact O-OG 3.47Å
178	L	40.7	Very low	40.8	Very low	121 Å²	121	101 Å²	101	63%	0.634	59%	0.587	S	S	*	*	S	Bend	trans	-85.7	-23	-172.2	-66.8	-178.2	0	0	0	115.6	V75 S180 Q181	V75-L178 HydrophobicContact CG2-CD1 3.9Å; V75-L178 HydrophobicContact CG2-CD2 3.49Å; V75-L178 VanDerWaalsContact CG2-CD2 3.49Å; V75-L178 HydrophobicContact CG2-CG 4.33Å; L178-S180 PolarHBondContact O-N 2.78Å; L178-Q181 PolarHBondContact O-N 2.83Å
179	A	38.4	Very low	41.3	Very low	57 Å²	57	95.3 Å²	95.3	47%	0.471	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-28.5	173.8	0	0	0	0	0	112.2	Q181 M183	A179-Q181 PolarHBondContact O-N 2.9Å; A179-M183 HydrophobicContact CB-CE 4.25Å; A179-M183 HydrophobicContact CB-SD 4.08Å; A179-M183 WeakPolarHBondContact O-CG 3.48Å; A179-M183 PolarHBondContact O-N 2.75Å
180	S	44.1	Very low	42.3	Very low	48 Å²	48	97.3 Å²	97.3	34%	0.336	56%	0.556	S	S	.	*	H	α-helix	trans	-55.9	-32.8	179.7	71.6	0	0	0	0	113.5	V177 L178 I184	V177-S180 WeakPolarHBondContact O-CB 3.23Å; V177-S180 PolarHBondContact O-OG 3.47Å; L178-S180 PolarHBondContact O-N 2.78Å; S180-I184 WeakPolarHBondContact O-CB 3.41Å; S180-I184 WeakPolarHBondContact O-CD1 3.42Å; S180-I184 WeakPolarHBondContact O-CG1 3.29Å; S180-I184 PolarHBondContact O-N 2.82Å
181	Q	44.1	Very low	43.5	Very low	41 Å²	41	91 Å²	91	19%	0.192	52%	0.523	C	S	.	.	H	α-helix	trans	-73	-40.8	-168.5	-166.2	57.3	40.4	0	0	113.8	L178 A179 L215	L178-Q181 PolarHBondContact O-N 2.83Å; A179-Q181 PolarHBondContact O-N 2.9Å; Q181-L215 PolarHBondContact NE2-O 2.97Å
182	A	42	Very low	45	Very low	56 Å²	56	89.9 Å²	89.9	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-79.6	-41	176.6	0	0	0	0	0	111.8	I184 E185 K186	A182-I184 VanDerWaalsContact C-N 3.31Å; A182-I184 PolarHBondContact O-N 3.34Å; A182-E185 PolarHBondContact O-N 3.38Å; A182-K186 PolarHBondContact O-N 3.3Å; A182-K186 VanDerWaalsContact O-N 3.15Å
183	M	43.7	Very low	47.4	Very low	79 Å²	79	90.3 Å²	90.3	39%	0.389	51%	0.508	S	S	.	.	H	α-helix	trans	-60.6	-39.2	177	-69.1	173.4	171.1	0	0	111.8	L159 A179 E185 T187	L159-M183 HydrophobicContact CD1-CE 3.84Å; L159-M183 HydrophobicContact CD2-CE 4.15Å; A179-M183 HydrophobicContact CB-CE 4.25Å; A179-M183 HydrophobicContact CB-SD 4.08Å; A179-M183 WeakPolarHBondContact O-CG 3.48Å; A179-M183 PolarHBondContact O-N 2.75Å; M183-E185 PolarHBondContact O-N 2.72Å; M183-T187 WeakPolarHBondContact O-CB 3.47Å; M183-T187 PolarHBondContact O-N 3.24Å; M183-T187 PolarHBondContact O-OG1 3.31Å; M183-T187 VanDerWaalsContact O-OG1 3.07Å
184	I	46.4	Very low	49.7	Very low	69 Å²	69	82.9 Å²	82.9	35%	0.354	47%	0.468	S	S	.	.	H	α-helix	trans	-82.9	-9.6	-175.9	-65.7	175.5	0	0	0	113	S180 A182 L188 K211	S180-I184 WeakPolarHBondContact O-CB 3.41Å; S180-I184 WeakPolarHBondContact O-CD1 3.42Å; S180-I184 WeakPolarHBondContact O-CG1 3.29Å; S180-I184 PolarHBondContact O-N 2.82Å; A182-I184 VanDerWaalsContact C-N 3.31Å; A182-I184 PolarHBondContact O-N 3.34Å; I184-L188 HydrophobicContact CG2-CD1 3.96Å; I184-K211 HydrophobicContact CG2-CD 3.49Å; I184-K211 VanDerWaalsContact CG2-CD 3.49Å; I184-K211 HydrophobicContact CG2-CG 3.77Å; I184-K211 PolarHBondContact O-NZ 3.5Å
185	E	43.9	Very low	52	Low	81 Å²	81	82 Å²	82	38%	0.379	46%	0.461	S	S	.	.	H	α-helix	trans	-93.6	-34.7	169.2	-160.7	163.7	-128.1	0	0	112.6	A182 M183 T189 R217	A182-E185 PolarHBondContact O-N 3.38Å; M183-E185 PolarHBondContact O-N 2.72Å; E185-T189 PolarHBondContact O-OG1 3.04Å; E185-R217 IonicContact OE1-CZ 3.3Å; E185-R217 IonicContact OE1-NE 3.47Å; E185-R217 IonicContact OE1-NH1 3.06Å; E185-R217 PolarHBondContact OE1-NH1 3.26Å; E185-R217 IonicContact OE2-NH1 2.69Å; E185-R217 PolarHBondContact OE2-NH1 3.39Å
186	K	45.6	Very low	54.1	Low	119 Å²	119	81 Å²	81	52%	0.517	45%	0.452	S	S	.	.	H	α-helix	trans	-80.6	-59.5	171.4	-102.1	-175.4	174.3	179.4	0	113.4	A182 L188 T189 E190	A182-K186 PolarHBondContact O-N 3.3Å; A182-K186 VanDerWaalsContact O-N 3.15Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.29Å; K186-L188 VanDerWaalsContact O-N 3.13Å; K186-T189 WeakPolarHBondContact O-CA 3.31Å; K186-T189 WeakPolarHBondContact O-CB 3.41Å; K186-T189 PolarHBondContact O-N 2.99Å; K186-E190 PolarHBondContact O-N 3.18Å
187	T	45.3	Very low	56.1	Low	96 Å²	96	79.7 Å²	79.7	59%	0.589	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20	-165.4	-48.8	0	0	0	0	114.4	M183	M183-T187 WeakPolarHBondContact O-CB 3.47Å; M183-T187 PolarHBondContact O-N 3.24Å; M183-T187 PolarHBondContact O-OG1 3.31Å; M183-T187 VanDerWaalsContact O-OG1 3.07Å
188	L	46.3	Very low	58.4	Low	57 Å²	57	78.7 Å²	78.7	30%	0.298	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.3	170.9	-69.3	178.3	0	0	0	114.3	I184 K186	I184-L188 HydrophobicContact CG2-CD1 3.96Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.29Å; K186-L188 VanDerWaalsContact O-N 3.13Å
189	T	48.8	Very low	60.8	Low	89 Å²	89	74.9 Å²	74.9	55%	0.546	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-24.6	172.5	-48.8	0	0	0	0	111	E185 K186	E185-T189 PolarHBondContact O-OG1 3.04Å; K186-T189 WeakPolarHBondContact O-CA 3.31Å; K186-T189 WeakPolarHBondContact O-CB 3.41Å; K186-T189 PolarHBondContact O-N 2.99Å
190	E	52.6	Low	63.2	Low	119 Å²	119	72.2 Å²	72.2	56%	0.556	38%	0.375	S	S	*	.	S	Bend	trans	-96.8	-2.5	-177.9	-65.5	-66.9	177.4	0	0	115.2	K186 P192	K186-E190 PolarHBondContact O-N 3.18Å; E190-P192 WeakPolarHBondContact O-CD 3.41Å; E190-P192 VanDerWaalsContact O-N 3.1Å
191	D	65.8	Low	65.3	Low	31 Å²	31	71.6 Å²	71.6	17%	0.166	37%	0.368	C	S	.	.			trans	-61.9	112.6	167.9	179.6	-14.4	0	0	0	108.6	R193 W194	D191-R193 PolarHBondContact O-N 3.19Å; D191-R193 VanDerWaalsContact OD1-CB 3.24Å; D191-R193 WeakPolarHBondContact OD1-CB 3.36Å; D191-R193 VanDerWaalsContact OD1-CG 3.26Å; D191-R193 WeakPolarHBondContact OD1-CG 3.43Å; D191-R193 IonicContact OD1-CZ 3.92Å; D191-R193 PolarHBondContact OD1-N 2.82Å; D191-R193 IonicContact OD1-NE 3Å; D191-R193 PolarHBondContact OD1-NE 3.47Å; D191-R193 IonicContact OD1-NH2 3.98Å; D191-R193 IonicContact OD2-CZ 3.28Å; D191-R193 VanDerWaalsContact OD2-CZ 3.28Å; D191-R193 IonicContact OD2-NE 3.04Å; D191-R193 PolarHBondContact OD2-NE 2.9Å; D191-R193 IonicContact OD2-NH2 2.68Å; D191-R193 PolarHBondContact OD2-NH2 3.22Å; D191-W194 PolarHBondContact O-N 3.45Å
192	P	75.9	Confident	67.4	Low	91 Å²	91	69.8 Å²	69.8	59%	0.591	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-61.3	-21.3	-172.6	-23.6	35.5	0	0	0	112.8	E190 W194 K195	E190-P192 WeakPolarHBondContact O-CD 3.41Å; E190-P192 VanDerWaalsContact O-N 3.1Å; P192-W194 PolarHBondContact O-N 2.92Å; P192-K195 VanDerWaalsContact O-CB 3.29Å; P192-K195 WeakPolarHBondContact O-CB 3.5Å; P192-K195 PolarHBondContact O-N 2.99Å
193	R	82.3	Confident	69.7	Low	142 Å²	142	69.3 Å²	69.3	54%	0.536	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-63.8	-27.5	178.4	-58.7	177.4	-64.4	178.9	3.9	112.4	D191 K195 D196 F199	D191-R193 PolarHBondContact O-N 3.19Å; D191-R193 VanDerWaalsContact OD1-CB 3.24Å; D191-R193 WeakPolarHBondContact OD1-CB 3.36Å; D191-R193 VanDerWaalsContact OD1-CG 3.26Å; D191-R193 WeakPolarHBondContact OD1-CG 3.43Å; D191-R193 IonicContact OD1-CZ 3.92Å; D191-R193 PolarHBondContact OD1-N 2.82Å; D191-R193 IonicContact OD1-NE 3Å; D191-R193 PolarHBondContact OD1-NE 3.47Å; D191-R193 IonicContact OD1-NH2 3.98Å; D191-R193 IonicContact OD2-CZ 3.28Å; D191-R193 VanDerWaalsContact OD2-CZ 3.28Å; D191-R193 IonicContact OD2-NE 3.04Å; D191-R193 PolarHBondContact OD2-NE 2.9Å; D191-R193 IonicContact OD2-NH2 2.68Å; D191-R193 PolarHBondContact OD2-NH2 3.22Å; R193-K195 PolarHBondContact O-N 2.9Å; R193-K195 VanDerWaalsContact O-N 3.17Å; R193-D196 PolarHBondContact O-N 3.2Å; R193-F199 HydrophobicContact CB-CB 4.39Å; R193-F199 HydrophobicContact CB-CD1 3.77Å; R193-F199 HydrophobicContact CB-CD2 3.83Å; R193-F199 HydrophobicContact CB-CE1 3.89Å; R193-F199 HydrophobicContact CB-CE2 3.95Å; R193-F199 HydrophobicContact CB-CG 3.74Å; R193-F199 HydrophobicContact CB-CZ 3.98Å; R193-F199 HydrophobicContact CG-CE2 4.49Å; R193-F199 VanDerWaalsContact O-CB 3.3Å; R193-F199 WeakPolarHBondContact O-CB 3.36Å; R193-F199 WeakPolarHBondContact O-CD1 3.46Å
194	W	83.1	Confident	71.9	Confident	16 Å²	16	65.9 Å²	65.9	6%	0.061	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-68.8	-9	173.4	-69.5	122	0	0	0	113.8	D191 P192 F199 V200 N203 P223 P300 F301	D191-W194 PolarHBondContact O-N 3.45Å; P192-W194 PolarHBondContact O-N 2.92Å; W194-F199 AromaticContact CD2-CD1 3.96Å; W194-F199 HydrophobicContact CD2-CD1 3.96Å; W194-F199 AromaticContact CD2-CE1 3.74Å; W194-F199 HydrophobicContact CD2-CE1 3.74Å; W194-F199 AromaticContact CE2-CE1 3.75Å; W194-F199 AromaticContact CE3-CD1 3.66Å; W194-F199 HydrophobicContact CE3-CD1 3.66Å; W194-F199 AromaticContact CE3-CE1 3.8Å; W194-F199 HydrophobicContact CE3-CE1 3.8Å; W194-F199 HydrophobicContact CG-CE1 4.41Å; W194-F199 HydrophobicContact CH2-CD1 4.38Å; W194-F199 AromaticContact CH2-CE1 3.92Å; W194-F199 HydrophobicContact CH2-CE1 3.92Å; W194-F199 AromaticContact CZ2-CE1 3.84Å; W194-F199 HydrophobicContact CZ2-CE1 3.84Å; W194-F199 AromaticContact CZ3-CD1 3.91Å; W194-F199 HydrophobicContact CZ3-CD1 3.91Å; W194-F199 AromaticContact CZ3-CE1 3.9Å; W194-F199 HydrophobicContact CZ3-CE1 3.9Å; W194-V200 HydrophobicContact CE3-CG2 4.08Å; W194-V200 VanDerWaalsContact O-CG2 3.29Å; W194-V200 WeakPolarHBondContact O-CG2 3.43Å; W194-N203 HydrophobicContact CH2-CB 3.68Å; W194-N203 HydrophobicContact CZ3-CB 4.03Å; W194-P223 HydrophobicContact CD2-CB 4.33Å; W194-P223 HydrophobicContact CD2-CG 4.41Å; W194-P223 HydrophobicContact CE3-CB 4.46Å; W194-P223 HydrophobicContact CH2-CB 3.53Å; W194-P223 HydrophobicContact CZ2-CB 3.34Å; W194-P223 HydrophobicContact CZ2-CG 3.95Å; W194-P223 HydrophobicContact CZ3-CB 4.1Å; W194-P300 WeakPolarHBondContact O-CB 3.34Å; W194-F301 HydrophobicContact CB-CE1 4.31Å; W194-F301 HydrophobicContact CB-CZ 4.29Å; W194-F301 HydrophobicContact CD2-CE1 4.07Å; W194-F301 HydrophobicContact CD2-CZ 4.36Å; W194-F301 AromaticContact CE3-CE1 3.84Å; W194-F301 HydrophobicContact CE3-CE1 3.84Å; W194-F301 HydrophobicContact CG-CE1 4.29Å; W194-F301 HydrophobicContact CG-CZ 4.25Å
195	K	79.6	Confident	73.9	Confident	140 Å²	140	62.7 Å²	62.7	61%	0.609	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-81.7	-24.2	169.9	-56	175.1	-176.3	172.3	0	112	P192 R193	P192-K195 VanDerWaalsContact O-CB 3.29Å; P192-K195 WeakPolarHBondContact O-CB 3.5Å; P192-K195 PolarHBondContact O-N 2.99Å; R193-K195 PolarHBondContact O-N 2.9Å; R193-K195 VanDerWaalsContact O-N 3.17Å
196	D	84.9	Confident	76.1	Confident	66 Å²	66	59.8 Å²	59.8	35%	0.353	30%	0.304	S	S	.	.	S	Bend	trans	-75.9	128.6	175	164.2	43.5	0	0	0	111.9	R193 N198 F199 V200	R193-D196 PolarHBondContact O-N 3.2Å; D196-N198 VanDerWaalsContact C-N 3.28Å; D196-N198 VanDerWaalsContact CG-N 3.35Å; D196-N198 PolarHBondContact O-N 3Å; D196-N198 WeakPolarHBondContact OD1-CB 3.37Å; D196-N198 PolarHBondContact OD1-N 2.96Å; D196-N198 PolarHBondContact OD1-ND2 3.14Å; D196-N198 WeakPolarHBondContact OD2-CB 3.49Å; D196-N198 PolarHBondContact OD2-N 2.85Å; D196-F199 HydrophobicContact CB-CB 4.22Å; D196-F199 PolarHBondContact O-N 3.21Å; D196-F199 WeakPolarHBondContact OD2-CB 3.34Å; D196-F199 PolarHBondContact OD2-N 3.46Å; D196-V200 WeakPolarHBondContact O-CG2 3.21Å; D196-V200 PolarHBondContact O-N 3Å
197	T	86.3	Confident	78.2	Confident	50 Å²	50	58.3 Å²	58.3	31%	0.307	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-31.9	177.4	45.6	0	0	0	0	113	L201 Y282 K283	T197-L201 VanDerWaalsContact O-CB 3.3Å; T197-L201 WeakPolarHBondContact O-CB 3.48Å; T197-L201 WeakPolarHBondContact O-CG 3.47Å; T197-L201 PolarHBondContact O-N 3.37Å; T197-Y282 HydrophobicContact CG2-CE1 4Å; T197-K283 HydrophobicContact CG2-CD 3.92Å; T197-K283 VanDerWaalsContact CG2-NZ 3.31Å
198	N	87.6	Confident	80.2	Confident	85 Å²	85	59.7 Å²	59.7	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-73.2	-39.7	-179.6	-59.3	-86.9	0	0	0	111.6	D196 L201 A202	D196-N198 VanDerWaalsContact C-N 3.28Å; D196-N198 VanDerWaalsContact CG-N 3.35Å; D196-N198 PolarHBondContact O-N 3Å; D196-N198 WeakPolarHBondContact OD1-CB 3.37Å; D196-N198 PolarHBondContact OD1-N 2.96Å; D196-N198 PolarHBondContact OD1-ND2 3.14Å; D196-N198 WeakPolarHBondContact OD2-CB 3.49Å; D196-N198 PolarHBondContact OD2-N 2.85Å; N198-L201 PolarHBondContact O-N 3.27Å; N198-A202 VanDerWaalsContact O-CB 3.32Å; N198-A202 WeakPolarHBondContact O-CB 3.48Å; N198-A202 PolarHBondContact O-N 3.49Å
199	F	89.2	Confident	82.1	Confident	41 Å²	41	57.7 Å²	57.7	18%	0.18	29%	0.292	C	S	.	.	H	α-helix	trans	-69.1	-41.7	174.4	-168.9	-91	0	0	0	112.1	R193 W194 D196 A202 N203	R193-F199 HydrophobicContact CB-CB 4.39Å; R193-F199 HydrophobicContact CB-CD1 3.77Å; R193-F199 HydrophobicContact CB-CD2 3.83Å; R193-F199 HydrophobicContact CB-CE1 3.89Å; R193-F199 HydrophobicContact CB-CE2 3.95Å; R193-F199 HydrophobicContact CB-CG 3.74Å; R193-F199 HydrophobicContact CB-CZ 3.98Å; R193-F199 HydrophobicContact CG-CE2 4.49Å; R193-F199 VanDerWaalsContact O-CB 3.3Å; R193-F199 WeakPolarHBondContact O-CB 3.36Å; R193-F199 WeakPolarHBondContact O-CD1 3.46Å; W194-F199 AromaticContact CD2-CD1 3.96Å; W194-F199 HydrophobicContact CD2-CD1 3.96Å; W194-F199 AromaticContact CD2-CE1 3.74Å; W194-F199 HydrophobicContact CD2-CE1 3.74Å; W194-F199 AromaticContact CE2-CE1 3.75Å; W194-F199 AromaticContact CE3-CD1 3.66Å; W194-F199 HydrophobicContact CE3-CD1 3.66Å; W194-F199 AromaticContact CE3-CE1 3.8Å; W194-F199 HydrophobicContact CE3-CE1 3.8Å; W194-F199 HydrophobicContact CG-CE1 4.41Å; W194-F199 HydrophobicContact CH2-CD1 4.38Å; W194-F199 AromaticContact CH2-CE1 3.92Å; W194-F199 HydrophobicContact CH2-CE1 3.92Å; W194-F199 AromaticContact CZ2-CE1 3.84Å; W194-F199 HydrophobicContact CZ2-CE1 3.84Å; W194-F199 AromaticContact CZ3-CD1 3.91Å; W194-F199 HydrophobicContact CZ3-CD1 3.91Å; W194-F199 AromaticContact CZ3-CE1 3.9Å; W194-F199 HydrophobicContact CZ3-CE1 3.9Å; D196-F199 HydrophobicContact CB-CB 4.22Å; D196-F199 PolarHBondContact O-N 3.21Å; D196-F199 WeakPolarHBondContact OD2-CB 3.34Å; D196-F199 PolarHBondContact OD2-N 3.46Å; F199-A202 PolarHBondContact O-N 3.27Å; F199-N203 WeakPolarHBondContact CD2-ND2 3.18Å; F199-N203 HydrophobicContact CE1-CB 4.46Å; F199-N203 WeakPolarHBondContact CE2-ND2 3.42Å; F199-N203 VanDerWaalsContact CZ-ND2 3.33Å; F199-N203 WeakPolarHBondContact CZ-ND2 3.49Å; F199-N203 PolarHBondContact O-N 2.79Å; F199-N203 PolarHBondContact O-ND2 2.97Å
200	V	89.4	Confident	83.5	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-58.3	-48.9	169.9	173	0	0	0	0	110.3	W194 D196 A202 N203 Y204 F277 Y282	W194-V200 HydrophobicContact CE3-CG2 4.08Å; W194-V200 VanDerWaalsContact O-CG2 3.29Å; W194-V200 WeakPolarHBondContact O-CG2 3.43Å; D196-V200 WeakPolarHBondContact O-CG2 3.21Å; D196-V200 PolarHBondContact O-N 3Å; V200-A202 VanDerWaalsContact C-N 3.29Å; V200-A202 PolarHBondContact O-N 2.86Å; V200-N203 PolarHBondContact O-N 3.5Å; V200-Y204 HydrophobicContact CG1-CG 4.41Å; V200-Y204 WeakPolarHBondContact O-CB 3.47Å; V200-Y204 PolarHBondContact O-N 2.96Å; V200-F277 HydrophobicContact CG1-CD1 4.1Å; V200-F277 HydrophobicContact CG1-CE1 3.91Å; V200-Y282 HydrophobicContact CG1-CE2 4.24Å; V200-Y282 WeakPolarHBondContact CG1-OH 3.42Å
201	L	89.4	Confident	84.5	Confident	34 Å²	34	56 Å²	56	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-35.1	175.1	-83.2	173.5	0	0	0	113.1	T197 N198 R232 F277 Y282	T197-L201 VanDerWaalsContact O-CB 3.3Å; T197-L201 WeakPolarHBondContact O-CB 3.48Å; T197-L201 WeakPolarHBondContact O-CG 3.47Å; T197-L201 PolarHBondContact O-N 3.37Å; N198-L201 PolarHBondContact O-N 3.27Å; L201-R232 VanDerWaalsContact O-CZ 3.3Å; L201-R232 PolarHBondContact O-NH1 3.47Å; L201-R232 PolarHBondContact O-NH2 3.27Å; L201-F277 WeakPolarHBondContact CD2-O 3.41Å; L201-Y282 HydrophobicContact CD1-CD1 3.82Å; L201-Y282 HydrophobicContact CD1-CE1 4.37Å; L201-Y282 HydrophobicContact CD2-CD1 3.74Å; L201-Y282 HydrophobicContact CD2-CE1 4.46Å; L201-Y282 HydrophobicContact CD2-CG 3.76Å; L201-Y282 HydrophobicContact CG-CD1 3.61Å; L201-Y282 HydrophobicContact CG-CE1 3.99Å; L201-Y282 HydrophobicContact CG-CG 4.17Å
202	A	87.9	Confident	84.4	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-73.8	-42.4	179.4	0	0	0	0	0	113	N198 F199 V200 T206 N234	N198-A202 VanDerWaalsContact O-CB 3.32Å; N198-A202 WeakPolarHBondContact O-CB 3.48Å; N198-A202 PolarHBondContact O-N 3.49Å; F199-A202 PolarHBondContact O-N 3.27Å; V200-A202 VanDerWaalsContact C-N 3.29Å; V200-A202 PolarHBondContact O-N 2.86Å; A202-T206 WeakPolarHBondContact O-CG2 3.39Å; A202-N234 VanDerWaalsContact O-CG 3.28Å; A202-N234 PolarHBondContact O-ND2 2.75Å
203	N	88.8	Confident	83.5	Confident	46 Å²	46	58.8 Å²	58.8	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-123.2	-11.5	-160.6	-53.9	-45.7	0	0	0	114.8	W194 F199 V200 K205 T206	W194-N203 HydrophobicContact CH2-CB 3.68Å; W194-N203 HydrophobicContact CZ3-CB 4.03Å; F199-N203 WeakPolarHBondContact CD2-ND2 3.18Å; F199-N203 HydrophobicContact CE1-CB 4.46Å; F199-N203 WeakPolarHBondContact CE2-ND2 3.42Å; F199-N203 VanDerWaalsContact CZ-ND2 3.33Å; F199-N203 WeakPolarHBondContact CZ-ND2 3.49Å; F199-N203 PolarHBondContact O-N 2.79Å; F199-N203 PolarHBondContact O-ND2 2.97Å; V200-N203 PolarHBondContact O-N 3.5Å; N203-K205 PolarHBondContact O-N 3.43Å; N203-K205 VanDerWaalsContact O-N 3.14Å; N203-T206 WeakPolarHBondContact CA-OG1 3.42Å; N203-T206 PolarHBondContact O-N 2.82Å; N203-T206 PolarHBondContact O-OG1 3.04Å
204	Y	90.3	Very high	82.3	Confident	6 Å²	6	60.1 Å²	60.1	2%	0.024	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	118.5	-179.2	-177.9	-104.7	0	0	0	111	V200 T206 Y220 R232 T273 F277 F301	V200-Y204 HydrophobicContact CG1-CG 4.41Å; V200-Y204 WeakPolarHBondContact O-CB 3.47Å; V200-Y204 PolarHBondContact O-N 2.96Å; Y204-T206 PolarHBondContact O-N 3.4Å; Y204-Y220 PolarHBondContact OH-O 2.8Å; Y204-R232 WeakPolarHBondContact O-CD 3.46Å; Y204-R232 PolarHBondContact O-NH1 2.77Å; Y204-T273 HydrophobicContact CE1-CG2 3.99Å; Y204-F277 AromaticContact CD1-CD1 3.63Å; Y204-F277 HydrophobicContact CD1-CD1 3.63Å; Y204-F277 HydrophobicContact CD1-CD2 4.03Å; Y204-F277 AromaticContact CD1-CE1 3.47Å; Y204-F277 HydrophobicContact CD1-CE1 3.47Å; Y204-F277 VanDerWaalsContact CD1-CE1 3.47Å; Y204-F277 AromaticContact CD1-CE2 3.92Å; Y204-F277 HydrophobicContact CD1-CE2 3.92Å; Y204-F277 AromaticContact CD1-CG 3.91Å; Y204-F277 HydrophobicContact CD1-CG 3.91Å; Y204-F277 AromaticContact CD1-CZ 3.63Å; Y204-F277 HydrophobicContact CD1-CZ 3.63Å; Y204-F277 HydrophobicContact CE1-CD1 4.12Å; Y204-F277 AromaticContact CE1-CD2 3.9Å; Y204-F277 HydrophobicContact CE1-CD2 3.9Å; Y204-F277 AromaticContact CE1-CE1 3.62Å; Y204-F277 HydrophobicContact CE1-CE1 3.62Å; Y204-F277 AromaticContact CE1-CE2 3.4Å; Y204-F277 HydrophobicContact CE1-CE2 3.4Å; Y204-F277 HydrophobicContact CE1-CG 4.25Å; Y204-F277 AromaticContact CE1-CZ 3.23Å; Y204-F277 HydrophobicContact CE1-CZ 3.23Å; Y204-F277 HydrophobicContact CG-CD1 4.38Å; Y204-F277 HydrophobicContact CG-CE1 4.14Å; Y204-F277 AromaticContact CZ-CZ 3.92Å; Y204-F301 AromaticContact CD2-CD1 3.47Å; Y204-F301 HydrophobicContact CD2-CD1 3.47Å; Y204-F301 VanDerWaalsContact CD2-CD1 3.47Å; Y204-F301 AromaticContact CD2-CE1 3.99Å; Y204-F301 HydrophobicContact CD2-CE1 3.99Å; Y204-F301 HydrophobicContact CD2-CG 4.16Å; Y204-F301 HydrophobicContact CE2-CB 3.8Å; Y204-F301 AromaticContact CE2-CD1 3.49Å; Y204-F301 HydrophobicContact CE2-CD1 3.49Å; Y204-F301 VanDerWaalsContact CE2-CD1 3.49Å; Y204-F301 HydrophobicContact CE2-CE1 4.26Å; Y204-F301 AromaticContact CE2-CG 3.68Å; Y204-F301 HydrophobicContact CE2-CG 3.68Å; Y204-F301 HydrophobicContact CG-CD1 4.48Å
205	K	89.1	Confident	81.1	Confident	2 Å²	2	62 Å²	62	1%	0.009	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	27.1	179.7	-68.9	175.1	174.8	-73.1	0	115	N203 G219 C222 P223 H224 Y225 D230 R232 T273	N203-K205 PolarHBondContact O-N 3.43Å; N203-K205 VanDerWaalsContact O-N 3.14Å; K205-G219 PolarHBondContact NZ-O 2.7Å; K205-C222 WeakPolarHBondContact CE-O 3.49Å; K205-C222 PolarHBondContact NZ-O 3.25Å; K205-P223 WeakPolarHBondContact CA-O 3.45Å; K205-P223 PolarHBondContact N-O 3.12Å; K205-H224 PolarHBondContact NZ-O 2.91Å; K205-Y225 WeakPolarHBondContact O-CD1 3.22Å; K205-D230 VanDerWaalsContact CD-OD1 3.32Å; K205-D230 WeakPolarHBondContact CD-OD1 3.31Å; K205-D230 VanDerWaalsContact CE-OD1 3.27Å; K205-D230 WeakPolarHBondContact CE-OD1 3.26Å; K205-D230 IonicContact NZ-OD1 3.74Å; K205-D230 PolarHBondContact NZ-OD1 2.7Å; K205-D230 IonicContact NZ-OD2 2.62Å; K205-D230 PolarHBondContact NZ-OD2 2.9Å; K205-R232 HydrophobicContact CB-CB 4.27Å; K205-R232 PolarHBondContact O-N 3.17Å; K205-T273 HydrophobicContact CB-CG2 4.5Å; K205-T273 HydrophobicContact CD-CG2 3.69Å
206	T	90.3	Very high	80.4	Confident	20 Å²	20	56.1 Å²	56.1	12%	0.123	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-30.7	173.4	52.4	0	0	0	0	113.9	A202 N203 Y204 Y225 R232 N234	A202-T206 WeakPolarHBondContact O-CG2 3.39Å; N203-T206 WeakPolarHBondContact CA-OG1 3.42Å; N203-T206 PolarHBondContact O-N 2.82Å; N203-T206 PolarHBondContact O-OG1 3.04Å; Y204-T206 PolarHBondContact O-N 3.4Å; T206-Y225 WeakPolarHBondContact O-CE1 3.32Å; T206-R232 VanDerWaalsContact CA-O 3.3Å; T206-R232 WeakPolarHBondContact CA-O 3.27Å; T206-N234 HydrophobicContact CG2-CB 3.76Å
207	D	89.7	Confident	79.2	Confident	88 Å²	88	59.7 Å²	59.7	47%	0.471	31%	0.308	S	S	.	.	S	Bend	trans	-119.5	149.2	-173.4	-54.1	-77.3	0	0	0	110.9	H224 Y225	D207-H224 WeakPolarHBondContact O-CA 2.92Å; D207-H224 WeakPolarHBondContact O-CB 3.49Å; D207-Y225 WeakPolarHBondContact O-CD1 3.45Å; D207-Y225 PolarHBondContact O-N 3.19Å
208	Q	86.9	Confident	77.8	Confident	125 Å²	125	61.7 Å²	61.7	58%	0.584	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-72.2	141.7	-175.5	-168.8	172.9	1	0	0	110.6	T210 Y225	Q208-T210 PolarHBondContact O-N 3.4Å; Q208-Y225 HydrophobicContact CB-CD2 4.49Å; Q208-Y225 HydrophobicContact CB-CE1 4.08Å; Q208-Y225 HydrophobicContact CB-CE2 3.92Å; Q208-Y225 HydrophobicContact CG-CD2 4.41Å; Q208-Y225 HydrophobicContact CG-CE2 3.98Å; Q208-Y225 VanDerWaalsContact N-CE1 3.26Å
209	C	85.6	Confident	76.7	Confident	16 Å²	16	59.3 Å²	59.3	11%	0.108	31%	0.309	C	S	.	.			trans	-69.8	117.3	179.2	-165	0	0	0	0	110.7	K211 C222 H224 Y225 H226	C209-K211 VanDerWaalsContact C-N 3.28Å; C209-C222 VanDerWaalsContact SG-SG 3.65Å; C209-H224 HydrophobicContact CB-CB 3.67Å; C209-Y225 WeakPolarHBondContact CB-O 3.19Å; C209-Y225 PolarHBondContact N-O 3.04Å; C209-H226 WeakPolarHBondContact CB-CD2 3.23Å; C209-H226 WeakPolarHBondContact CB-NE2 3.39Å; C209-H226 PolarHBondContact SG-NE2 2.9Å
210	T	79.9	Confident	75.5	Confident	137 Å²	137	61.5 Å²	61.5	84%	0.84	32%	0.316	S	S	*	.			trans	-77.3	-13.4	175	52.9	0	0	0	0	113.2	Q208	Q208-T210 PolarHBondContact O-N 3.4Å
211	K	72.1	Confident	74.7	Confident	34 Å²	34	64.2 Å²	64.2	15%	0.148	34%	0.339	C	S	.	.	S	Bend	trans	-68.7	135.7	175.7	-50.9	-173.5	-164.2	-162.5	0	109.7	I184 C209 C216	I184-K211 HydrophobicContact CG2-CD 3.49Å; I184-K211 VanDerWaalsContact CG2-CD 3.49Å; I184-K211 HydrophobicContact CG2-CG 3.77Å; I184-K211 PolarHBondContact O-NZ 3.5Å; C209-K211 VanDerWaalsContact C-N 3.28Å; K211-C216 HydrophobicContact CB-CB 3.9Å; K211-C216 HydrophobicContact CD-CB 4.11Å
212	P	64.2	Low	74.4	Confident	71 Å²	71	62.8 Å²	62.8	46%	0.461	33%	0.332	S	S	.	.			trans	-55.8	140.6	177.9	-27.3	35.5	0	0	0	112.5	R214 L215 C216	P212-R214 PolarHBondContact O-N 2.83Å; P212-L215 HydrophobicContact CB-CB 4.39Å; P212-L215 HydrophobicContact CB-CD1 4.22Å; P212-L215 HydrophobicContact CG-CD1 4.2Å; P212-L215 PolarHBondContact O-N 2.92Å; P212-C216 PolarHBondContact O-N 3.08Å
213	P	57.2	Low	74.3	Confident	110 Å²	110	62.8 Å²	62.8	71%	0.714	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.5	-176.9	-27.8	35.5	0	0	0	116
214	R	57.8	Low	74.2	Confident	170 Å²	170	62.5 Å²	62.5	64%	0.642	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12	174.5	-64.4	-88.2	-167.2	155.9	4	113.5	P212	P212-R214 PolarHBondContact O-N 2.83Å
215	L	56.5	Low	74.1	Confident	57 Å²	57	64 Å²	64	30%	0.298	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-8.8	-163.5	-68.8	172	0	0	0	114.2	Q181 P212	Q181-L215 PolarHBondContact NE2-O 2.97Å; P212-L215 HydrophobicContact CB-CB 4.39Å; P212-L215 HydrophobicContact CB-CD1 4.22Å; P212-L215 HydrophobicContact CG-CD1 4.2Å; P212-L215 PolarHBondContact O-N 2.92Å
216	C	66.1	Low	73.8	Confident	16 Å²	16	65.7 Å²	65.7	11%	0.108	34%	0.342	C	S	.	.	S	Bend	trans	-90.5	139.1	160.2	-169.8	0	0	0	0	110	K211 P212 Q218 H226	K211-C216 HydrophobicContact CB-CB 3.9Å; K211-C216 HydrophobicContact CD-CB 4.11Å; P212-C216 PolarHBondContact O-N 3.08Å; C216-Q218 VanDerWaalsContact C-N 3.29Å; C216-Q218 VanDerWaalsContact CB-OE1 3.28Å; C216-Q218 PolarHBondContact O-N 2.88Å; C216-Q218 PolarHBondContact O-OE1 3Å; C216-H226 PolarHBondContact SG-NE2 2.94Å
217	R	58.3	Low	73.5	Confident	141 Å²	141	68.7 Å²	68.7	53%	0.532	36%	0.358	S	S	.	.			trans	-78.3	81.1	171.2	-75.8	178.4	161	128.8	-7.8	109.4	E185 G219	E185-R217 IonicContact OE1-CZ 3.3Å; E185-R217 IonicContact OE1-NE 3.47Å; E185-R217 IonicContact OE1-NH1 3.06Å; E185-R217 PolarHBondContact OE1-NH1 3.26Å; E185-R217 IonicContact OE2-NH1 2.69Å; E185-R217 PolarHBondContact OE2-NH1 3.39Å; R217-G219 PolarHBondContact O-N 2.72Å; R217-G219 VanDerWaalsContact O-N 3.16Å
218	Q	57.7	Low	73.3	Confident	92 Å²	92	67 Å²	67	43%	0.43	35%	0.353	S	S	.	.			trans	-47.3	115.6	-176.3	-116.2	69.1	-34.1	0	0	112.6	C216 H226	C216-Q218 VanDerWaalsContact C-N 3.29Å; C216-Q218 VanDerWaalsContact CB-OE1 3.28Å; C216-Q218 PolarHBondContact O-N 2.88Å; C216-Q218 PolarHBondContact O-OE1 3Å; Q218-H226 VanDerWaalsContact CD-CG 3.46Å; Q218-H226 HydrophobicContact CG-CB 4.11Å; Q218-H226 PolarHBondContact NE2-CD2 2.97Å; Q218-H226 PolarHBondContact OE1-CD2 3.48Å; Q218-H226 VanDerWaalsContact OE1-CD2 3.29Å; Q218-H226 PolarHBondContact OE1-NE2 3.07Å
219	G	64.1	Low	73.2	Confident	34 Å²	34	66.6 Å²	66.6	35%	0.351	35%	0.346	S	S	.	.	S	Bend	trans	160.9	-152.8	-178.5	0	0	0	0	0	113.1	K205 R217 A221	K205-G219 PolarHBondContact NZ-O 2.7Å; R217-G219 PolarHBondContact O-N 2.72Å; R217-G219 VanDerWaalsContact O-N 3.16Å; G219-A221 VanDerWaalsContact C-N 3.32Å
220	Y	65.1	Low	73.2	Confident	87 Å²	87	67.1 Å²	67.1	34%	0.341	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.8	-179	55.9	-99	0	0	0	114.3	Y204 P297 R298 F301	Y204-Y220 PolarHBondContact OH-O 2.8Å; Y220-P297 VanDerWaalsContact CE2-O 3.3Å; Y220-P297 WeakPolarHBondContact CE2-O 3.5Å; Y220-R298 HydrophobicContact CD2-CB 4.39Å; Y220-R298 HydrophobicContact CD2-CG 4.3Å; Y220-R298 HydrophobicContact CE2-CG 4.48Å; Y220-F301 WeakPolarHBondContact O-CB 3.43Å
221	A	72.1	Confident	73.7	Confident	59 Å²	59	64 Å²	64	49%	0.488	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.8	-178.1	0	0	0	0	0	113.8	G219	G219-A221 VanDerWaalsContact C-N 3.32Å
222	C	83.6	Confident	74.6	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.02	31%	0.314	C	S	.	.			trans	-98.2	128.7	177.1	-176.4	0	0	0	0	110.5	K205 C209 H224 H226	K205-C222 WeakPolarHBondContact CE-O 3.49Å; K205-C222 PolarHBondContact NZ-O 3.25Å; C209-C222 VanDerWaalsContact SG-SG 3.65Å; C222-H224 PolarHBondContact O-N 3.34Å; C222-H224 PolarHBondContact SG-N 3.32Å; C222-H224 VanDerWaalsContact SG-N 3.45Å; C222-H226 VanDerWaalsContact SG-CE1 3.54Å
223	P	85.8	Confident	75.9	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.026	29%	0.293	C	S	.	.	S	Bend	trans	-67.7	-11.2	176.3	-15.8	27.6	0	0	0	114.8	W194 K205 F301	W194-P223 HydrophobicContact CD2-CB 4.33Å; W194-P223 HydrophobicContact CD2-CG 4.41Å; W194-P223 HydrophobicContact CE3-CB 4.46Å; W194-P223 HydrophobicContact CH2-CB 3.53Å; W194-P223 HydrophobicContact CZ2-CB 3.34Å; W194-P223 HydrophobicContact CZ2-CG 3.95Å; W194-P223 HydrophobicContact CZ3-CB 4.1Å; K205-P223 WeakPolarHBondContact CA-O 3.45Å; K205-P223 PolarHBondContact N-O 3.12Å; P223-F301 HydrophobicContact CB-CE1 4.43Å; P223-F301 HydrophobicContact CB-CZ 4.42Å; P223-F301 HydrophobicContact CG-CE1 4.26Å; P223-F301 HydrophobicContact CG-CE2 4.44Å; P223-F301 HydrophobicContact CG-CZ 3.78Å
224	H	86.6	Confident	77.4	Confident	41 Å²	41	54.9 Å²	54.9	19%	0.19	26%	0.263	C	S	.	.	S	Bend	trans	-111.4	160.3	-175.3	-60.1	-76.1	0	0	0	111.9	K205 D207 C209 C222 H226	K205-H224 PolarHBondContact NZ-O 2.91Å; D207-H224 WeakPolarHBondContact O-CA 2.92Å; D207-H224 WeakPolarHBondContact O-CB 3.49Å; C209-H224 HydrophobicContact CB-CB 3.67Å; C222-H224 PolarHBondContact O-N 3.34Å; C222-H224 PolarHBondContact SG-N 3.32Å; C222-H224 VanDerWaalsContact SG-N 3.45Å; H224-H226 PolarHBondContact O-CE1 2.83Å
225	Y	87.4	Confident	78.7	Confident	38 Å²	38	47.6 Å²	47.6	15%	0.149	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-91.8	148.8	179.3	75.6	-98.6	0	0	0	112.7	K205 T206 D207 Q208 C209 D230 R231	K205-Y225 WeakPolarHBondContact O-CD1 3.22Å; T206-Y225 WeakPolarHBondContact O-CE1 3.32Å; D207-Y225 WeakPolarHBondContact O-CD1 3.45Å; D207-Y225 PolarHBondContact O-N 3.19Å; Q208-Y225 HydrophobicContact CB-CD2 4.49Å; Q208-Y225 HydrophobicContact CB-CE1 4.08Å; Q208-Y225 HydrophobicContact CB-CE2 3.92Å; Q208-Y225 HydrophobicContact CG-CD2 4.41Å; Q208-Y225 HydrophobicContact CG-CE2 3.98Å; Q208-Y225 VanDerWaalsContact N-CE1 3.26Å; C209-Y225 WeakPolarHBondContact CB-O 3.19Å; C209-Y225 PolarHBondContact N-O 3.04Å; Y225-D230 VanDerWaalsContact CA-OD2 3.31Å; Y225-D230 WeakPolarHBondContact CA-OD2 3.45Å; Y225-R231 HydrophobicContact CD1-CB 4.08Å; Y225-R231 HydrophobicContact CD1-CG 3.89Å; Y225-R231 HydrophobicContact CD2-CB 3.78Å; Y225-R231 HydrophobicContact CD2-CG 4.23Å; Y225-R231 HydrophobicContact CE1-CB 4.34Å; Y225-R231 HydrophobicContact CE1-CG 3.76Å; Y225-R231 HydrophobicContact CE2-CB 4.07Å; Y225-R231 HydrophobicContact CE2-CG 4.12Å; Y225-R231 HydrophobicContact CG-CB 3.8Å; Y225-R231 HydrophobicContact CG-CG 4.13Å
226	H	83.5	Confident	80	Confident	36 Å²	36	53.2 Å²	53.2	17%	0.167	26%	0.255	C	S	.	.	S	Bend	trans	-115	-16.3	-178.5	-51.2	88.3	0	0	0	114.4	C209 C216 Q218 C222 H224 D230	C209-H226 WeakPolarHBondContact CB-CD2 3.23Å; C209-H226 WeakPolarHBondContact CB-NE2 3.39Å; C209-H226 PolarHBondContact SG-NE2 2.9Å; C216-H226 PolarHBondContact SG-NE2 2.94Å; Q218-H226 VanDerWaalsContact CD-CG 3.46Å; Q218-H226 HydrophobicContact CG-CB 4.11Å; Q218-H226 PolarHBondContact NE2-CD2 2.97Å; Q218-H226 PolarHBondContact OE1-CD2 3.48Å; Q218-H226 VanDerWaalsContact OE1-CD2 3.29Å; Q218-H226 PolarHBondContact OE1-NE2 3.07Å; C222-H226 VanDerWaalsContact SG-CE1 3.54Å; H224-H226 PolarHBondContact O-CE1 2.83Å; H226-D230 IonicContact CG-OD2 2.66Å; H226-D230 PolarHBondContact N-OD2 3.43Å; H226-D230 IonicContact ND1-OD2 3.59Å; H226-D230 PolarHBondContact ND1-OD2 3.12Å
227	N	82.9	Confident	81	Confident	84 Å²	84	60.1 Å²	60.1	45%	0.449	28%	0.283	S	S	.	.	S	Bend	trans	-150.9	169	177.8	63.9	63.5	0	0	0	109.8	R229 D230 R231	N227-R229 VanDerWaalsContact C-N 3.29Å; N227-R229 PolarHBondContact O-N 2.87Å; N227-R229 WeakPolarHBondContact OD1-CA 3.46Å; N227-R229 WeakPolarHBondContact OD1-CB 3.49Å; N227-R229 PolarHBondContact OD1-N 3.25Å; N227-D230 PolarHBondContact O-N 3.5Å; N227-D230 VanDerWaalsContact O-N 3.12Å; N227-D230 WeakPolarHBondContact OD1-CB 3.28Å; N227-D230 PolarHBondContact OD1-N 3.05Å; N227-R231 PolarHBondContact O-N 2.78Å; N227-R231 VanDerWaalsContact O-N 3.1Å
228	S	85.7	Confident	82.3	Confident	51 Å²	51	56.8 Å²	56.8	36%	0.357	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.9	-178.6	52.8	0	0	0	0	113.5	D230 R231 P257	S228-D230 VanDerWaalsContact C-N 3.31Å; S228-D230 PolarHBondContact O-N 2.95Å; S228-R231 WeakPolarHBondContact O-CB 3.3Å; S228-R231 PolarHBondContact O-N 3.26Å; S228-P257 WeakPolarHBondContact O-CG 3.45Å
229	R	84.4	Confident	83.8	Confident	118 Å²	118	60.7 Å²	60.7	45%	0.445	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.9	178.2	-49.6	-169.1	-164.1	-169.3	9.4	113.6	N227 W254 G255 E256 S271	N227-R229 VanDerWaalsContact C-N 3.29Å; N227-R229 PolarHBondContact O-N 2.87Å; N227-R229 WeakPolarHBondContact OD1-CA 3.46Å; N227-R229 WeakPolarHBondContact OD1-CB 3.49Å; N227-R229 PolarHBondContact OD1-N 3.25Å; R229-W254 PolarHBondContact NH1-O 3.1Å; R229-W254 VanDerWaalsContact NH1-O 3.13Å; R229-G255 WeakPolarHBondContact CD-O 3.43Å; R229-E256 HydrophobicContact CG-CG 4.29Å; R229-E256 IonicContact CZ-OE1 3.25Å; R229-E256 VanDerWaalsContact NE-CG 3.29Å; R229-E256 IonicContact NE-OE1 2.85Å; R229-E256 IonicContact NH2-OE1 3.83Å; R229-E256 PolarHBondContact NH2-OE1 3.08Å; R229-S271 WeakPolarHBondContact O-CB 3.44Å
230	D	86.6	Confident	85.2	Confident	26 Å²	26	59.6 Å²	59.6	14%	0.139	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-22.4	176	-171.8	38.5	0	0	0	111.8	K205 Y225 H226 N227 S228 T273	K205-D230 VanDerWaalsContact CD-OD1 3.32Å; K205-D230 WeakPolarHBondContact CD-OD1 3.31Å; K205-D230 VanDerWaalsContact CE-OD1 3.27Å; K205-D230 WeakPolarHBondContact CE-OD1 3.26Å; K205-D230 IonicContact NZ-OD1 3.74Å; K205-D230 PolarHBondContact NZ-OD1 2.7Å; K205-D230 IonicContact NZ-OD2 2.62Å; K205-D230 PolarHBondContact NZ-OD2 2.9Å; Y225-D230 VanDerWaalsContact CA-OD2 3.31Å; Y225-D230 WeakPolarHBondContact CA-OD2 3.45Å; H226-D230 IonicContact CG-OD2 2.66Å; H226-D230 PolarHBondContact N-OD2 3.43Å; H226-D230 IonicContact ND1-OD2 3.59Å; H226-D230 PolarHBondContact ND1-OD2 3.12Å; N227-D230 PolarHBondContact O-N 3.5Å; N227-D230 VanDerWaalsContact O-N 3.12Å; N227-D230 WeakPolarHBondContact OD1-CB 3.28Å; N227-D230 PolarHBondContact OD1-N 3.05Å; S228-D230 VanDerWaalsContact C-N 3.31Å; S228-D230 PolarHBondContact O-N 2.95Å; D230-T273 PolarHBondContact O-OG1 3.4Å
231	R	89.9	Confident	86.4	Confident	73 Å²	73	62.3 Å²	62.3	28%	0.275	28%	0.283	S	S	.	.			trans	-60	145.6	178.6	-176.3	174.4	177.1	-113.5	1.8	112.1	Y225 N227 S228 D264 S271	Y225-R231 HydrophobicContact CD1-CB 4.08Å; Y225-R231 HydrophobicContact CD1-CG 3.89Å; Y225-R231 HydrophobicContact CD2-CB 3.78Å; Y225-R231 HydrophobicContact CD2-CG 4.23Å; Y225-R231 HydrophobicContact CE1-CB 4.34Å; Y225-R231 HydrophobicContact CE1-CG 3.76Å; Y225-R231 HydrophobicContact CE2-CB 4.07Å; Y225-R231 HydrophobicContact CE2-CG 4.12Å; Y225-R231 HydrophobicContact CG-CB 3.8Å; Y225-R231 HydrophobicContact CG-CG 4.13Å; N227-R231 PolarHBondContact O-N 2.78Å; N227-R231 VanDerWaalsContact O-N 3.1Å; S228-R231 WeakPolarHBondContact O-CB 3.3Å; S228-R231 PolarHBondContact O-N 3.26Å; R231-D264 IonicContact CZ-OD1 2.86Å; R231-D264 IonicContact CZ-OD2 3.65Å; R231-D264 IonicContact NH1-OD1 2.81Å; R231-D264 PolarHBondContact NH1-OD1 2.81Å; R231-D264 IonicContact NH1-OD2 2.75Å; R231-D264 IonicContact NH2-OD1 2.72Å; R231-D264 PolarHBondContact NH2-OD1 3.18Å; R231-D264 IonicContact NH2-OD2 3.58Å; R231-D264 PolarHBondContact NH2-OD2 3.4Å; R231-S271 PolarHBondContact O-OG 3.13Å
232	R	91.7	Very high	87.4	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	27%	0.268	C	S	.	.			trans	-134.6	120.4	175.4	165.3	167.2	177.4	-87.3	-1.2	111.4	L201 Y204 K205 T206 E274 F277	L201-R232 VanDerWaalsContact O-CZ 3.3Å; L201-R232 PolarHBondContact O-NH1 3.47Å; L201-R232 PolarHBondContact O-NH2 3.27Å; Y204-R232 WeakPolarHBondContact O-CD 3.46Å; Y204-R232 PolarHBondContact O-NH1 2.77Å; K205-R232 HydrophobicContact CB-CB 4.27Å; K205-R232 PolarHBondContact O-N 3.17Å; T206-R232 VanDerWaalsContact CA-O 3.3Å; T206-R232 WeakPolarHBondContact CA-O 3.27Å; R232-E274 HydrophobicContact CB-CG 3.94Å; R232-E274 HydrophobicContact CG-CG 3.96Å; R232-F277 VanDerWaalsContact NE-CB 3.25Å; R232-F277 PolarHBondContact NE-O 3.14Å; R232-F277 PolarHBondContact NH2-O 3.12Å
233	R	91.5	Very high	87.9	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.019	29%	0.29	C	S	.	.			trans	-66	137.6	170.7	-69.8	167.6	-64.4	154.8	1	109.9	P235 F238 Y240 D264 C266 Y268 E274	R233-P235 VanDerWaalsContact O-CD 3.32Å; R233-P235 WeakPolarHBondContact O-CD 3.4Å; R233-F238 HydrophobicContact CB-CB 4.08Å; R233-F238 HydrophobicContact CB-CD2 3.78Å; R233-F238 HydrophobicContact CB-CE2 4.49Å; R233-F238 HydrophobicContact CB-CG 4.04Å; R233-F238 HydrophobicContact CG-CD2 4.22Å; R233-F238 HydrophobicContact CG-CG 4.4Å; R233-Y240 HydrophobicContact CB-CE1 4.38Å; R233-Y240 WeakPolarHBondContact O-CE1 3.31Å; R233-D264 PolarHBondContact NH1-O 3.48Å; R233-C266 PolarHBondContact NH1-O 3.47Å; R233-Y268 PolarHBondContact NH2-O 3.31Å; R233-E274 WeakPolarHBondContact CB-OE1 3.11Å; R233-E274 WeakPolarHBondContact CG-OE1 3.48Å; R233-E274 IonicContact CZ-OE1 3.18Å; R233-E274 IonicContact CZ-OE2 2.82Å; R233-E274 PolarHBondContact N-OE1 2.77Å; R233-E274 IonicContact NE-OE1 3.84Å; R233-E274 PolarHBondContact NE-OE1 3.46Å; R233-E274 IonicContact NE-OE2 2.72Å; R233-E274 IonicContact NH2-OE1 3.38Å; R233-E274 IonicContact NH2-OE2 3.19Å; R233-E274 PolarHBondContact NH2-OE2 3.15Å
234	N	88.6	Confident	88.2	Confident	17 Å²	17	65.4 Å²	65.4	9%	0.091	30%	0.297	C	S	.	.			trans	-70.8	118.6	-178.2	-177.3	-35.1	0	0	0	110.5	A202 T206 R236 K237 F238	A202-N234 VanDerWaalsContact O-CG 3.28Å; A202-N234 PolarHBondContact O-ND2 2.75Å; T206-N234 HydrophobicContact CG2-CB 3.76Å; N234-R236 PolarHBondContact O-N 2.74Å; N234-R236 VanDerWaalsContact OD1-CB 3.32Å; N234-R236 WeakPolarHBondContact OD1-CB 3.27Å; N234-R236 PolarHBondContact OD1-N 3.05Å; N234-K237 HydrophobicContact CB-CB 4.29Å; N234-K237 HydrophobicContact CB-CD 4.4Å; N234-K237 HydrophobicContact CB-CG 4.3Å; N234-K237 PolarHBondContact O-N 3.16Å; N234-F238 PolarHBondContact O-N 3.02Å
235	P	85.2	Confident	88.5	Confident	17 Å²	17	63.7 Å²	63.7	11%	0.11	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.9	-177.3	-23	34.2	0	0	0	115.8	R233 F238 Y240 P279	R233-P235 VanDerWaalsContact O-CD 3.32Å; R233-P235 WeakPolarHBondContact O-CD 3.4Å; P235-F238 WeakPolarHBondContact CA-O 3.38Å; P235-Y240 HydrophobicContact CB-CE1 4.38Å; P235-Y240 HydrophobicContact CG-CE1 4.01Å; P235-P279 HydrophobicContact CB-CG 3.87Å; P235-P279 HydrophobicContact CG-CG 4.16Å
236	R	84.2	Confident	88.7	Confident	174 Å²	174	65.8 Å²	65.8	66%	0.657	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-27.1	171.8	-60.1	-178.3	175.8	173.3	-1.1	112.3	N234	N234-R236 PolarHBondContact O-N 2.74Å; N234-R236 VanDerWaalsContact OD1-CB 3.32Å; N234-R236 WeakPolarHBondContact OD1-CB 3.27Å; N234-R236 PolarHBondContact OD1-N 3.05Å
237	K	85.6	Confident	88.9	Confident	161 Å²	161	67.6 Å²	67.6	70%	0.7	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-40.5	178.3	-63.7	-175.8	178.6	179.8	0	112.6	N234	N234-K237 HydrophobicContact CB-CB 4.29Å; N234-K237 HydrophobicContact CB-CD 4.4Å; N234-K237 HydrophobicContact CB-CG 4.3Å; N234-K237 PolarHBondContact O-N 3.16Å
238	F	87.4	Confident	89.2	Confident	71 Å²	71	63.6 Å²	63.6	31%	0.311	30%	0.298	S	S	.	.	S	Bend	trans	-116.6	127.1	-178	-58.2	-87	0	0	0	109.7	R233 N234 P235 D264	R233-F238 HydrophobicContact CB-CB 4.08Å; R233-F238 HydrophobicContact CB-CD2 3.78Å; R233-F238 HydrophobicContact CB-CE2 4.49Å; R233-F238 HydrophobicContact CB-CG 4.04Å; R233-F238 HydrophobicContact CG-CD2 4.22Å; R233-F238 HydrophobicContact CG-CG 4.4Å; N234-F238 PolarHBondContact O-N 3.02Å; P235-F238 WeakPolarHBondContact CA-O 3.38Å; F238-D264 HydrophobicContact CD1-CB 4.3Å; F238-D264 HydrophobicContact CE1-CB 3.83Å; F238-D264 HydrophobicContact CZ-CB 4.41Å
239	K	87.8	Confident	89.4	Confident	174 Å²	174	63.5 Å²	63.5	76%	0.757	29%	0.291	S	S	*	.			trans	-92.5	107.6	176.4	-65.4	-59.1	-175	-172.7	0	109.9
240	Y	92.9	Very high	89.4	Confident	12 Å²	12	63.8 Å²	63.8	5%	0.047	30%	0.297	C	S	.	.			trans	-131	168.3	174.7	68.6	-84.2	0	0	0	110.1	R233 P235 Q267 C269 E274 H278	R233-Y240 HydrophobicContact CB-CE1 4.38Å; R233-Y240 WeakPolarHBondContact O-CE1 3.31Å; P235-Y240 HydrophobicContact CB-CE1 4.38Å; P235-Y240 HydrophobicContact CG-CE1 4.01Å; Y240-Q267 CarbonylContact C-O 3.58Å; Y240-Q267 WeakPolarHBondContact CA-O 3.29Å; Y240-C269 VanDerWaalsContact CE2-SG 3.51Å; Y240-E274 HydrophobicContact CE2-CB 3.83Å; Y240-E274 HydrophobicContact CE2-CG 4.33Å; Y240-E274 PolarHBondContact OH-O 3Å; Y240-E274 VanDerWaalsContact OH-O 3.1Å; Y240-H278 AromaticContact CD2-CD2 3.89Å; Y240-H278 AromaticContact CE2-CD2 3.48Å; Y240-H278 VanDerWaalsContact CE2-CD2 3.48Å; Y240-H278 WeakPolarHBondContact CE2-CD2 3.33Å; Y240-H278 AromaticContact CZ-CD2 3.94Å; Y240-H278 PolarHBondContact O-NE2 3.21Å
241	R	92	Very high	89.4	Confident	143 Å²	143	65.8 Å²	65.8	54%	0.54	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	156.6	178.9	-60.1	-61.7	177.9	-170.3	-1.7	111.1	T243 Q267 C269	R241-T243 PolarHBondContact O-N 2.9Å; R241-T243 VanDerWaalsContact O-N 3.16Å; R241-Q267 PolarHBondContact N-O 3.11Å; R241-C269 PolarHBondContact O-SG 3.12Å
242	S	92	Very high	89.1	Confident	24 Å²	24	69.1 Å²	69.1	17%	0.168	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-17.9	172	46	0	0	0	0	114.8	Q275 E280	S242-Q275 PolarHBondContact O-NE2 2.98Å; S242-E280 VanDerWaalsContact CB-OE2 3.24Å; S242-E280 WeakPolarHBondContact CB-OE2 3.41Å; S242-E280 PolarHBondContact OG-OE2 3.33Å
243	T	93.5	Very high	88.8	Confident	79 Å²	79	76.7 Å²	76.7	49%	0.485	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134	174.6	-43.3	0	0	0	0	111.7	R241 Y268 C269	R241-T243 PolarHBondContact O-N 2.9Å; R241-T243 VanDerWaalsContact O-N 3.16Å; T243-Y268 HydrophobicContact CG2-CD1 4.45Å; T243-Y268 WeakPolarHBondContact O-CB 3.46Å; T243-C269 PolarHBondContact O-N 3.49Å
244	P	92.6	Very high	88.7	Confident	29 Å²	29	78.6 Å²	78.6	19%	0.188	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	150	173	-22	35.5	0	0	0	113.5	K249 W254 C269	P244-K249 HydrophobicContact CB-CB 3.78Å; P244-K249 HydrophobicContact CB-CD 3.8Å; P244-K249 HydrophobicContact CB-CG 4.41Å; P244-K249 HydrophobicContact CG-CD 3.73Å; P244-W254 HydrophobicContact CB-CH2 3.73Å; P244-W254 HydrophobicContact CB-CZ2 4.32Å; P244-W254 HydrophobicContact CB-CZ3 4.19Å; P244-W254 HydrophobicContact CG-CH2 3.85Å; P244-W254 HydrophobicContact CG-CZ2 4.09Å; P244-C269 WeakPolarHBondContact CA-O 3.31Å
245	C	93.4	Very high	88.5	Confident	4 Å²	4	78.8 Å²	78.8	3%	0.027	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-72.3	129.1	171.4	-177.6	0	0	0	0	110	N247 V248 K249 C269 H270	C245-N247 VanDerWaalsContact C-N 3.27Å; C245-N247 PolarHBondContact O-N 3.45Å; C245-V248 HydrophobicContact CB-CB 4.18Å; C245-V248 HydrophobicContact CB-CG2 3.99Å; C245-V248 PolarHBondContact O-N 2.79Å; C245-K249 PolarHBondContact O-N 3.48Å; C245-C269 PolarHBondContact N-O 3.1Å; C245-H270 VanDerWaalsContact CB-CD2 3.49Å; C245-H270 WeakPolarHBondContact CB-CD2 3.39Å
246	P	90.4	Very high	88.6	Confident	83 Å²	83	81.6 Å²	81.6	54%	0.539	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.8	179.6	24.3	-33.7	0	0	0	112.7	V248	P246-V248 PolarHBondContact O-N 3.41Å
247	N	88.7	Confident	88.7	Confident	73 Å²	73	74.2 Å²	74.2	39%	0.39	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.1	177.5	-58.5	22.3	0	0	0	112.9	C245 H250 C260	C245-N247 VanDerWaalsContact C-N 3.27Å; C245-N247 PolarHBondContact O-N 3.45Å; N247-H250 PolarHBondContact O-CE1 2.97Å; N247-C260 HydrophobicContact CB-CB 4.47Å
248	V	89.9	Confident	88.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-34.9	-175.8	-170.1	0	0	0	0	112.9	C245 P246 G255 C260 H270	C245-V248 HydrophobicContact CB-CB 4.18Å; C245-V248 HydrophobicContact CB-CG2 3.99Å; C245-V248 PolarHBondContact O-N 2.79Å; P246-V248 PolarHBondContact O-N 3.41Å; V248-G255 WeakPolarHBondContact O-CA 3.33Å; V248-G255 PolarHBondContact O-N 3.38Å; V248-C260 HydrophobicContact CG2-CB 3.82Å; V248-H270 WeakPolarHBondContact CG1-O 3.46Å
249	K	88.9	Confident	88.6	Confident	50 Å²	50	74.3 Å²	74.3	22%	0.217	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.8	173.2	-171.3	-177.5	-170.7	-88.6	0	111	P244 C245 G251 D252 E253 W254	P244-K249 HydrophobicContact CB-CB 3.78Å; P244-K249 HydrophobicContact CB-CD 3.8Å; P244-K249 HydrophobicContact CB-CG 4.41Å; P244-K249 HydrophobicContact CG-CD 3.73Å; C245-K249 PolarHBondContact O-N 3.48Å; K249-G251 PolarHBondContact NZ-O 3.11Å; K249-D252 IonicContact NZ-OD1 2.7Å; K249-D252 PolarHBondContact NZ-OD1 3.18Å; K249-E253 WeakPolarHBondContact CA-O 3.42Å; K249-E253 WeakPolarHBondContact CG-O 3.45Å; K249-W254 HydrophobicContact CB-CD2 4.44Å; K249-W254 HydrophobicContact CB-CE3 4.34Å; K249-W254 HydrophobicContact CD-CD2 4.49Å; K249-W254 HydrophobicContact CD-CZ2 3.98Å; K249-W254 HydrophobicContact CG-CD2 4.42Å
250	H	85.3	Confident	88.6	Confident	123 Å²	123	66.3 Å²	66.3	57%	0.569	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.6	177.7	-64	73.7	0	0	0	109	N247 D252 E253	N247-H250 PolarHBondContact O-CE1 2.97Å; H250-D252 PolarHBondContact O-N 3.05Å; H250-E253 PolarHBondContact N-O 3.05Å; H250-E253 PolarHBondContact O-N 3.12Å
251	G	86.1	Confident	88.4	Confident	68 Å²	68	72.9 Å²	72.9	70%	0.701	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	-122.6	-168.4	0	0	0	0	0	109.8	K249	K249-G251 PolarHBondContact NZ-O 3.11Å
252	D	82.4	Confident	88.1	Confident	144 Å²	144	69 Å²	69	77%	0.77	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.9	172.7	-80.7	-37.6	0	0	0	116.2	K249 H250	K249-D252 IonicContact NZ-OD1 2.7Å; K249-D252 PolarHBondContact NZ-OD1 3.18Å; H250-D252 PolarHBondContact O-N 3.05Å
253	E	87.4	Confident	87.9	Confident	159 Å²	159	70.3 Å²	70.3	74%	0.743	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	137.9	-179.3	-61.1	-155.4	148.6	0	0	112.9	K249 H250	K249-E253 WeakPolarHBondContact CA-O 3.42Å; K249-E253 WeakPolarHBondContact CG-O 3.45Å; H250-E253 PolarHBondContact N-O 3.05Å; H250-E253 PolarHBondContact O-N 3.12Å
254	W	87.4	Confident	87.6	Confident	46 Å²	46	69 Å²	69	17%	0.174	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.9	171.7	-70.3	83.5	0	0	0	109.9	R229 P244 K249 C269 S271 R272 Q275	R229-W254 PolarHBondContact NH1-O 3.1Å; R229-W254 VanDerWaalsContact NH1-O 3.13Å; P244-W254 HydrophobicContact CB-CH2 3.73Å; P244-W254 HydrophobicContact CB-CZ2 4.32Å; P244-W254 HydrophobicContact CB-CZ3 4.19Å; P244-W254 HydrophobicContact CG-CH2 3.85Å; P244-W254 HydrophobicContact CG-CZ2 4.09Å; K249-W254 HydrophobicContact CB-CD2 4.44Å; K249-W254 HydrophobicContact CB-CE3 4.34Å; K249-W254 HydrophobicContact CD-CD2 4.49Å; K249-W254 HydrophobicContact CD-CZ2 3.98Å; K249-W254 HydrophobicContact CG-CD2 4.42Å; W254-C269 HydrophobicContact CH2-CB 4.16Å; W254-S271 WeakPolarHBondContact CH2-O 3.47Å; W254-R272 HydrophobicContact CD2-CB 4.37Å; W254-R272 HydrophobicContact CZ2-CB 4.35Å; W254-Q275 HydrophobicContact CH2-CB 4.36Å; W254-Q275 HydrophobicContact CZ2-CB 4.49Å
255	G	86.1	Confident	87.4	Confident	20 Å²	20	72.2 Å²	72.2	21%	0.206	42%	0.417	C	S	.	.			trans	-74.3	-148.9	172.3	0	0	0	0	0	112.6	R229 V248	R229-G255 WeakPolarHBondContact CD-O 3.43Å; V248-G255 WeakPolarHBondContact O-CA 3.33Å; V248-G255 PolarHBondContact O-N 3.38Å
256	E	86.3	Confident	87.3	Confident	76 Å²	76	72.5 Å²	72.5	36%	0.355	42%	0.418	S	S	.	.			trans	-107.3	132.5	-177.3	-75.8	171.4	-169.5	0	0	111.1	R229 S258 K259	R229-E256 HydrophobicContact CG-CG 4.29Å; R229-E256 IonicContact CZ-OE1 3.25Å; R229-E256 VanDerWaalsContact NE-CG 3.29Å; R229-E256 IonicContact NE-OE1 2.85Å; R229-E256 IonicContact NH2-OE1 3.83Å; R229-E256 PolarHBondContact NH2-OE1 3.08Å; E256-S258 PolarHBondContact O-N 3.14Å; E256-K259 WeakPolarHBondContact O-CB 3.48Å; E256-K259 PolarHBondContact O-N 2.84Å
257	P	85.9	Confident	87.5	Confident	20 Å²	20	74.6 Å²	74.6	13%	0.13	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-53.4	-28.2	177.5	-30	36.4	0	0	0	114.3	S228 K259 C260 H270	S228-P257 WeakPolarHBondContact O-CG 3.45Å; P257-K259 PolarHBondContact O-N 3.13Å; P257-K259 VanDerWaalsContact O-N 3.13Å; P257-C260 PolarHBondContact O-N 2.91Å; P257-C260 VanDerWaalsContact O-N 3.12Å; P257-H270 HydrophobicContact CB-CB 3.93Å; P257-H270 HydrophobicContact CG-CB 4.03Å
258	S	86.1	Confident	87.7	Confident	99 Å²	99	76 Å²	76	69%	0.692	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-62.6	-11.7	176.2	-41.2	0	0	0	0	114.3	E256 C260	E256-S258 PolarHBondContact O-N 3.14Å; S258-C260 VanDerWaalsContact C-N 3.31Å
259	K	84.5	Confident	87.8	Confident	134 Å²	134	76 Å²	76	58%	0.583	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-85.3	1.5	174.4	-61.4	-170.2	176.5	-169.7	0	113.8	E256 P257	E256-K259 WeakPolarHBondContact O-CB 3.48Å; E256-K259 PolarHBondContact O-N 2.84Å; P257-K259 PolarHBondContact O-N 3.13Å; P257-K259 VanDerWaalsContact O-N 3.13Å
260	C	88.4	Confident	88	Confident	6 Å²	6	73.9 Å²	73.9	4%	0.041	41%	0.412	C	S	.	.			trans	-106.6	114.9	171.2	-178.9	0	0	0	0	109.8	N247 V248 P257 S258 S262 A263 C266 H270	N247-C260 HydrophobicContact CB-CB 4.47Å; V248-C260 HydrophobicContact CG2-CB 3.82Å; P257-C260 PolarHBondContact O-N 2.91Å; P257-C260 VanDerWaalsContact O-N 3.12Å; S258-C260 VanDerWaalsContact C-N 3.31Å; C260-S262 PolarHBondContact O-N 3Å; C260-A263 WeakPolarHBondContact O-CA 3.3Å; C260-A263 PolarHBondContact O-N 3.16Å; C260-C266 VanDerWaalsContact SG-SG 3.68Å; C260-H270 VanDerWaalsContact CB-CE1 3.5Å; C260-H270 WeakPolarHBondContact CB-CE1 3.48Å; C260-H270 PolarHBondContact SG-NE2 2.99Å
261	D	88.9	Confident	88.3	Confident	150 Å²	150	68.1 Å²	68.1	80%	0.802	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.2	-176.9	-44.8	-77.5	0	0	0	112.6	A263	D261-A263 PolarHBondContact O-N 3.23Å
262	S	85.6	Confident	88.5	Confident	63 Å²	63	72.3 Å²	72.3	44%	0.441	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.7	172.9	-48.8	0	0	0	0	113.4	C260 D264 S265 C266	C260-S262 PolarHBondContact O-N 3Å; S262-D264 PolarHBondContact O-N 2.56Å; S262-S265 WeakPolarHBondContact O-CA 3.48Å; S262-S265 WeakPolarHBondContact O-CB 3.4Å; S262-S265 PolarHBondContact O-N 2.82Å; S262-S265 PolarHBondContact O-OG 3.23Å; S262-C266 PolarHBondContact O-N 2.72Å
263	A	87.4	Confident	89	Confident	51 Å²	51	66.2 Å²	66.2	42%	0.421	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	42.3	-122.1	178.5	0	0	0	0	0	112.8	C260 D261 S265 C266 H270	C260-A263 WeakPolarHBondContact O-CA 3.3Å; C260-A263 PolarHBondContact O-N 3.16Å; D261-A263 PolarHBondContact O-N 3.23Å; A263-S265 VanDerWaalsContact C-N 3.26Å; A263-S265 PolarHBondContact O-N 2.87Å; A263-C266 WeakPolarHBondContact O-CB 3.41Å; A263-C266 PolarHBondContact O-N 3.24Å; A263-H270 PolarHBondContact O-CE1 2.69Å
264	D	87.3	Confident	89.2	Confident	52 Å²	52	58.9 Å²	58.9	28%	0.278	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-68.3	-22.6	-177.5	-79.9	-1	0	0	0	114.2	R231 R233 F238 S262 C266	R231-D264 IonicContact CZ-OD1 2.86Å; R231-D264 IonicContact CZ-OD2 3.65Å; R231-D264 IonicContact NH1-OD1 2.81Å; R231-D264 PolarHBondContact NH1-OD1 2.81Å; R231-D264 IonicContact NH1-OD2 2.75Å; R231-D264 IonicContact NH2-OD1 2.72Å; R231-D264 PolarHBondContact NH2-OD1 3.18Å; R231-D264 IonicContact NH2-OD2 3.58Å; R231-D264 PolarHBondContact NH2-OD2 3.4Å; R233-D264 PolarHBondContact NH1-O 3.48Å; F238-D264 HydrophobicContact CD1-CB 4.3Å; F238-D264 HydrophobicContact CE1-CB 3.83Å; F238-D264 HydrophobicContact CZ-CB 4.41Å; S262-D264 PolarHBondContact O-N 2.56Å; D264-C266 VanDerWaalsContact C-N 3.3Å; D264-C266 PolarHBondContact O-N 3.41Å
265	S	89	Confident	89.5	Confident	96 Å²	96	59.3 Å²	59.3	67%	0.671	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-80.1	-5.6	177.6	73.7	0	0	0	0	114.4	S262 A263 Q267	S262-S265 WeakPolarHBondContact O-CA 3.48Å; S262-S265 WeakPolarHBondContact O-CB 3.4Å; S262-S265 PolarHBondContact O-N 2.82Å; S262-S265 PolarHBondContact O-OG 3.23Å; A263-S265 VanDerWaalsContact C-N 3.26Å; A263-S265 PolarHBondContact O-N 2.87Å; S265-Q267 PolarHBondContact O-N 3Å
266	C	92.1	Very high	89.7	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.061	32%	0.319	C	S	.	.			trans	-61.5	130	178.2	-173.3	0	0	0	0	112.3	R233 C260 S262 A263 D264 Y268 H270	R233-C266 PolarHBondContact NH1-O 3.47Å; C260-C266 VanDerWaalsContact SG-SG 3.68Å; S262-C266 PolarHBondContact O-N 2.72Å; A263-C266 WeakPolarHBondContact O-CB 3.41Å; A263-C266 PolarHBondContact O-N 3.24Å; D264-C266 VanDerWaalsContact C-N 3.3Å; D264-C266 PolarHBondContact O-N 3.41Å; C266-Y268 PolarHBondContact O-N 3.04Å; C266-Y268 VanDerWaalsContact O-N 3.12Å; C266-H270 WeakPolarHBondContact CB-CE1 3.22Å; C266-H270 WeakPolarHBondContact CB-NE2 3.38Å; C266-H270 PolarHBondContact SG-NE2 3.03Å
267	Q	93.1	Very high	90	Very high	128 Å²	128	57.2 Å²	57.2	60%	0.598	30%	0.303	S	S	*	.	S	Bend	trans	-76.1	8.6	-179.3	-59.2	-173	14.7	0	0	114.4	Y240 R241 S265	Y240-Q267 CarbonylContact C-O 3.58Å; Y240-Q267 WeakPolarHBondContact CA-O 3.29Å; R241-Q267 PolarHBondContact N-O 3.11Å; S265-Q267 PolarHBondContact O-N 3Å
268	Y	92.9	Very high	90.3	Very high	101 Å²	101	56.7 Å²	56.7	40%	0.396	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.1	-174.4	-58.9	-74.1	0	0	0	111.9	R233 T243 C266 H270	R233-Y268 PolarHBondContact NH2-O 3.31Å; T243-Y268 HydrophobicContact CG2-CD1 4.45Å; T243-Y268 WeakPolarHBondContact O-CB 3.46Å; C266-Y268 PolarHBondContact O-N 3.04Å; C266-Y268 VanDerWaalsContact O-N 3.12Å; Y268-H270 PolarHBondContact O-CD2 3.17Å
269	C	93.5	Very high	90.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.7	177.7	-68.4	0	0	0	0	112.2	Y240 R241 T243 P244 C245 W254 E274 Q275	Y240-C269 VanDerWaalsContact CE2-SG 3.51Å; R241-C269 PolarHBondContact O-SG 3.12Å; T243-C269 PolarHBondContact O-N 3.49Å; P244-C269 WeakPolarHBondContact CA-O 3.31Å; C245-C269 PolarHBondContact N-O 3.1Å; W254-C269 HydrophobicContact CH2-CB 4.16Å; C269-E274 HydrophobicContact CB-CB 4.12Å; C269-Q275 HydrophobicContact CB-CB 4.18Å; C269-Q275 VanDerWaalsContact SG-CA 3.57Å
270	H	92.5	Very high	90.8	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.028	28%	0.283	C	S	.	.			trans	-104.1	-14.4	176.8	-73.4	-173.4	0	0	0	113.6	C245 V248 P257 C260 A263 C266 Y268 E274	C245-H270 VanDerWaalsContact CB-CD2 3.49Å; C245-H270 WeakPolarHBondContact CB-CD2 3.39Å; V248-H270 WeakPolarHBondContact CG1-O 3.46Å; P257-H270 HydrophobicContact CB-CB 3.93Å; P257-H270 HydrophobicContact CG-CB 4.03Å; C260-H270 VanDerWaalsContact CB-CE1 3.5Å; C260-H270 WeakPolarHBondContact CB-CE1 3.48Å; C260-H270 PolarHBondContact SG-NE2 2.99Å; A263-H270 PolarHBondContact O-CE1 2.69Å; C266-H270 WeakPolarHBondContact CB-CE1 3.22Å; C266-H270 WeakPolarHBondContact CB-NE2 3.38Å; C266-H270 PolarHBondContact SG-NE2 3.03Å; Y268-H270 PolarHBondContact O-CD2 3.17Å; H270-E274 PolarHBondContact N-OE2 3.22Å
271	S	91.4	Very high	91	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.014	30%	0.296	C	S	.	.	S	Bend	trans	-133.3	156.3	172.6	66.7	0	0	0	0	112.3	R229 R231 W254 T273 E274 Q275	R229-S271 WeakPolarHBondContact O-CB 3.44Å; R231-S271 PolarHBondContact O-OG 3.13Å; W254-S271 WeakPolarHBondContact CH2-O 3.47Å; S271-T273 PolarHBondContact O-N 3.08Å; S271-E274 WeakPolarHBondContact O-CB 3.34Å; S271-E274 PolarHBondContact O-N 2.71Å; S271-E274 VanDerWaalsContact O-N 3.11Å; S271-E274 WeakPolarHBondContact OG-CG 3.49Å; S271-E274 PolarHBondContact OG-N 2.95Å; S271-Q275 PolarHBondContact O-N 2.9Å
272	R	91.3	Very high	91.1	Very high	156 Å²	156	50.3 Å²	50.3	59%	0.589	26%	0.262	S	S	*	.	H	α-helix	trans	-54	-33.5	168	-173.8	177.1	-174.3	152.7	7.2	111	W254 Q275 Q276	W254-R272 HydrophobicContact CD2-CB 4.37Å; W254-R272 HydrophobicContact CZ2-CB 4.35Å; R272-Q275 PolarHBondContact O-N 3.22Å; R272-Q276 HydrophobicContact CG-CG 4.28Å; R272-Q276 WeakPolarHBondContact O-CB 3.4Å; R272-Q276 VanDerWaalsContact O-CG 3.31Å; R272-Q276 WeakPolarHBondContact O-CG 3.49Å; R272-Q276 PolarHBondContact O-N 3.3Å
273	T	91	Very high	91.3	Very high	17 Å²	17	50.4 Å²	50.4	10%	0.104	25%	0.254	C	S	.	.	H	α-helix	trans	-69.7	-41.6	177.4	-20.8	0	0	0	0	112.5	Y204 K205 D230 S271 Q275 F277	Y204-T273 HydrophobicContact CE1-CG2 3.99Å; K205-T273 HydrophobicContact CB-CG2 4.5Å; K205-T273 HydrophobicContact CD-CG2 3.69Å; D230-T273 PolarHBondContact O-OG1 3.4Å; S271-T273 PolarHBondContact O-N 3.08Å; T273-Q275 VanDerWaalsContact C-N 3.27Å; T273-Q275 PolarHBondContact O-N 3.17Å; T273-F277 HydrophobicContact CG2-CD2 4.16Å; T273-F277 HydrophobicContact CG2-CE2 4.38Å; T273-F277 WeakPolarHBondContact O-CB 3.39Å; T273-F277 PolarHBondContact O-N 3.25Å
274	E	93.1	Very high	91.3	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-38.5	173.1	-80.4	-174.1	170.5	0	0	112.5	R232 R233 Y240 C269 H270 S271 H278	R232-E274 HydrophobicContact CB-CG 3.94Å; R232-E274 HydrophobicContact CG-CG 3.96Å; R233-E274 WeakPolarHBondContact CB-OE1 3.11Å; R233-E274 WeakPolarHBondContact CG-OE1 3.48Å; R233-E274 IonicContact CZ-OE1 3.18Å; R233-E274 IonicContact CZ-OE2 2.82Å; R233-E274 PolarHBondContact N-OE1 2.77Å; R233-E274 IonicContact NE-OE1 3.84Å; R233-E274 PolarHBondContact NE-OE1 3.46Å; R233-E274 IonicContact NE-OE2 2.72Å; R233-E274 IonicContact NH2-OE1 3.38Å; R233-E274 IonicContact NH2-OE2 3.19Å; R233-E274 PolarHBondContact NH2-OE2 3.15Å; Y240-E274 HydrophobicContact CE2-CB 3.83Å; Y240-E274 HydrophobicContact CE2-CG 4.33Å; Y240-E274 PolarHBondContact OH-O 3Å; Y240-E274 VanDerWaalsContact OH-O 3.1Å; C269-E274 HydrophobicContact CB-CB 4.12Å; H270-E274 PolarHBondContact N-OE2 3.22Å; S271-E274 WeakPolarHBondContact O-CB 3.34Å; S271-E274 PolarHBondContact O-N 2.71Å; S271-E274 VanDerWaalsContact O-N 3.11Å; S271-E274 WeakPolarHBondContact OG-CG 3.49Å; S271-E274 PolarHBondContact OG-N 2.95Å; E274-H278 PolarHBondContact O-N 3.4Å; E274-H278 VanDerWaalsContact O-N 3.12Å
275	Q	92.7	Very high	91.4	Very high	55 Å²	55	52.7 Å²	52.7	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-73.4	-52	176.9	178	171.1	67.1	0	0	112.2	S242 W254 C269 S271 R272 T273 F277 H278 I281	S242-Q275 PolarHBondContact O-NE2 2.98Å; W254-Q275 HydrophobicContact CH2-CB 4.36Å; W254-Q275 HydrophobicContact CZ2-CB 4.49Å; C269-Q275 HydrophobicContact CB-CB 4.18Å; C269-Q275 VanDerWaalsContact SG-CA 3.57Å; S271-Q275 PolarHBondContact O-N 2.9Å; R272-Q275 PolarHBondContact O-N 3.22Å; T273-Q275 VanDerWaalsContact C-N 3.27Å; T273-Q275 PolarHBondContact O-N 3.17Å; Q275-F277 PolarHBondContact O-N 3.17Å; Q275-H278 VanDerWaalsContact O-CB 3.31Å; Q275-H278 WeakPolarHBondContact O-CB 3.31Å; Q275-H278 PolarHBondContact O-N 2.77Å; Q275-I281 WeakPolarHBondContact O-CB 3.41Å
276	Q	91.7	Very high	91.4	Very high	48 Å²	48	54.9 Å²	54.9	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-25.3	-177.2	-75.4	-174.4	-36.5	0	0	113.4	R272 A303	R272-Q276 HydrophobicContact CG-CG 4.28Å; R272-Q276 WeakPolarHBondContact O-CB 3.4Å; R272-Q276 VanDerWaalsContact O-CG 3.31Å; R272-Q276 WeakPolarHBondContact O-CG 3.49Å; R272-Q276 PolarHBondContact O-N 3.3Å; Q276-A303 HydrophobicContact CB-CB 3.97Å
277	F	92.4	Very high	91.3	Very high	5 Å²	5	54.5 Å²	54.5	2%	0.022	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	25.6	175	-65	-105.2	0	0	0	111.5	V200 L201 Y204 R232 T273 Q275 Y282 F301 A303	V200-F277 HydrophobicContact CG1-CD1 4.1Å; V200-F277 HydrophobicContact CG1-CE1 3.91Å; L201-F277 WeakPolarHBondContact CD2-O 3.41Å; Y204-F277 AromaticContact CD1-CD1 3.63Å; Y204-F277 HydrophobicContact CD1-CD1 3.63Å; Y204-F277 HydrophobicContact CD1-CD2 4.03Å; Y204-F277 AromaticContact CD1-CE1 3.47Å; Y204-F277 HydrophobicContact CD1-CE1 3.47Å; Y204-F277 VanDerWaalsContact CD1-CE1 3.47Å; Y204-F277 AromaticContact CD1-CE2 3.92Å; Y204-F277 HydrophobicContact CD1-CE2 3.92Å; Y204-F277 AromaticContact CD1-CG 3.91Å; Y204-F277 HydrophobicContact CD1-CG 3.91Å; Y204-F277 AromaticContact CD1-CZ 3.63Å; Y204-F277 HydrophobicContact CD1-CZ 3.63Å; Y204-F277 HydrophobicContact CE1-CD1 4.12Å; Y204-F277 AromaticContact CE1-CD2 3.9Å; Y204-F277 HydrophobicContact CE1-CD2 3.9Å; Y204-F277 AromaticContact CE1-CE1 3.62Å; Y204-F277 HydrophobicContact CE1-CE1 3.62Å; Y204-F277 AromaticContact CE1-CE2 3.4Å; Y204-F277 HydrophobicContact CE1-CE2 3.4Å; Y204-F277 HydrophobicContact CE1-CG 4.25Å; Y204-F277 AromaticContact CE1-CZ 3.23Å; Y204-F277 HydrophobicContact CE1-CZ 3.23Å; Y204-F277 HydrophobicContact CG-CD1 4.38Å; Y204-F277 HydrophobicContact CG-CE1 4.14Å; Y204-F277 AromaticContact CZ-CZ 3.92Å; R232-F277 VanDerWaalsContact NE-CB 3.25Å; R232-F277 PolarHBondContact NE-O 3.14Å; R232-F277 PolarHBondContact NH2-O 3.12Å; T273-F277 HydrophobicContact CG2-CD2 4.16Å; T273-F277 HydrophobicContact CG2-CE2 4.38Å; T273-F277 WeakPolarHBondContact O-CB 3.39Å; T273-F277 PolarHBondContact O-N 3.25Å; Q275-F277 PolarHBondContact O-N 3.17Å; F277-Y282 AromaticContact CD1-CD2 3.54Å; F277-Y282 HydrophobicContact CD1-CD2 3.54Å; F277-Y282 AromaticContact CD1-CE2 3.48Å; F277-Y282 HydrophobicContact CD1-CE2 3.48Å; F277-Y282 VanDerWaalsContact CD1-CE2 3.48Å; F277-Y282 AromaticContact CE1-CD2 3.97Å; F277-Y282 HydrophobicContact CE1-CD2 3.97Å; F277-Y282 AromaticContact CE1-CE2 3.5Å; F277-Y282 HydrophobicContact CE1-CE2 3.5Å; F277-Y282 VanDerWaalsContact CE1-CE2 3.5Å; F277-Y282 HydrophobicContact CG-CD2 4.12Å; F277-Y282 HydrophobicContact CG-CE2 4.46Å; F277-Y282 HydrophobicContact CZ-CE2 4.47Å; F277-F301 WeakPolarHBondContact CZ-O 3.43Å; F277-A303 HydrophobicContact CD2-CB 4.36Å; F277-A303 HydrophobicContact CE2-CB 3.88Å; F277-A303 HydrophobicContact CZ-CB 4.03Å
278	H	92.4	Very high	91.1	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.042	26%	0.257	C	S	.	.	S	Bend	trans	-69.8	140.5	166.8	-165.5	-100	0	0	0	109.3	Y240 E274 Q275 E280 I281 Y282	Y240-H278 AromaticContact CD2-CD2 3.89Å; Y240-H278 AromaticContact CE2-CD2 3.48Å; Y240-H278 VanDerWaalsContact CE2-CD2 3.48Å; Y240-H278 WeakPolarHBondContact CE2-CD2 3.33Å; Y240-H278 AromaticContact CZ-CD2 3.94Å; Y240-H278 PolarHBondContact O-NE2 3.21Å; E274-H278 PolarHBondContact O-N 3.4Å; E274-H278 VanDerWaalsContact O-N 3.12Å; Q275-H278 VanDerWaalsContact O-CB 3.31Å; Q275-H278 WeakPolarHBondContact O-CB 3.31Å; Q275-H278 PolarHBondContact O-N 2.77Å; H278-E280 IonicContact CE1-OE1 2.82Å; H278-E280 IonicContact CE1-OE2 3.99Å; H278-E280 PolarHBondContact CE1-OE2 3.49Å; H278-E280 WeakPolarHBondContact ND1-CB 3.34Å; H278-E280 PolarHBondContact ND1-N 2.95Å; H278-E280 IonicContact ND1-OE2 2.82Å; H278-E280 PolarHBondContact ND1-OE2 2.93Å; H278-E280 VanDerWaalsContact ND1-OE2 3.14Å; H278-E280 PolarHBondContact O-N 3.34Å; H278-E280 VanDerWaalsContact O-N 3.08Å; H278-I281 HydrophobicContact CB-CB 4.21Å; H278-I281 HydrophobicContact CB-CG1 4.05Å; H278-I281 PolarHBondContact O-N 3.18Å; H278-Y282 WeakPolarHBondContact O-CB 3.24Å; H278-Y282 PolarHBondContact O-N 2.91Å
279	P	91.4	Very high	90.7	Very high	73 Å²	73	50.1 Å²	50.1	47%	0.474	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.5	-179.4	-28.5	36.9	0	0	0	115.2	P235	P235-P279 HydrophobicContact CB-CG 3.87Å; P235-P279 HydrophobicContact CG-CG 4.16Å
280	E	89.5	Confident	90.2	Very high	101 Å²	101	53.3 Å²	53.3	47%	0.472	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-17.6	176	-61	158.9	-178.6	0	0	113.5	S242 H278	S242-E280 VanDerWaalsContact CB-OE2 3.24Å; S242-E280 WeakPolarHBondContact CB-OE2 3.41Å; S242-E280 PolarHBondContact OG-OE2 3.33Å; H278-E280 IonicContact CE1-OE1 2.82Å; H278-E280 IonicContact CE1-OE2 3.99Å; H278-E280 PolarHBondContact CE1-OE2 3.49Å; H278-E280 WeakPolarHBondContact ND1-CB 3.34Å; H278-E280 PolarHBondContact ND1-N 2.95Å; H278-E280 IonicContact ND1-OE2 2.82Å; H278-E280 PolarHBondContact ND1-OE2 2.93Å; H278-E280 VanDerWaalsContact ND1-OE2 3.14Å; H278-E280 PolarHBondContact O-N 3.34Å; H278-E280 VanDerWaalsContact O-N 3.08Å
281	I	90.9	Very high	89.8	Confident	60 Å²	60	61.5 Å²	61.5	31%	0.308	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-32	-168.8	-55.6	-61	0	0	0	112	Q275 H278 K283 S284	Q275-I281 WeakPolarHBondContact O-CB 3.41Å; H278-I281 HydrophobicContact CB-CB 4.21Å; H278-I281 HydrophobicContact CB-CG1 4.05Å; H278-I281 PolarHBondContact O-N 3.18Å; I281-K283 PolarHBondContact O-N 3.44Å; I281-S284 WeakPolarHBondContact O-CB 3.46Å; I281-S284 PolarHBondContact O-N 3.36Å; I281-S284 VanDerWaalsContact O-N 3.14Å; I281-S284 PolarHBondContact O-OG 2.94Å
282	Y	91.8	Very high	89.2	Confident	20 Å²	20	69 Å²	69	8%	0.078	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	122.6	-178.1	-178.4	-110.6	0	0	0	111.1	T197 V200 L201 F277 H278 S284	T197-Y282 HydrophobicContact CG2-CE1 4Å; V200-Y282 HydrophobicContact CG1-CE2 4.24Å; V200-Y282 WeakPolarHBondContact CG1-OH 3.42Å; L201-Y282 HydrophobicContact CD1-CD1 3.82Å; L201-Y282 HydrophobicContact CD1-CE1 4.37Å; L201-Y282 HydrophobicContact CD2-CD1 3.74Å; L201-Y282 HydrophobicContact CD2-CE1 4.46Å; L201-Y282 HydrophobicContact CD2-CG 3.76Å; L201-Y282 HydrophobicContact CG-CD1 3.61Å; L201-Y282 HydrophobicContact CG-CE1 3.99Å; L201-Y282 HydrophobicContact CG-CG 4.17Å; F277-Y282 AromaticContact CD1-CD2 3.54Å; F277-Y282 HydrophobicContact CD1-CD2 3.54Å; F277-Y282 AromaticContact CD1-CE2 3.48Å; F277-Y282 HydrophobicContact CD1-CE2 3.48Å; F277-Y282 VanDerWaalsContact CD1-CE2 3.48Å; F277-Y282 AromaticContact CE1-CD2 3.97Å; F277-Y282 HydrophobicContact CE1-CD2 3.97Å; F277-Y282 AromaticContact CE1-CE2 3.5Å; F277-Y282 HydrophobicContact CE1-CE2 3.5Å; F277-Y282 VanDerWaalsContact CE1-CE2 3.5Å; F277-Y282 HydrophobicContact CG-CD2 4.12Å; F277-Y282 HydrophobicContact CG-CE2 4.46Å; F277-Y282 HydrophobicContact CZ-CE2 4.47Å; H278-Y282 WeakPolarHBondContact O-CB 3.24Å; H278-Y282 PolarHBondContact O-N 2.91Å; Y282-S284 PolarHBondContact O-N 2.85Å
283	K	89.1	Confident	88.6	Confident	66 Å²	66	66.1 Å²	66.1	29%	0.287	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	17.2	-175.9	-60.4	-169.7	173.7	-178.3	0	115.5	T197 I281 T285 A303 A305	T197-K283 HydrophobicContact CG2-CD 3.92Å; T197-K283 VanDerWaalsContact CG2-NZ 3.31Å; I281-K283 PolarHBondContact O-N 3.44Å; K283-T285 PolarHBondContact O-N 3.47Å; K283-A303 WeakPolarHBondContact CA-O 3.37Å; K283-A303 PolarHBondContact N-O 3.22Å; K283-A305 HydrophobicContact CB-CB 4.11Å; K283-A305 WeakPolarHBondContact O-CB 3.39Å
284	S	88.1	Confident	88	Confident	77 Å²	77	67.6 Å²	67.6	54%	0.538	35%	0.348	S	S	.	.	S	Bend	trans	-66.9	-21.5	173	69.4	0	0	0	0	113.7	I281 Y282	I281-S284 WeakPolarHBondContact O-CB 3.46Å; I281-S284 PolarHBondContact O-N 3.36Å; I281-S284 VanDerWaalsContact O-N 3.14Å; I281-S284 PolarHBondContact O-OG 2.94Å; Y282-S284 PolarHBondContact O-N 2.85Å
285	T	89.6	Confident	87.4	Confident	74 Å²	74	74 Å²	74	45%	0.454	37%	0.373	S	S	.	.	S	Bend	trans	-125.9	137.7	-174.4	37.3	0	0	0	0	111.1	K283 F304 A305	K283-T285 PolarHBondContact O-N 3.47Å; T285-F304 CarbonylContact O-C 3.53Å; T285-F304 WeakPolarHBondContact O-CA 3.3Å; T285-F304 WeakPolarHBondContact O-CB 3.5Å; T285-F304 WeakPolarHBondContact OG1-CD1 3.32Å; T285-A305 PolarHBondContact O-N 2.78Å
286	K	89.8	Confident	86.8	Confident	142 Å²	142	71.7 Å²	71.7	62%	0.617	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-70.6	137	-176.2	-63.9	-178.6	-179.6	178.3	0	111.3	V307	K286-V307 HydrophobicContact CD-CG2 4.23Å; K286-V307 HydrophobicContact CG-CG2 4.24Å
287	C	90	Very high	86.1	Confident	1 Å²	1	72 Å²	72	1%	0.007	37%	0.369	C	S	.	.			trans	-72.4	124.9	179.8	-179.5	0	0	0	0	111.6	K290 R291 F304 A305	C287-K290 HydrophobicContact CB-CB 4.04Å; C287-R291 VanDerWaalsContact O-CG 3.26Å; C287-R291 WeakPolarHBondContact O-CG 3.47Å; C287-R291 PolarHBondContact O-N 3.14Å; C287-F304 HydrophobicContact CB-CB 3.65Å; C287-A305 WeakPolarHBondContact CB-O 3.44Å; C287-A305 PolarHBondContact N-O 2.89Å
288	N	87.6	Confident	85.5	Confident	86 Å²	86	76.1 Å²	76.1	46%	0.46	39%	0.385	S	S	.	.	H	α-helix	trans	-72.7	-41.2	176.6	-74	-34	0	0	0	112.5	K290 R291 Q292	N288-K290 VanDerWaalsContact C-N 3.3Å; N288-K290 PolarHBondContact O-N 3.01Å; N288-R291 PolarHBondContact O-N 2.62Å; N288-R291 PolarHBondContact OD1-NH1 2.79Å; N288-R291 VanDerWaalsContact OD1-NH1 3.15Å; N288-Q292 PolarHBondContact O-N 2.82Å
289	D	84.4	Confident	85.1	Confident	51 Å²	51	77 Å²	77	27%	0.273	40%	0.396	S	S	.	.	H	α-helix	trans	-49	-52.8	176.3	-37.6	-3.2	0	0	0	110.6	R291 Q292 T293 Y295 C296 R298	D289-R291 PolarHBondContact O-N 3.39Å; D289-Q292 PolarHBondContact O-N 2.86Å; D289-T293 PolarHBondContact O-N 3.1Å; D289-T293 PolarHBondContact O-OG1 2.93Å; D289-Y295 CarbonylContact C-O 3.47Å; D289-C296 HydrophobicContact CB-CB 4.02Å; D289-C296 PolarHBondContact OD2-SG 3.12Å; D289-R298 IonicContact OD2-NE 3.58Å
290	K	83.7	Confident	84.6	Confident	67 Å²	67	76.4 Å²	76.4	29%	0.291	39%	0.392	S	S	.	.	H	α-helix	trans	-67.2	-31.9	-179.2	-177.8	64.2	-174.8	176.3	0	112.9	C287 N288 G294 Y295 C296 H306	C287-K290 HydrophobicContact CB-CB 4.04Å; N288-K290 VanDerWaalsContact C-N 3.3Å; N288-K290 PolarHBondContact O-N 3.01Å; K290-G294 VanDerWaalsContact CD-O 3.32Å; K290-G294 WeakPolarHBondContact CD-O 3.33Å; K290-G294 WeakPolarHBondContact CE-O 3.41Å; K290-G294 PolarHBondContact NZ-O 3.28Å; K290-G294 WeakPolarHBondContact O-CA 3.44Å; K290-G294 PolarHBondContact O-N 3.34Å; K290-Y295 VanDerWaalsContact CA-O 3.3Å; K290-Y295 WeakPolarHBondContact CA-O 3.49Å; K290-Y295 PolarHBondContact N-O 3.15Å; K290-C296 HydrophobicContact CB-CB 4.35Å; K290-H306 HydrophobicContact CG-CB 4.13Å
291	R	84.3	Confident	84.5	Confident	178 Å²	178	72.4 Å²	72.4	67%	0.672	37%	0.374	S	S	*	.	H	α-helix	trans	-74.9	-38.9	176.7	-76.6	176	69.7	-140.7	2.9	113.1	C287 N288 D289	C287-R291 VanDerWaalsContact O-CG 3.26Å; C287-R291 WeakPolarHBondContact O-CG 3.47Å; C287-R291 PolarHBondContact O-N 3.14Å; N288-R291 PolarHBondContact O-N 2.62Å; N288-R291 PolarHBondContact OD1-NH1 2.79Å; N288-R291 VanDerWaalsContact OD1-NH1 3.15Å; D289-R291 PolarHBondContact O-N 3.39Å
292	Q	78.8	Confident	84.4	Confident	158 Å²	158	69.6 Å²	69.6	74%	0.738	36%	0.359	S	S	*	.	H	α-helix	trans	-88.3	-34.2	-174.5	-71.2	176.6	-40.3	0	0	112.9	N288 D289	N288-Q292 PolarHBondContact O-N 2.82Å; D289-Q292 PolarHBondContact O-N 2.86Å
293	T	78.1	Confident	84.3	Confident	97 Å²	97	69.1 Å²	69.1	60%	0.595	36%	0.359	S	S	*	.	H	α-helix	trans	-116.5	-3.2	-172.2	72.8	0	0	0	0	114.2	D289 Y295	D289-T293 PolarHBondContact O-N 3.1Å; D289-T293 PolarHBondContact O-OG1 2.93Å; T293-Y295 PolarHBondContact O-N 2.81Å; T293-Y295 PolarHBondContact OG1-N 3.02Å; T293-Y295 PolarHBondContact OG1-O 3.19Å
294	G	78.5	Confident	84.4	Confident	47 Å²	47	69 Å²	69	49%	0.485	36%	0.359	S	S	.	.	S	Bend	trans	69.4	-7.5	-171.7	0	0	0	0	0	114.7	K290	K290-G294 VanDerWaalsContact CD-O 3.32Å; K290-G294 WeakPolarHBondContact CD-O 3.33Å; K290-G294 WeakPolarHBondContact CE-O 3.41Å; K290-G294 PolarHBondContact NZ-O 3.28Å; K290-G294 WeakPolarHBondContact O-CA 3.44Å; K290-G294 PolarHBondContact O-N 3.34Å
295	Y	80	Confident	84.4	Confident	139 Å²	139	66.3 Å²	66.3	55%	0.545	34%	0.341	S	S	.	.			trans	-125.8	160.3	-176.6	179.1	-105.2	0	0	0	110.8	D289 K290 T293 P297	D289-Y295 CarbonylContact C-O 3.47Å; K290-Y295 VanDerWaalsContact CA-O 3.3Å; K290-Y295 WeakPolarHBondContact CA-O 3.49Å; K290-Y295 PolarHBondContact N-O 3.15Å; T293-Y295 PolarHBondContact O-N 2.81Å; T293-Y295 PolarHBondContact OG1-N 3.02Å; T293-Y295 PolarHBondContact OG1-O 3.19Å; Y295-P297 HydrophobicContact CE1-CB 4.12Å
296	C	81.1	Confident	84.3	Confident	7 Å²	7	65.2 Å²	65.2	5%	0.047	33%	0.331	C	S	.	.			trans	-142	124.4	166.8	176.6	0	0	0	0	109.5	D289 K290 R298 G299 H306	D289-C296 HydrophobicContact CB-CB 4.02Å; D289-C296 PolarHBondContact OD2-SG 3.12Å; K290-C296 HydrophobicContact CB-CB 4.35Å; C296-R298 PolarHBondContact O-N 2.96Å; C296-G299 PolarHBondContact O-N 3.18Å; C296-G299 VanDerWaalsContact O-N 3.11Å; C296-H306 VanDerWaalsContact CB-NE2 3.26Å; C296-H306 WeakPolarHBondContact CB-NE2 3.41Å; C296-H306 PolarHBondContact SG-NE2 3.14Å
297	P	76.9	Confident	83.4	Confident	54 Å²	54	62.7 Å²	62.7	35%	0.351	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.5	-177	28.8	-36.2	0	0	0	113.7	Y220 Y295	Y220-P297 VanDerWaalsContact CE2-O 3.3Å; Y220-P297 WeakPolarHBondContact CE2-O 3.5Å; Y295-P297 HydrophobicContact CE1-CB 4.12Å
298	R	80.4	Confident	81.7	Confident	91 Å²	91	70.2 Å²	70.2	34%	0.343	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-15.8	176.3	-55.1	168.5	-171.1	-97.4	-0.9	113	Y220 D289 C296 F301 C302	Y220-R298 HydrophobicContact CD2-CB 4.39Å; Y220-R298 HydrophobicContact CD2-CG 4.3Å; Y220-R298 HydrophobicContact CE2-CG 4.48Å; D289-R298 IonicContact OD2-NE 3.58Å; C296-R298 PolarHBondContact O-N 2.96Å; R298-F301 CarbonylContact O-C 3.25Å; R298-F301 PolarHBondContact O-N 2.72Å; R298-F301 VanDerWaalsContact O-N 3.14Å; R298-C302 HydrophobicContact CB-CB 3.87Å
299	G	82.5	Confident	79.5	Confident	28 Å²	28	75.5 Å²	75.5	29%	0.289	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	54.8	-137.5	178	0	0	0	0	0	113.2	C296 F301 C302 H306	C296-G299 PolarHBondContact O-N 3.18Å; C296-G299 VanDerWaalsContact O-N 3.11Å; G299-F301 PolarHBondContact O-N 2.88Å; G299-C302 WeakPolarHBondContact O-CB 3.19Å; G299-C302 PolarHBondContact O-N 2.6Å; G299-H306 PolarHBondContact O-CE1 3.02Å; G299-H306 VanDerWaalsContact O-CE1 3.24Å
300	P	82.6	Confident	77.3	Confident	60 Å²	60	79.4 Å²	79.4	39%	0.39	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-60.8	-27.3	176.9	-21.6	32.9	0	0	0	114	W194 C302	W194-P300 WeakPolarHBondContact O-CB 3.34Å; P300-C302 PolarHBondContact O-N 2.86Å
301	F	87.2	Confident	75	Confident	18 Å²	18	79.8 Å²	79.8	8%	0.079	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-83.5	19.4	179.2	-46.9	-56.8	0	0	0	113.2	W194 Y204 Y220 P223 F277 R298 G299 A303	W194-F301 HydrophobicContact CB-CE1 4.31Å; W194-F301 HydrophobicContact CB-CZ 4.29Å; W194-F301 HydrophobicContact CD2-CE1 4.07Å; W194-F301 HydrophobicContact CD2-CZ 4.36Å; W194-F301 AromaticContact CE3-CE1 3.84Å; W194-F301 HydrophobicContact CE3-CE1 3.84Å; W194-F301 HydrophobicContact CG-CE1 4.29Å; W194-F301 HydrophobicContact CG-CZ 4.25Å; Y204-F301 AromaticContact CD2-CD1 3.47Å; Y204-F301 HydrophobicContact CD2-CD1 3.47Å; Y204-F301 VanDerWaalsContact CD2-CD1 3.47Å; Y204-F301 AromaticContact CD2-CE1 3.99Å; Y204-F301 HydrophobicContact CD2-CE1 3.99Å; Y204-F301 HydrophobicContact CD2-CG 4.16Å; Y204-F301 HydrophobicContact CE2-CB 3.8Å; Y204-F301 AromaticContact CE2-CD1 3.49Å; Y204-F301 HydrophobicContact CE2-CD1 3.49Å; Y204-F301 VanDerWaalsContact CE2-CD1 3.49Å; Y204-F301 HydrophobicContact CE2-CE1 4.26Å; Y204-F301 AromaticContact CE2-CG 3.68Å; Y204-F301 HydrophobicContact CE2-CG 3.68Å; Y204-F301 HydrophobicContact CG-CD1 4.48Å; Y220-F301 WeakPolarHBondContact O-CB 3.43Å; P223-F301 HydrophobicContact CB-CE1 4.43Å; P223-F301 HydrophobicContact CB-CZ 4.42Å; P223-F301 HydrophobicContact CG-CE1 4.26Å; P223-F301 HydrophobicContact CG-CE2 4.44Å; P223-F301 HydrophobicContact CG-CZ 3.78Å; F277-F301 WeakPolarHBondContact CZ-O 3.43Å; R298-F301 CarbonylContact O-C 3.25Å; R298-F301 PolarHBondContact O-N 2.72Å; R298-F301 VanDerWaalsContact O-N 3.14Å; G299-F301 PolarHBondContact O-N 2.88Å; F301-A303 PolarHBondContact O-N 2.93Å
302	C	88.6	Confident	72.8	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.381	C	S	.	.			trans	-73.6	123.3	166.5	-161.3	0	0	0	0	110.4	R298 G299 P300 F304 H306	R298-C302 HydrophobicContact CB-CB 3.87Å; G299-C302 WeakPolarHBondContact O-CB 3.19Å; G299-C302 PolarHBondContact O-N 2.6Å; P300-C302 PolarHBondContact O-N 2.86Å; C302-F304 PolarHBondContact O-N 3.19Å; C302-H306 VanDerWaalsContact CB-CE1 3.46Å; C302-H306 WeakPolarHBondContact CB-CE1 3.27Å; C302-H306 VanDerWaalsContact CB-NE2 3.28Å; C302-H306 WeakPolarHBondContact CB-NE2 3.46Å; C302-H306 PolarHBondContact SG-NE2 3.25Å
303	A	89.6	Confident	71.3	Confident	10 Å²	10	70 Å²	70	8%	0.083	38%	0.376	C	S	.	.	S	Bend	trans	-72.4	-12.8	172.5	0	0	0	0	0	113.3	Q276 F277 K283 F301	Q276-A303 HydrophobicContact CB-CB 3.97Å; F277-A303 HydrophobicContact CD2-CB 4.36Å; F277-A303 HydrophobicContact CE2-CB 3.88Å; F277-A303 HydrophobicContact CZ-CB 4.03Å; K283-A303 WeakPolarHBondContact CA-O 3.37Å; K283-A303 PolarHBondContact N-O 3.22Å; F301-A303 PolarHBondContact O-N 2.93Å
304	F	91.2	Very high	69.9	Low	65 Å²	65	71.1 Å²	71.1	29%	0.285	38%	0.375	S	S	.	.	S	Bend	trans	-98.7	152.8	179.8	-59	-72	0	0	0	110.9	T285 C287 C302 H306	T285-F304 CarbonylContact O-C 3.53Å; T285-F304 WeakPolarHBondContact O-CA 3.3Å; T285-F304 WeakPolarHBondContact O-CB 3.5Å; T285-F304 WeakPolarHBondContact OG1-CD1 3.32Å; C287-F304 HydrophobicContact CB-CB 3.65Å; C302-F304 PolarHBondContact O-N 3.19Å; F304-H306 PolarHBondContact O-N 2.94Å
305	A	88.4	Confident	68.5	Low	20 Å²	20	73.2 Å²	73.2	17%	0.165	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-67	115.8	177.5	0	0	0	0	0	110.8	K283 T285 C287 V307	K283-A305 HydrophobicContact CB-CB 4.11Å; K283-A305 WeakPolarHBondContact O-CB 3.39Å; T285-A305 PolarHBondContact O-N 2.78Å; C287-A305 WeakPolarHBondContact CB-O 3.44Å; C287-A305 PolarHBondContact N-O 2.89Å; A305-V307 PolarHBondContact O-N 3.23Å
306	H	87.3	Confident	67.1	Low	51 Å²	51	69.8 Å²	69.8	24%	0.236	37%	0.366	C	S	.	.			trans	-77.6	101.8	153.8	-61.7	165.7	0	0	0	106.7	K290 C296 G299 C302 F304 E308	K290-H306 HydrophobicContact CG-CB 4.13Å; C296-H306 VanDerWaalsContact CB-NE2 3.26Å; C296-H306 WeakPolarHBondContact CB-NE2 3.41Å; C296-H306 PolarHBondContact SG-NE2 3.14Å; G299-H306 PolarHBondContact O-CE1 3.02Å; G299-H306 VanDerWaalsContact O-CE1 3.24Å; C302-H306 VanDerWaalsContact CB-CE1 3.46Å; C302-H306 WeakPolarHBondContact CB-CE1 3.27Å; C302-H306 VanDerWaalsContact CB-NE2 3.28Å; C302-H306 WeakPolarHBondContact CB-NE2 3.46Å; C302-H306 PolarHBondContact SG-NE2 3.25Å; F304-H306 PolarHBondContact O-N 2.94Å; H306-E308 PolarHBondContact O-N 3.27Å
307	V	70.2	Confident	65.6	Low	88 Å²	88	74.5 Å²	74.5	53%	0.533	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-72.8	116.6	159.9	-176.2	0	0	0	0	105.1	K286 A305	K286-V307 HydrophobicContact CD-CG2 4.23Å; K286-V307 HydrophobicContact CG-CG2 4.24Å; A305-V307 PolarHBondContact O-N 3.23Å
308	E	55.2	Low	64.5	Low	159 Å²	159	76.7 Å²	76.7	74%	0.743	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-68.2	135	166.7	-71.8	-179.4	145.4	0	0	107.8	H306 I310	H306-E308 PolarHBondContact O-N 3.27Å; E308-I310 PolarHBondContact O-N 2.81Å
309	R	40.1	Very low	63	Low	197 Å²	197	76.3 Å²	76.3	74%	0.743	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-58.1	122.1	162.5	175.5	-179.6	175.8	91.9	-2.4	104.9	P311	R309-P311 WeakPolarHBondContact O-CD 3.27Å
310	I	37.8	Very low	61.5	Low	134 Å²	134	79.8 Å²	79.8	69%	0.687	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-52.1	118.5	171.3	-58.4	170.2	0	0	0	105.2	E308 S312	E308-I310 PolarHBondContact O-N 2.81Å; I310-S312 PolarHBondContact O-N 3.3Å
311	P	35.4	Very low	60	Low	75 Å²	75	81 Å²	81	49%	0.487	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-59.3	132.5	-177.9	24.5	-33	0	0	0	107.5	R309 E315	R309-P311 WeakPolarHBondContact O-CD 3.27Å; P311-E315 VanDerWaalsContact CA-OE2 3.31Å; P311-E315 WeakPolarHBondContact CA-OE2 3.39Å; P311-E315 HydrophobicContact CB-CB 4.44Å
312	S	39.6	Very low	58.4	Low	25 Å²	25	83.9 Å²	83.9	18%	0.175	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-63.1	155.8	176.4	62.4	0	0	0	0	109.2	I310 E314 E315 T316	I310-S312 PolarHBondContact O-N 3.3Å; S312-E314 PolarHBondContact O-N 3.2Å; S312-E314 VanDerWaalsContact O-N 3.15Å; S312-E315 PolarHBondContact N-OE2 2.78Å; S312-E315 PolarHBondContact O-N 2.79Å; S312-E315 PolarHBondContact OG-N 2.78Å; S312-T316 PolarHBondContact O-N 3.05Å; S312-T316 VanDerWaalsContact O-N 3.12Å; S312-T316 PolarHBondContact O-OG1 2.97Å
313	T	46.7	Very low	56.3	Low	104 Å²	104	86.8 Å²	86.8	64%	0.638	47%	0.469	S	S	*	.	H	α-helix	trans	-55	-31.8	172.9	45.6	0	0	0	0	110.6	T316 M317	T313-T316 PolarHBondContact O-N 3.19Å; T313-M317 WeakPolarHBondContact O-CB 3.46Å; T313-M317 WeakPolarHBondContact O-CE 3.44Å; T313-M317 WeakPolarHBondContact O-CG 3.35Å; T313-M317 PolarHBondContact O-N 3.1Å
314	E	48.8	Very low	54.3	Low	121 Å²	121	91.2 Å²	91.2	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-61.2	-48	171.6	-51.6	140.8	-120.6	0	0	113.2	S312 T316 M317 N318	S312-E314 PolarHBondContact O-N 3.2Å; S312-E314 VanDerWaalsContact O-N 3.15Å; E314-T316 VanDerWaalsContact C-N 3.29Å; E314-T316 PolarHBondContact O-N 2.9Å; E314-M317 PolarHBondContact O-N 2.89Å; E314-N318 WeakPolarHBondContact O-CB 3.36Å; E314-N318 PolarHBondContact O-N 3.32Å; E314-N318 PolarHBondContact O-ND2 3.46Å
315	E	48.7	Very low	52	Low	91 Å²	91	94.4 Å²	94.4	43%	0.425	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-35.1	179	-71.6	170.5	149.3	0	0	111.6	P311 S312 S319	P311-E315 VanDerWaalsContact CA-OE2 3.31Å; P311-E315 WeakPolarHBondContact CA-OE2 3.39Å; P311-E315 HydrophobicContact CB-CB 4.44Å; S312-E315 PolarHBondContact N-OE2 2.78Å; S312-E315 PolarHBondContact O-N 2.79Å; S312-E315 PolarHBondContact OG-N 2.78Å; E315-S319 WeakPolarHBondContact O-CB 3.37Å; E315-S319 PolarHBondContact O-N 3.3Å; E315-S319 VanDerWaalsContact O-N 3.12Å; E315-S319 PolarHBondContact O-OG 3.19Å
316	T	51.1	Low	49.6	Very low	68 Å²	68	98.4 Å²	98.4	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-68.1	-45.1	174.5	-53.3	0	0	0	0	111.3	S312 T313 E314 S319 L320	S312-T316 PolarHBondContact O-N 3.05Å; S312-T316 VanDerWaalsContact O-N 3.12Å; S312-T316 PolarHBondContact O-OG1 2.97Å; T313-T316 PolarHBondContact O-N 3.19Å; E314-T316 VanDerWaalsContact C-N 3.29Å; E314-T316 PolarHBondContact O-N 2.9Å; T316-S319 PolarHBondContact O-N 3.35Å; T316-L320 PolarHBondContact O-N 3.27Å; T316-L320 VanDerWaalsContact O-N 3.14Å
317	M	49.4	Very low	47.1	Very low	105 Å²	105	100.9 Å²	100.9	52%	0.517	56%	0.555	S	S	.	*	H	α-helix	trans	-65.6	-42.6	175.6	-75.8	-174.4	-73	0	0	112.2	T313 E314 S319 L320 L321	T313-M317 WeakPolarHBondContact O-CB 3.46Å; T313-M317 WeakPolarHBondContact O-CE 3.44Å; T313-M317 WeakPolarHBondContact O-CG 3.35Å; T313-M317 PolarHBondContact O-N 3.1Å; E314-M317 PolarHBondContact O-N 2.89Å; M317-S319 VanDerWaalsContact C-N 3.27Å; M317-S319 PolarHBondContact O-N 2.74Å; M317-L320 PolarHBondContact O-N 2.64Å; M317-L320 VanDerWaalsContact O-N 3.12Å; M317-L321 HydrophobicContact CB-CD1 4.5Å; M317-L321 WeakPolarHBondContact O-CD1 3.28Å; M317-L321 PolarHBondContact O-N 3.19Å
318	N	53	Low	45.5	Very low	100 Å²	100	101 Å²	101	54%	0.535	56%	0.56	S	S	.	*	H	α-helix	trans	-62.3	-34.4	176.8	-78.1	-49.9	0	0	0	112.6	E314 S322	E314-N318 WeakPolarHBondContact O-CB 3.36Å; E314-N318 PolarHBondContact O-N 3.32Å; E314-N318 PolarHBondContact O-ND2 3.46Å; N318-S322 WeakPolarHBondContact O-CB 3.38Å; N318-S322 PolarHBondContact O-N 2.86Å; N318-S322 PolarHBondContact O-OG 3.11Å
319	S	50.5	Low	44.5	Very low	83 Å²	83	102.6 Å²	102.6	58%	0.58	57%	0.568	S	S	*	*	H	α-helix	trans	-66.8	-40.8	173.5	-58.1	0	0	0	0	111.9	E315 T316 M317 A323	E315-S319 WeakPolarHBondContact O-CB 3.37Å; E315-S319 PolarHBondContact O-N 3.3Å; E315-S319 VanDerWaalsContact O-N 3.12Å; E315-S319 PolarHBondContact O-OG 3.19Å; T316-S319 PolarHBondContact O-N 3.35Å; M317-S319 VanDerWaalsContact C-N 3.27Å; M317-S319 PolarHBondContact O-N 2.74Å; S319-A323 PolarHBondContact O-N 2.97Å
320	L	51.3	Low	44	Very low	102 Å²	102	98.5 Å²	98.5	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-68.3	-45	174.8	-80.4	160.9	0	0	0	112.5	T316 M317 S322 A323 I324	T316-L320 PolarHBondContact O-N 3.27Å; T316-L320 VanDerWaalsContact O-N 3.14Å; M317-L320 PolarHBondContact O-N 2.64Å; M317-L320 VanDerWaalsContact O-N 3.12Å; L320-S322 VanDerWaalsContact C-N 3.3Å; L320-S322 PolarHBondContact O-N 3.08Å; L320-A323 PolarHBondContact O-N 2.86Å; L320-I324 VanDerWaalsContact O-CG1 3.31Å; L320-I324 WeakPolarHBondContact O-CG1 3.35Å; L320-I324 PolarHBondContact O-N 2.87Å
321	L	50.3	Low	43.7	Very low	86 Å²	86	100.6 Å²	100.6	45%	0.45	58%	0.576	S	S	.	*	H	α-helix	trans	-59.6	-40.8	175	-92.1	81.6	0	0	0	111.4	M317 A323 I324 H325	M317-L321 HydrophobicContact CB-CD1 4.5Å; M317-L321 WeakPolarHBondContact O-CD1 3.28Å; M317-L321 PolarHBondContact O-N 3.19Å; L321-A323 VanDerWaalsContact C-N 3.31Å; L321-A323 PolarHBondContact O-N 3.48Å; L321-I324 PolarHBondContact O-N 3.25Å; L321-H325 WeakPolarHBondContact O-CB 3.42Å; L321-H325 PolarHBondContact O-CD2 2.8Å; L321-H325 PolarHBondContact O-N 2.82Å
322	S	52.7	Low	43.3	Very low	77 Å²	77	105.9 Å²	105.9	54%	0.538	60%	0.599	S	S	.	*	H	α-helix	trans	-62.3	-37.3	177.7	-59.8	0	0	0	0	112.7	N318 L320 S326	N318-S322 WeakPolarHBondContact O-CB 3.38Å; N318-S322 PolarHBondContact O-N 2.86Å; N318-S322 PolarHBondContact O-OG 3.11Å; L320-S322 VanDerWaalsContact C-N 3.3Å; L320-S322 PolarHBondContact O-N 3.08Å; S322-S326 PolarHBondContact O-OG 2.85Å
323	A	45.5	Very low	42.5	Very low	62 Å²	62	108.1 Å²	108.1	51%	0.512	63%	0.627	S	S	.	*	H	α-helix	trans	-69.2	-40.5	173.7	0	0	0	0	0	112.2	S319 L320 L321	S319-A323 PolarHBondContact O-N 2.97Å; L320-A323 PolarHBondContact O-N 2.86Å; L321-A323 VanDerWaalsContact C-N 3.31Å; L321-A323 PolarHBondContact O-N 3.48Å
324	I	47.3	Very low	41.6	Very low	102 Å²	102	108.7 Å²	108.7	52%	0.523	63%	0.634	S	S	.	*	H	α-helix	trans	-68.6	-47.2	179.7	-67.8	163.3	0	0	0	111.3	L320 L321 S326 S327	L320-I324 VanDerWaalsContact O-CG1 3.31Å; L320-I324 WeakPolarHBondContact O-CG1 3.35Å; L320-I324 PolarHBondContact O-N 2.87Å; L321-I324 PolarHBondContact O-N 3.25Å; I324-S326 PolarHBondContact O-N 2.88Å; I324-S326 VanDerWaalsContact O-N 3.15Å; I324-S327 VanDerWaalsContact O-CB 3.32Å; I324-S327 WeakPolarHBondContact O-CB 3.49Å; I324-S327 PolarHBondContact O-N 3.3Å
325	H	42.8	Very low	40.6	Very low	133 Å²	133	110.2 Å²	110.2	62%	0.616	64%	0.642	S	S	*	*	H	α-helix	trans	-62.6	-23.9	-178.8	-80.3	-127.4	0	0	0	113.4	L321 S327	L321-H325 WeakPolarHBondContact O-CB 3.42Å; L321-H325 PolarHBondContact O-CD2 2.8Å; L321-H325 PolarHBondContact O-N 2.82Å; H325-S327 PolarHBondContact O-N 3.04Å
326	S	37.9	Very low	39.4	Very low	104 Å²	104	112.8 Å²	112.8	73%	0.727	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-10.4	174.5	-59	0	0	0	0	113.5	S322 I324	S322-S326 PolarHBondContact O-OG 2.85Å; I324-S326 PolarHBondContact O-N 2.88Å; I324-S326 VanDerWaalsContact O-N 3.15Å
327	S	35.3	Very low	38.1	Very low	102 Å²	102	118.3 Å²	118.3	71%	0.713	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-0.8	-175.8	-53.5	0	0	0	0	114.2	I324 H325	I324-S327 VanDerWaalsContact O-CB 3.32Å; I324-S327 WeakPolarHBondContact O-CB 3.49Å; I324-S327 PolarHBondContact O-N 3.3Å; H325-S327 PolarHBondContact O-N 3.04Å
328	S	36.8	Very low	36.9	Very low	91 Å²	91	117 Å²	117	64%	0.636	67%	0.674	S	S	*	*			trans	-121	22.3	-160.9	-53	0	0	0	0	115.7
329	Q	33.5	Very low	35.4	Very low	193 Å²	193	120.4 Å²	120.4	90%	0.902	69%	0.686	S	S	*	*			trans	-129.3	65.9	177.9	-72.9	-160.5	-9.7	0	0	114.6
330	S	28.9	Very low	34.4	Very low	110 Å²	110	122.3 Å²	122.3	77%	0.769	70%	0.698	S	S	*	*			trans	-159.9	88.8	154.1	60.2	0	0	0	0	112.5
331	Q	32.8	Very low	33.5	Very low	179 Å²	179	122.9 Å²	122.9	84%	0.836	71%	0.708	S	S	*	*			trans	177.9	101.3	150.4	-93.5	-99.2	-1.3	0	0	110.3
332	L	25.9	Very low	32.3	Very low	185 Å²	185	125.6 Å²	125.6	97%	0.969	72%	0.721	S	S	*	*			trans	-161.6	117.2	135.6	-139	71.5	0	0	0	110.5
333	G	23.6	Very low	30.9	Very low	73 Å²	73	127.4 Å²	127.4	75%	0.753	73%	0.734	S	S	*	*			trans	179.3	129.4	-179.7	0	0	0	0	0	107.2
334	S	28.2	Very low	29.8	Very low	115 Å²	115	131 Å²	131	80%	0.804	74%	0.741	S	S	*	*			trans	-126.4	156.9	-147.1	-164	0	0	0	0	115.5
335	Q	26.7	Very low	28.8	Very low	154 Å²	154	136.3 Å²	136.3	72%	0.72	75%	0.754	S	S	*	*			trans	94	129.1	157.3	-56.6	-148.3	20	0	0	121.8
336	Q	24.6	Very low	28	Very low	145 Å²	145	136.3 Å²	136.3	68%	0.678	76%	0.759	S	S	*	*			trans	83.6	122.7	133.7	-83.5	-176.7	2.9	0	0	123.3
337	F	23.3	Very low	27.4	Very low	183 Å²	183	136.8 Å²	136.8	80%	0.803	76%	0.762	S	S	*	*			trans	58.5	154.6	147.8	-70	-66.5	0	0	0	119.1
338	S	23.8	Very low	26.9	Very low	79 Å²	79	135.6 Å²	135.6	55%	0.552	77%	0.766	S	S	*	*			cis	-152.7	173.9	-21	-160.2	0	0	0	0	109
339	E	21.6	Very low	26.4	Very low	171 Å²	171	136.1 Å²	136.1	80%	0.799	78%	0.776	S	S	*	*			trans	38.6	126.3	155.9	-76.9	144.7	106.4	0	0	122.4
340	C	28.8	Very low	26.3	Very low	123 Å²	123	135.3 Å²	135.3	83%	0.831	77%	0.772	S	S	*	*			trans	-78.9	156.1	145.5	-60.7	0	0	0	0	109.6
341	P	34.2	Very low	26.9	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	77%	0.771	S	S	*	*				-149.8	150.4	110.2	34.4	-16.9	0	0	0	117.6
342	I	23.3	Very low	26.6	Very low	143 Å²	143	132.1 Å²	132.1	73%	0.733	77%	0.766	S	S	*	*			trans	48.8	116.3	136.7	-55	-66.6	0	0	0	120.1
343	S	24.6	Very low	26.8	Very low	116 Å²	116	128.9 Å²	128.9	81%	0.811	75%	0.754	S	S	*	*				164.1	167.7	112.4	46.8	0	0	0	0	112.5
344	E	22.1	Very low	27.1	Very low	138 Å²	138	132.6 Å²	132.6	65%	0.645	76%	0.757	S	S	*	*				-160.9	161.3	-65.4	-144.2	-176.4	144.6	0	0	107.8
345	W	26.3	Very low	27	Very low	213 Å²	213	131.1 Å²	131.1	81%	0.807	75%	0.751	S	S	*	*			trans	66.7	155.5	159.4	-73.2	1.8	0	0	0	120.8
346	N	25.4	Very low	27	Very low	133 Å²	133	129.7 Å²	129.7	71%	0.711	75%	0.753	S	S	*	*			cis	-167	173.5	-32.7	-149.3	-22.1	0	0	0	110.3
347	S	25.8	Very low	27.2	Very low	113 Å²	113	128.1 Å²	128.1	79%	0.79	76%	0.759	S	S	*	*			trans	75.9	139.2	170.2	-32.7	0	0	0	0	115.4
348	G	25.2	Very low	27.5	Very low	78 Å²	78	124.7 Å²	124.7	80%	0.804	76%	0.757	S	S	*	*			cis	131.5	144.6	3.9	0	0	0	0	0	110.5
349	A	25.6	Very low	27.7	Very low	101 Å²	101	128.2 Å²	128.2	84%	0.835	77%	0.77	S	S	*	*			cis	-159	172.9	-3.9	0	0	0	0	0	110.7
350	H	31.7	Very low	28.1	Very low	177 Å²	177	122.9 Å²	122.9	82%	0.819	76%	0.761	S	S	*	*			trans	-84.2	167.1	167.8	-50.8	-91.1	0	0	0	111
351	P	41.6	Very low	28.1	Very low	117 Å²	117	125.8 Å²	125.8	76%	0.76	76%	0.762	S	S	*	*				-125.6	165.6	67.9	6.2	19.2	0	0	0	113.7
352	S	27	Very low	27.9	Very low	104 Å²	104	127 Å²	127	73%	0.727	77%	0.767	S	S	*	*				73	141.4	53.6	-35.9	0	0	0	0	113
353	T	29.9	Very low	28.1	Very low	117 Å²	117	123.3 Å²	123.3	72%	0.718	77%	0.765	S	S	*	*			cis	-157.2	159.7	24	43.7	0	0	0	0	114.1
354	N	28.5	Very low	28.2	Very low	152 Å²	152	126.1 Å²	126.1	81%	0.813	77%	0.765	S	S	*	*			trans	52.2	158.7	134.8	-61.3	5.6	0	0	0	123.7
355	A	26.7	Very low	28.4	Very low	83 Å²	83	125.5 Å²	125.5	69%	0.686	77%	0.77	S	S	*	*			cis	-173.9	163.2	-23.4	0	0	0	0	0	113.9
356	T	26.5	Very low	28.4	Very low	125 Å²	125	119.8 Å²	119.8	77%	0.767	76%	0.762	S	S	*	*			trans	75.2	122	144.6	-58.9	0	0	0	0	123.8
357	S	29.7	Very low	28.4	Very low	112 Å²	112	119 Å²	119	78%	0.783	77%	0.766	S	S	*	*			trans	62.9	152.7	153.6	-68.3	0	0	0	0	119.8
358	S	28.9	Very low	28.5	Very low	111 Å²	111	118.9 Å²	118.9	78%	0.776	77%	0.765	S	S	*	*			cis	-162.1	-165.1	-12.1	50.8	0	0	0	0	107.3
359	N	28.4	Very low	28.6	Very low	153 Å²	153	119.9 Å²	119.9	82%	0.818	76%	0.76	S	S	*	*			cis	-161.3	174.8	9.9	-166	13.7	0	0	0	110.7
360	G	29.4	Very low	28.7	Very low	59 Å²	59	122.3 Å²	122.3	61%	0.608	76%	0.759	S	S	*	*			trans	90.5	121.1	175.5	0	0	0	0	0	113.1
361	Q	28.7	Very low	28.5	Very low	184 Å²	184	118.1 Å²	118.1	86%	0.86	75%	0.749	S	S	*	*			cis	60.8	130	38.1	-74.4	-176.1	-17.8	0	0	113.7
362	V	30.3	Very low	27.8	Very low	138 Å²	138	118.6 Å²	118.6	84%	0.836	75%	0.75	S	S	*	*			cis	-146.5	160.7	20.6	-133	0	0	0	0	114.3
363	G	27.9	Very low	27.9	Very low	66 Å²	66	120.1 Å²	120.1	68%	0.68	76%	0.755	S	S	*	*			trans	40.2	131	148.8	0	0	0	0	0	122.1
364	H	25.6	Very low	27.7	Very low	175 Å²	175	120.7 Å²	120.7	81%	0.81	76%	0.758	S	S	*	*			cis	61.5	131.3	45.1	-138.2	-126.6	0	0	0	112
365	V	27.8	Very low	28.4	Very low	124 Å²	124	118.5 Å²	118.5	75%	0.752	75%	0.753	S	S	*	*			cis	-145.3	-161.3	32.7	-150.1	0	0	0	0	112.7
366	S	26	Very low	28.4	Very low	94 Å²	94	119.4 Å²	119.4	66%	0.657	75%	0.754	S	S	*	*			trans	-115.8	162.6	-158	-48.9	0	0	0	0	117.5
367	C	25.4	Very low	28.5	Very low	116 Å²	116	119.2 Å²	119.2	78%	0.784	76%	0.758	S	S	*	*			trans	72.5	156.4	137.5	77	0	0	0	0	124.9
368	S	26.7	Very low	28.3	Very low	110 Å²	110	117.3 Å²	117.3	77%	0.769	76%	0.755	S	S	*	*			trans	89.2	144.3	166.7	-45.9	0	0	0	0	117.2
369	S	28.4	Very low	28.2	Very low	99 Å²	99	116.9 Å²	116.9	69%	0.692	75%	0.752	S	S	*	*			cis	-170.3	154.7	-12.1	43.4	0	0	0	0	113
370	N	27.9	Very low	28	Very low	153 Å²	153	116.8 Å²	116.8	82%	0.818	75%	0.752	S	S	*	*			trans	60.6	162.6	156.8	-71.2	19.3	0	0	0	120.5
371	S	27.3	Very low	27.9	Very low	89 Å²	89	118.2 Å²	118.2	62%	0.622	75%	0.752	S	S	*	*			cis	-172.6	168.3	-28.2	-88.6	0	0	0	0	111.5
372	T	27.1	Very low	27.9	Very low	127 Å²	127	117.1 Å²	117.1	78%	0.779	75%	0.752	S	S	*	*			trans	100.1	145.3	144.9	-17.1	0	0	0	0	121.6
373	V	29.6	Very low	27.8	Very low	136 Å²	136	118.6 Å²	118.6	82%	0.824	75%	0.754	S	S	*	*			trans	70.6	141.4	159.9	-92.7	0	0	0	0	124.4
374	T	26	Very low	27.9	Very low	128 Å²	128	120.6 Å²	120.6	79%	0.785	76%	0.757	S	S	*	*			trans	-113.6	-169.2	167	56.7	0	0	0	0	107.7
375	P	41.6	Very low	29	Very low	107 Å²	107	118.1 Å²	118.1	70%	0.695	76%	0.757	S	S	*	*			cis	-143.7	-171.3	3.7	44.8	-24.9	0	0	0	117.4
376	S	26.6	Very low	29.1	Very low	101 Å²	101	118.6 Å²	118.6	71%	0.706	76%	0.76	S	S	*	*			trans	79.2	115.8	142.1	-67.2	0	0	0	0	123.8
377	S	28.7	Very low	29.1	Very low	122 Å²	122	117.1 Å²	117.1	85%	0.853	76%	0.759	S	S	*	*				84.6	134.1	121.1	-61.1	0	0	0	0	123.2
378	G	26.1	Very low	29.5	Very low	71 Å²	71	116.7 Å²	116.7	73%	0.732	76%	0.757	S	S	*	*			trans	90.7	149.1	161	0	0	0	0	0	115.2
379	S	27.1	Very low	29.6	Very low	102 Å²	102	119.2 Å²	119.2	71%	0.713	76%	0.761	S	S	*	*			cis	175.9	144.2	-25.3	35.2	0	0	0	0	106.9
380	D	24.3	Very low	29.6	Very low	151 Å²	151	119.4 Å²	119.4	81%	0.807	76%	0.762	S	S	*	*			trans	63.6	163.7	167.3	-71.5	-65.5	0	0	0	118
381	S	26.8	Very low	29.8	Very low	89 Å²	89	123.5 Å²	123.5	62%	0.622	77%	0.766	S	S	*	*			cis	-166.2	148.5	-40.4	-103.8	0	0	0	0	109.6
382	L	28.2	Very low	30.8	Very low	161 Å²	161	124.2 Å²	124.2	84%	0.843	77%	0.769	S	S	*	*			trans	56.2	128.9	160	-60.1	170.1	0	0	0	120.1
383	L	28.1	Very low	31.1	Very low	170 Å²	170	125 Å²	125	89%	0.89	77%	0.767	S	S	*	*				-148	144	124.9	-86.5	-165.9	0	0	0	111.4
384	S	30.7	Very low	31.7	Very low	107 Å²	107	124.6 Å²	124.6	75%	0.748	77%	0.767	S	S	*	*			trans	-154.5	158.5	169.4	-57	0	0	0	0	107.2
385	P	48.7	Very low	31.9	Very low	124 Å²	124	126 Å²	126	81%	0.805	77%	0.768	S	S	*	*				-143.9	-178.9	89.4	37.1	-18.4	0	0	0	112
386	V	29.5	Very low	31.2	Very low	134 Å²	134	127.7 Å²	127.7	81%	0.812	78%	0.777	S	S	*	*			cis	-141.5	162.8	22.7	-172	0	0	0	0	106.6
387	G	27.5	Very low	31.2	Very low	62 Å²	62	130.4 Å²	130.4	64%	0.639	78%	0.784	S	S	*	*			cis	106.1	153.5	19.5	0	0	0	0	0	111
388	S	33.1	Very low	31.1	Very low	107 Å²	107	129.4 Å²	129.4	75%	0.748	78%	0.783	S	S	*	*			cis	-167.7	179.1	-4.9	-75.3	0	0	0	0	109.7
389	I	28.5	Very low	31.1	Very low	163 Å²	163	131 Å²	131	84%	0.836	78%	0.783	S	S	*	*			trans	77.8	136.9	167.1	-50.1	175.6	0	0	0	116.5
390	S	27.6	Very low	31.1	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	79%	0.789	S	S	*	*			cis	-174.8	123.2	-36.1	-95.7	0	0	0	0	112.5
391	R	34	Very low	31.1	Very low	239 Å²	239	131.9 Å²	131.9	90%	0.902	79%	0.786	S	S	*	*			trans	48.1	173.4	140.6	-98.1	-170.5	162.2	-140.8	-2.4	122.4
392	P	46.2	Very low	31	Very low	104 Å²	104	133.6 Å²	133.6	68%	0.675	80%	0.798	S	S	*	*			cis	-132.7	-173.7	-27.6	38.2	-19.8	0	0	0	114.9
393	I	35.1	Very low	30.8	Very low	144 Å²	144	134.7 Å²	134.7	74%	0.738	80%	0.799	S	S	*	*			trans	-97.8	169.2	172.9	-45.8	159.4	0	0	0	110.6
394	P	42.1	Very low	30.8	Very low	127 Å²	127	132.2 Å²	132.2	83%	0.825	80%	0.796	S	S	*	*				-135	164.5	128.3	38.9	-29.5	0	0	0	115.8
395	L	29.7	Very low	30.7	Very low	156 Å²	156	130.7 Å²	130.7	82%	0.817	79%	0.79	S	S	*	*			trans	-122.1	153.6	-176.7	-71.6	154	0	0	0	111.1
396	T	26.2	Very low	29.6	Very low	144 Å²	144	131.5 Å²	131.5	88%	0.883	79%	0.793	S	S	*	*			trans	-150.6	162.6	156.8	35.7	0	0	0	0	111.9
397	N	27	Very low	29.4	Very low	157 Å²	157	130.9 Å²	130.9	84%	0.84	79%	0.794	S	S	*	*			trans	-114.5	174.3	-165.1	-66.4	-34.4	0	0	0	114.4
398	A	26.1	Very low	29.4	Very low	101 Å²	101	132.8 Å²	132.8	84%	0.835	80%	0.798	S	S	*	*			trans	73.9	159.5	151.9	0	0	0	0	0	118.6
399	S	26.3	Very low	29	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	80%	0.804	S	S	*	*			cis	-172.1	169.2	-29.4	-168.9	0	0	0	0	109.9
400	L	27.4	Very low	28.9	Very low	161 Å²	161	136.3 Å²	136.3	84%	0.843	81%	0.806	S	S	*	*			trans	74.2	163.4	161.9	-73.7	165.6	0	0	0	120.9
401	C	24.7	Very low	29.8	Very low	110 Å²	110	136.3 Å²	136.3	74%	0.743	80%	0.804	S	S	*	*			trans	-90.5	165.9	-159.2	-39.1	0	0	0	0	115.1
402	S	25.5	Very low	29.4	Very low	125 Å²	125	132.8 Å²	132.8	87%	0.874	80%	0.801	S	S	*	*				178.5	176	119.5	-77.3	0	0	0	0	113.4
403	E	23.9	Very low	28.4	Very low	184 Å²	184	133.3 Å²	133.3	86%	0.86	80%	0.803	S	S	*	*			trans	-97.3	-172.5	-165.7	-52.5	174.2	90.3	0	0	115.7
404	S	27.9	Very low	28.4	Very low	118 Å²	118	132.6 Å²	132.6	83%	0.825	81%	0.808	S	S	*	*			trans	91.5	147.3	156.8	-58.5	0	0	0	0	118.8
405	A	27.8	Very low	27.7	Very low	76 Å²	76	133.2 Å²	133.2	63%	0.628	80%	0.804	S	S	*	*			cis	-170.5	175.8	-19.4	0	0	0	0	0	110.8
406	T	26	Very low	27.4	Very low	141 Å²	141	133.9 Å²	133.9	87%	0.865	80%	0.797	S	S	*	*			trans	72.5	158	172.7	78.4	0	0	0	0	115.5
407	S	25.8	Very low	27.8	Very low	121 Å²	121	133 Å²	133	85%	0.846	79%	0.794	S	S	*	*			cis	-139.5	176.8	14	-168.5	0	0	0	0	113.5
408	S	26	Very low	28	Very low	102 Å²	102	133.3 Å²	133.3	71%	0.713	79%	0.788	S	S	*	*			trans	-123.5	143.6	-161	57.6	0	0	0	0	115.8
409	V	25.3	Very low	28.2	Very low	145 Å²	145	132.9 Å²	132.9	88%	0.879	78%	0.784	S	S	*	*			trans	-151	152.3	150.3	-146	0	0	0	0	111.6
410	F	25.3	Very low	28.4	Very low	199 Å²	199	134.1 Å²	134.1	87%	0.873	79%	0.79	S	S	*	*			trans	-148.6	176.9	174.7	-94.3	-68.6	0	0	0	107.6
411	P	46.9	Very low	28.5	Very low	104 Å²	104	130.3 Å²	130.3	68%	0.675	79%	0.789	S	S	*	*			cis	-122.3	-171.7	-3.4	39.7	-20.8	0	0	0	112.8
412	L	25.6	Very low	28.6	Very low	164 Å²	164	134.9 Å²	134.9	86%	0.859	80%	0.797	S	S	*	*				-165.6	158.7	87.4	-89.1	169.6	0	0	0	112
413	T	26.7	Very low	28.8	Very low	116 Å²	116	136.1 Å²	136.1	71%	0.712	79%	0.788	S	S	*	*			trans	-112.2	172.5	177	57.9	0	0	0	0	112
414	P	34.8	Very low	29.1	Very low	129 Å²	129	137.3 Å²	137.3	84%	0.838	79%	0.785	S	S	*	*				-139.3	-172.5	101.2	35.8	-20.2	0	0	0	114.9
415	N	26.8	Very low	29.2	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	79%	0.787	S	S	*	*			trans	-104	142	-154.1	-81.8	-25.7	0	0	0	116.7
416	Y	24.2	Very low	29.4	Very low	171 Å²	171	144.1 Å²	144.1	67%	0.671	80%	0.796	S	S	*	*				42.4	145.6	125.3	-94.2	-116.7	0	0	0	121.1	K418	Y416-K418 HydrophobicContact CE1-CB 4.15Å; Y416-K418 HydrophobicContact CE1-CD 4.14Å; Y416-K418 HydrophobicContact CE1-CG 4.05Å
417	P	34.4	Very low	29.5	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	79%	0.794	S	S	*	*				-137.4	155.6	56.1	37.2	-19.4	0	0	0	118.7
418	K	31	Very low	29.7	Very low	163 Å²	163	146.8 Å²	146.8	71%	0.709	79%	0.788	S	S	*	*			trans	-91.9	166.3	155.7	-70.6	178.9	177.4	172.3	0	108.4	Y416	Y416-K418 HydrophobicContact CE1-CB 4.15Å; Y416-K418 HydrophobicContact CE1-CD 4.14Å; Y416-K418 HydrophobicContact CE1-CG 4.05Å
419	A	28.8	Very low	29.8	Very low	92 Å²	92	151.4 Å²	151.4	76%	0.76	80%	0.795	S	S	*	*				178.8	-168.9	68.9	0	0	0	0	0	108.3
420	P	32.1	Very low	29.7	Very low	131 Å²	131	150.2 Å²	150.2	85%	0.851	79%	0.794	S	S	*	*			cis	-129.9	-179.9	-4.8	40.1	-23	0	0	0	114.5
421	G	27.8	Very low	29.8	Very low	80 Å²	80	150.7 Å²	150.7	83%	0.825	80%	0.796	S	S	*	*			trans	168.5	-23.7	163.3	0	0	0	0	0	122
422	F	27.4	Very low	28.7	Very low	206 Å²	206	149.6 Å²	149.6	90%	0.904	80%	0.803	S	S	*	*			trans	-150.3	99.2	-167.5	-169.8	-94.4	0	0	0	116.2
423	E	29.6	Very low	28.7	Very low	151 Å²	151	149.4 Å²	149.4	71%	0.706	80%	0.797	S	S	*	*			trans	-157.7	149.7	152.9	-54.9	-172.7	176.9	0	0	104.8
424	R	31.2	Very low	28.7	Very low	209 Å²	209	150.7 Å²	150.7	79%	0.789	80%	0.797	S	S	*	*			cis	-144.8	142.4	20.4	-71.3	-176.8	-173.2	99.2	18.2	108.7
425	E	30	Very low	28.4	Very low	184 Å²	184	149.2 Å²	149.2	86%	0.86	78%	0.782	S	S	*	*				80	129.8	80	-148.7	81	151.2	0	0	114.8
426	D	30.7	Very low	28.5	Very low	153 Å²	153	150.4 Å²	150.4	82%	0.818	78%	0.783	S	S	*	*			trans	-87.5	146.3	-174.3	-83.1	-69.5	0	0	0	115
427	Q	28	Very low	28.6	Very low	178 Å²	178	150.3 Å²	150.3	83%	0.832	79%	0.786	S	S	*	*			trans	-166.9	117	143.9	-114.6	166.6	89.6	0	0	117.2
428	I	30.4	Very low	28.3	Very low	141 Å²	141	151.2 Å²	151.2	72%	0.723	78%	0.783	S	S	*	*			trans	57.3	116.4	134.9	-60.3	176	0	0	0	121.7
429	K	28.1	Very low	28.1	Very low	198 Å²	198	151.7 Å²	151.7	86%	0.861	79%	0.79	S	S	*	*			trans	39	126.5	147.1	-63.4	174.7	177.9	173.5	0	121.1
430	S	24.7	Very low	28	Very low	121 Å²	121	153.5 Å²	153.5	85%	0.846	79%	0.787	S	S	*	*				177.7	167.4	105.4	-162.4	0	0	0	0	114.1
431	K	25.8	Very low	27.8	Very low	209 Å²	209	156.2 Å²	156.2	91%	0.909	79%	0.788	S	S	*	*			trans	-52.9	146.6	174.4	-75.2	171.8	166	178.7	0	114.6
432	G	24.9	Very low	27.9	Very low	80 Å²	80	157.9 Å²	157.9	83%	0.825	78%	0.778	S	S	*	*			trans	-167.8	148.7	163.3	0	0	0	0	0	111.8
433	H	24.5	Very low	28	Very low	160 Å²	160	156.4 Å²	156.4	74%	0.741	77%	0.771	S	S	*	*			trans	-145	137.1	-163.3	159.6	86.9	0	0	0	111.9
434	M	27	Very low	28.1	Very low	144 Å²	144	155.9 Å²	155.9	71%	0.709	77%	0.769	S	S	*	*			trans	66.6	153.5	163.9	-88.5	-176.7	170.4	0	0	118.3
435	D	28.2	Very low	28	Very low	98 Å²	98	151.3 Å²	151.3	52%	0.524	76%	0.764	S	S	.	*			cis	-158.4	165.3	-12.1	-142.2	-23.9	0	0	0	113.1
436	H	29.5	Very low	27.9	Very low	163 Å²	163	150 Å²	150	76%	0.755	76%	0.758	S	S	*	*			trans	59.1	161.8	155.5	-71.8	-36.2	0	0	0	119.4
437	K	27.6	Very low	27.8	Very low	169 Å²	169	149 Å²	149	74%	0.735	75%	0.753	S	S	*	*			cis	-157.8	142.1	5.6	-147.9	-178.1	177.6	179.4	0	112.2
438	L	26.6	Very low	27.7	Very low	145 Å²	145	146.1 Å²	146.1	76%	0.759	75%	0.747	S	S	*	*			trans	48.1	159.5	154.6	-97	64.4	0	0	0	119.9
439	M	27.7	Very low	27.6	Very low	174 Å²	174	145 Å²	145	86%	0.857	75%	0.747	S	S	*	*			cis	-141.5	177	13.7	-151.2	164.8	88.4	0	0	112.4
440	D	27.1	Very low	27.5	Very low	130 Å²	130	144 Å²	144	70%	0.695	74%	0.743	S	S	*	*			trans	-122.7	151.7	-163.5	173.9	26.2	0	0	0	112.9	D442	D440-D442 PolarHBondContact OD1-N 3.31Å; D440-D442 VanDerWaalsContact OD1-N 3.15Å
441	Q	27.6	Very low	27.6	Very low	187 Å²	187	143.2 Å²	143.2	87%	0.874	74%	0.737	S	S	*	*			trans	-161.8	81	150.6	-172	147	84.7	0	0	113.6
442	D	29.6	Very low	27.7	Very low	115 Å²	115	138.6 Å²	138.6	62%	0.615	73%	0.726	S	S	*	*				24.6	124.4	129.9	-152	-7.5	0	0	0	121.4	D440	D440-D442 PolarHBondContact OD1-N 3.31Å; D440-D442 VanDerWaalsContact OD1-N 3.15Å
443	K	28.7	Very low	28	Very low	176 Å²	176	137.9 Å²	137.9	77%	0.765	72%	0.719	S	S	*	*				-167.5	116.5	119.3	-109.9	-159.1	174.1	-165.7	0	116.4
444	Q	31.7	Very low	28.3	Very low	139 Å²	139	137.6 Å²	137.6	65%	0.65	72%	0.723	S	S	*	*				42.8	136.3	119.8	-71.7	-170.8	-25.6	0	0	122.3
445	T	29.1	Very low	29.3	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.693	72%	0.72	S	S	*	*			cis	-169.6	176.7	-16.1	-18.5	0	0	0	0	110.7
446	Q	28.7	Very low	29.4	Very low	158 Å²	158	138.9 Å²	138.9	74%	0.738	74%	0.737	S	S	*	*			trans	84.5	109.2	161.6	-52	-128.8	25.9	0	0	115.8
447	N	27.5	Very low	29.2	Very low	131 Å²	131	135.2 Å²	135.2	70%	0.701	74%	0.735	S	S	*	*				88.8	136.3	71.8	-73.9	-18.2	0	0	0	112
448	T	27.6	Very low	29.1	Very low	117 Å²	117	132.5 Å²	132.5	72%	0.718	74%	0.737	S	S	*	*			cis	-152.6	147.9	13	-13.7	0	0	0	0	112.6
449	V	27.1	Very low	29.1	Very low	117 Å²	117	129.7 Å²	129.7	71%	0.709	73%	0.73	S	S	*	*			trans	35.3	112.6	142.6	169.2	0	0	0	0	118.7
450	F	25.5	Very low	29	Very low	179 Å²	179	130.1 Å²	130.1	79%	0.785	73%	0.727	S	S	*	*				60.8	142.8	71.7	-74.3	-83	0	0	0	114.4	V452	F450-V452 HydrophobicContact CD1-CG2 3.92Å; F450-V452 HydrophobicContact CE1-CG2 4.18Å
451	S	28.1	Very low	28.9	Very low	104 Å²	104	130.3 Å²	130.3	73%	0.727	73%	0.733	S	S	*	*			cis	-130.4	151.8	18.9	-79.9	0	0	0	0	111.1
452	V	27.4	Very low	28.8	Very low	112 Å²	112	126.6 Å²	126.6	68%	0.679	73%	0.728	S	S	*	*				58.8	127	65.5	-178.5	0	0	0	0	111.4	F450	F450-V452 HydrophobicContact CD1-CG2 3.92Å; F450-V452 HydrophobicContact CE1-CG2 4.18Å
453	G	30.8	Very low	28.9	Very low	65 Å²	65	126.9 Å²	126.9	67%	0.67	74%	0.739	S	S	*	*			cis	122.3	140	19.6	0	0	0	0	0	107.6
454	N	31.2	Very low	29	Very low	153 Å²	153	126.6 Å²	126.6	82%	0.818	74%	0.744	S	S	*	*				170.2	-164.1	63.6	-122.6	0.6	0	0	0	107.1
455	P	48.4	Very low	28.9	Very low	100 Å²	100	126.2 Å²	126.2	65%	0.649	75%	0.751	S	S	*	*			cis	-135.4	163.5	-9.2	20.1	5.9	0	0	0	117.9
456	L	29.5	Very low	28.7	Very low	170 Å²	170	126 Å²	126	89%	0.89	76%	0.755	S	S	*	*			trans	57.9	116.1	138.1	-64.6	168.3	0	0	0	124.8
457	A	24.8	Very low	28.7	Very low	85 Å²	85	123.7 Å²	123.7	70%	0.702	76%	0.755	S	S	*	*				-176.3	133.3	122.1	0	0	0	0	0	107.7
458	S	26.2	Very low	28.6	Very low	113 Å²	113	124.9 Å²	124.9	79%	0.79	76%	0.761	S	S	*	*				62	131.7	50.4	78.9	0	0	0	0	113.8
459	S	26.5	Very low	28.5	Very low	86 Å²	86	123.7 Å²	123.7	60%	0.601	76%	0.763	S	S	*	*			cis	-163.3	172.2	-6.9	-142.7	0	0	0	0	112.7
460	F	25.5	Very low	28.4	Very low	183 Å²	183	123.4 Å²	123.4	80%	0.803	77%	0.766	S	S	*	*			trans	44.3	127.3	156.9	-53.7	-59	0	0	0	123.4
461	T	25.3	Very low	28.4	Very low	134 Å²	134	119.2 Å²	119.2	82%	0.822	76%	0.759	S	S	*	*				-157.3	122.9	126	36	0	0	0	0	107
462	S	26.1	Very low	28.2	Very low	108 Å²	108	122.8 Å²	122.8	76%	0.755	77%	0.768	S	S	*	*				83.8	97.9	52.3	-60.5	0	0	0	0	112.9
463	S	31.8	Very low	28.1	Very low	121 Å²	121	120.8 Å²	120.8	85%	0.846	77%	0.77	S	S	*	*			trans	-97.3	137.6	173	-51.4	0	0	0	0	110.8
464	I	30.2	Very low	27.9	Very low	171 Å²	171	122.7 Å²	122.7	88%	0.877	77%	0.773	S	S	*	*			trans	-134.9	151.3	167.3	-63.6	-175.6	0	0	0	109.1
465	T	29.4	Very low	27.5	Very low	131 Å²	131	122.1 Å²	122.1	80%	0.804	77%	0.771	S	S	*	*			trans	-108.5	153.5	-161.7	47.9	0	0	0	0	115
466	S	25.8	Very low	26.4	Very low	109 Å²	109	122.5 Å²	122.5	76%	0.762	78%	0.775	S	S	*	*			trans	-166.5	120.6	151	24.7	0	0	0	0	107.9
467	S	27.9	Very low	26.3	Very low	108 Å²	108	119.5 Å²	119.5	76%	0.755	77%	0.768	S	S	*	*				82.6	139.1	76.6	-63.3	0	0	0	0	112.9
468	L	25.9	Very low	26.5	Very low	157 Å²	157	120.9 Å²	120.9	82%	0.822	77%	0.773	S	S	*	*			cis	-167.4	144	-4.7	-113.6	170.5	0	0	0	109.9
469	A	25	Very low	26.9	Very low	92 Å²	92	121.8 Å²	121.8	76%	0.76	78%	0.776	S	S	*	*			trans	56.8	163.6	163.6	0	0	0	0	0	117.3
470	S	25.9	Very low	27.1	Very low	110 Å²	110	123.7 Å²	123.7	77%	0.769	78%	0.784	S	S	*	*			cis	-156.4	173.8	14.8	-67.2	0	0	0	0	108.6
471	S	24.9	Very low	27.2	Very low	92 Å²	92	121.8 Å²	121.8	64%	0.643	79%	0.788	S	S	*	*			cis	-179.3	135.7	-38.2	59.9	0	0	0	0	109.6
472	I	24.3	Very low	27.4	Very low	178 Å²	178	122.9 Å²	122.9	91%	0.913	79%	0.788	S	S	*	*			trans	56.7	148.4	155.6	65.5	173.8	0	0	0	122.5
473	G	25.3	Very low	27.7	Very low	70 Å²	70	123 Å²	123	72%	0.722	79%	0.788	S	S	*	*			trans	120.1	101.6	-179.5	0	0	0	0	0	111.7
474	S	25.6	Very low	27.5	Very low	105 Å²	105	124.3 Å²	124.3	73%	0.734	79%	0.792	S	S	*	*			cis	65.7	127	46.8	-73.7	0	0	0	0	114.4
475	D	23	Very low	27.7	Very low	142 Å²	142	124.8 Å²	124.8	76%	0.759	79%	0.793	S	S	*	*			cis	-156.4	171.8	0.7	-87.2	-32.9	0	0	0	112.8
476	S	25.8	Very low	27.8	Very low	107 Å²	107	126.1 Å²	126.1	75%	0.748	80%	0.795	S	S	*	*			trans	100.6	151.6	144.3	87.8	0	0	0	0	122
477	S	27.4	Very low	28.2	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	80%	0.797	S	S	*	*			trans	76.9	79.1	147.5	-49.4	0	0	0	0	120.2
478	S	29	Very low	28.6	Very low	115 Å²	115	129.9 Å²	129.9	80%	0.804	80%	0.802	S	S	*	*			trans	-75.1	158.8	144.8	-49.2	0	0	0	0	110.8
479	P	34.4	Very low	28.9	Very low	131 Å²	131	127.3 Å²	127.3	85%	0.851	80%	0.804	S	S	*	*				-136.8	157.3	118.1	38	-29.4	0	0	0	114.5
480	T	30.3	Very low	29.4	Very low	126 Å²	126	129.3 Å²	129.3	77%	0.773	81%	0.806	S	S	*	*			trans	-101.9	133.7	-179.7	-50.9	0	0	0	0	111.2
481	T	28.6	Very low	30	Very low	143 Å²	143	129.7 Å²	129.7	88%	0.877	81%	0.806	S	S	*	*			trans	-144.7	152.6	154.7	46	0	0	0	0	111.4
482	L	28.6	Very low	30.1	Very low	158 Å²	158	135.1 Å²	135.1	83%	0.827	82%	0.819	S	S	*	*			trans	-113.1	151.6	176.4	-81.1	166.5	0	0	0	110.6
483	S	32.3	Very low	30.6	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	82%	0.818	S	S	*	*			trans	47.6	118	150.2	-58.1	0	0	0	0	120.4
484	T	28	Very low	31	Very low	149 Å²	149	139.9 Å²	139.9	91%	0.914	82%	0.82	S	S	*	*			trans	-152.1	143.2	136.4	-77.9	0	0	0	0	109.7
485	M	33.3	Very low	31.3	Very low	182 Å²	182	138.3 Å²	138.3	90%	0.897	82%	0.82	S	S	*	*			trans	-112.2	138.1	-177.5	52.6	-168.6	158.6	0	0	110.3
486	N	31.9	Very low	31.8	Very low	158 Å²	158	136.3 Å²	136.3	85%	0.845	82%	0.817	S	S	*	*			trans	-106.5	120.6	-177.7	-173.8	3.9	0	0	0	111.4	K488	N486-K488 PolarHBondContact O-N 3.28Å
487	A	35.8	Very low	32.2	Very low	98 Å²	98	137.5 Å²	137.5	81%	0.81	82%	0.816	S	S	*	*			trans	-97.5	76.4	-173.3	0	0	0	0	0	112.6
488	K	36	Very low	32.5	Very low	199 Å²	199	138.4 Å²	138.4	87%	0.865	82%	0.817	S	S	*	*			trans	-157.5	70.4	168.1	-125.3	170.2	-173.3	176.6	0	115.2	N486	N486-K488 PolarHBondContact O-N 3.28Å
489	A	30.9	Very low	32.5	Very low	103 Å²	103	140 Å²	140	85%	0.851	82%	0.822	S	S	*	*			trans	-149.1	132.2	161.1	0	0	0	0	0	109.8
490	T	37	Very low	32.3	Very low	133 Å²	133	142.6 Å²	142.6	82%	0.816	82%	0.822	S	S	*	*			trans	-99	142.6	-177.7	41.2	0	0	0	0	112.2
491	P	36.6	Very low	32.6	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	82%	0.823	S	S	*	*			trans	-82	154.6	-179.9	34.4	-35.7	0	0	0	112.5
492	F	28.3	Very low	32.6	Very low	205 Å²	205	141.9 Å²	141.9	90%	0.899	82%	0.822	S	S	*	*			trans	-137.4	92.3	168.8	-114.2	-91.2	0	0	0	110.5
493	Y	34.2	Very low	32.7	Very low	230 Å²	230	142.5 Å²	142.5	90%	0.902	82%	0.824	S	S	*	*			trans	-148.2	125.5	167.4	-112.7	-70.7	0	0	0	107.9
494	P	33.8	Very low	32.5	Very low	119 Å²	119	140.2 Å²	140.2	77%	0.773	82%	0.818	S	S	*	*			trans	-93.2	132	170.8	33.4	-29.7	0	0	0	111.7
495	G	31.9	Very low	32.6	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	82%	0.817	S	S	*	*			trans	-90.4	-179.8	145.6	0	0	0	0	0	109.7
496	S	34.6	Very low	32.4	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	81%	0.814	S	S	*	*			cis	-166.2	-164.7	1.6	50.6	0	0	0	0	109.7
497	N	33.4	Very low	32.5	Very low	133 Å²	133	136.6 Å²	136.6	71%	0.711	82%	0.82	S	S	*	*			trans	100.3	97.6	162.3	-48.2	-14	0	0	0	114.7
498	T	32.9	Very low	32.2	Very low	125 Å²	125	137 Å²	137	77%	0.767	81%	0.808	S	S	*	*				73	115.6	75.2	62.7	0	0	0	0	116.1
499	V	29.5	Very low	32	Very low	150 Å²	150	135.8 Å²	135.8	91%	0.909	81%	0.811	S	S	*	*				-171.1	171	111.7	-86.8	0	0	0	0	110.4
500	E	31.3	Very low	31.9	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	80%	0.803	S	S	*	*			trans	-107.5	176.9	-171.6	-59.8	176	103.2	0	0	114.6
501	S	36.2	Very low	31.9	Very low	112 Å²	112	142.3 Å²	142.3	78%	0.783	81%	0.809	S	S	*	*			trans	76.1	132.8	165.9	-53.4	0	0	0	0	116.3
502	V	29.1	Very low	31.7	Very low	143 Å²	143	141 Å²	141	87%	0.867	80%	0.802	S	S	*	*				-153.4	165.2	58.2	154.9	0	0	0	0	112.1
503	I	30.1	Very low	31.7	Very low	170 Å²	170	138.1 Å²	138.1	87%	0.872	80%	0.796	S	S	*	*			trans	-88	140.4	-179.8	-64.5	159.4	0	0	0	112.4
504	G	27.8	Very low	31.5	Very low	62 Å²	62	135.1 Å²	135.1	64%	0.639	79%	0.794	S	S	*	*			trans	122.3	157.7	136.8	0	0	0	0	0	119.4
505	S	30.5	Very low	31.2	Very low	128 Å²	128	136 Å²	136	90%	0.895	79%	0.793	S	S	*	*			trans	65.2	96.8	159.4	-56.9	0	0	0	0	119.6
506	A	28.2	Very low	31.3	Very low	101 Å²	101	139.4 Å²	139.4	84%	0.835	80%	0.799	S	S	*	*				-179.7	98.2	110.5	0	0	0	0	0	112.5
507	L	34.2	Very low	31	Very low	184 Å²	184	138.4 Å²	138.4	96%	0.963	80%	0.797	S	S	*	*			trans	-120.3	104.7	155.3	-77.1	177	0	0	0	107.8
508	D	29.7	Very low	30.8	Very low	105 Å²	105	137.4 Å²	137.4	56%	0.561	80%	0.8	S	S	*	*			trans	-176.4	122	144.1	-170.3	3.3	0	0	0	109	K510	D508-K510 PolarHBondContact OD1-N 2.88Å; D508-K510 WeakPolarHBondContact OD2-CE 3.49Å; D508-K510 IonicContact OD2-NZ 3.94Å
509	L	31.6	Very low	30.5	Very low	175 Å²	175	138.8 Å²	138.8	92%	0.916	80%	0.802	S	S	*	*			trans	-148.3	83.1	141.8	-85.6	-166.7	0	0	0	108.7
510	K	29	Very low	30.4	Very low	159 Å²	159	139.8 Å²	139.8	69%	0.691	80%	0.797	S	S	*	*			trans	12.8	122.8	147.1	-56.3	-61.3	-175.8	-173.3	0	117.8	D508	D508-K510 PolarHBondContact OD1-N 2.88Å; D508-K510 WeakPolarHBondContact OD2-CE 3.49Å; D508-K510 IonicContact OD2-NZ 3.94Å
511	F	36.4	Very low	30.3	Very low	213 Å²	213	139.6 Å²	139.6	93%	0.934	79%	0.793	S	S	*	*			trans	-73.8	135.6	142.5	-86.3	-105.9	0	0	0	109.7
512	S	32.6	Very low	29.9	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	80%	0.796	S	S	*	*			trans	-152.2	163.3	149.9	64.3	0	0	0	0	110.3
513	D	28.3	Very low	29.9	Very low	145 Å²	145	144.3 Å²	144.3	78%	0.775	80%	0.798	S	S	*	*			trans	67	83.8	159.9	-45.4	-48.5	0	0	0	118.7
514	I	30	Very low	29.8	Very low	167 Å²	167	143.9 Å²	143.9	86%	0.856	79%	0.792	S	S	*	*				-138.5	137.6	113.9	-97.9	156.2	0	0	0	108.1
515	N	28.3	Very low	29.8	Very low	139 Å²	139	148.3 Å²	148.3	74%	0.743	80%	0.801	S	S	*	*			trans	-90.3	136.6	-173.6	-175.8	3.1	0	0	0	111
516	V	34.7	Very low	29.7	Very low	141 Å²	141	150.1 Å²	150.1	86%	0.855	80%	0.795	S	S	*	*			trans	-125.9	85.8	172.8	-176.1	0	0	0	0	109.5
517	A	28	Very low	29.7	Very low	80 Å²	80	154.3 Å²	154.3	66%	0.661	80%	0.798	S	S	*	*			trans	-154.1	144.9	167	0	0	0	0	0	110.7
518	S	27.4	Very low	29.3	Very low	112 Å²	112	149.2 Å²	149.2	78%	0.783	79%	0.79	S	S	*	*			trans	67.7	75.9	164.6	-166.4	0	0	0	0	118.7
519	L	27.8	Very low	29	Very low	154 Å²	154	147.3 Å²	147.3	81%	0.806	80%	0.795	S	S	*	*				-164.9	148.4	116.6	-120.5	73.7	0	0	0	106.9
520	E	27.2	Very low	28.9	Very low	171 Å²	171	148 Å²	148	80%	0.799	80%	0.799	S	S	*	*			cis	-146.6	147.3	3	-172.7	164.9	-152.9	0	0	108.8
521	K	29.8	Very low	28.6	Very low	179 Å²	179	143.6 Å²	143.6	78%	0.778	80%	0.798	S	S	*	*			trans	-143.6	87.2	175.9	-174.2	-126.2	166.3	-172.6	0	111.5
522	E	27	Very low	28.4	Very low	180 Å²	180	141.1 Å²	141.1	84%	0.841	79%	0.794	S	S	*	*			trans	-157.8	115.3	163.5	-118.1	169.6	170.9	0	0	110.5
523	L	28.4	Very low	28.2	Very low	174 Å²	174	142.5 Å²	142.5	91%	0.911	80%	0.799	S	S	*	*			trans	-170.2	69.3	133.7	-157.2	68.3	0	0	0	111.3
524	E	28.2	Very low	28.3	Very low	161 Å²	161	140 Å²	140	75%	0.752	79%	0.793	S	S	*	*			trans	-99.2	146	141.6	-65.8	164.5	121.8	0	0	103.6
525	D	29.5	Very low	28.3	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	79%	0.792	S	S	*	*			cis	-162.8	-167.8	25.4	-156	-17.3	0	0	0	110.4
526	Q	28.3	Very low	28.5	Very low	165 Å²	165	144.2 Å²	144.2	77%	0.771	80%	0.795	S	S	*	*			trans	111.1	119.5	143.7	-159.8	155.9	97	0	0	120.7
527	E	26.2	Very low	28.3	Very low	189 Å²	189	144.7 Å²	144.7	88%	0.883	80%	0.797	S	S	*	*			trans	56	148.1	167.5	-66.1	-164.2	122.3	0	0	118.5
528	G	25.9	Very low	28.5	Very low	77 Å²	77	148.6 Å²	148.6	79%	0.794	81%	0.806	S	S	*	*			cis	116.4	134.7	13.9	0	0	0	0	0	109.7
529	G	24.7	Very low	28.5	Very low	65 Å²	65	147 Å²	147	67%	0.67	81%	0.807	S	S	*	*			cis	-179.8	179.3	-3.2	0	0	0	0	0	108.9
530	L	28.3	Very low	28.5	Very low	191 Å²	191	143.2 Å²	143.2	100%	1	81%	0.806	S	S	*	*			trans	68.1	147	-175.6	-41.1	173.5	0	0	0	114.2
531	G	24.2	Very low	28.7	Very low	65 Å²	65	141.2 Å²	141.2	67%	0.67	81%	0.811	S	S	*	*			cis	142.8	130	-10.4	0	0	0	0	0	112.4
532	L	32.2	Very low	28.6	Very low	161 Å²	161	137.1 Å²	137.1	84%	0.843	81%	0.81	S	S	*	*			trans	172	115.2	152.4	-95.9	170.5	0	0	0	111.9
533	T	27.6	Very low	30	Very low	121 Å²	121	134.4 Å²	134.4	74%	0.742	81%	0.808	S	S	*	*				45.6	147.9	129.5	57.9	0	0	0	0	123.2
534	S	29.8	Very low	30.1	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	81%	0.809	S	S	*	*			cis	-176.1	138.5	-12.3	174.2	0	0	0	0	110.1
535	H	31.8	Very low	30.1	Very low	182 Å²	182	133 Å²	133	84%	0.843	81%	0.812	S	S	*	*				-178.5	158.2	118.8	-112.4	-94.4	0	0	0	114.2
536	R	30.7	Very low	30.3	Very low	212 Å²	212	132.6 Å²	132.6	80%	0.8	81%	0.808	S	S	*	*			trans	-114.6	154.8	176.6	-53.6	172.3	178.5	171.5	-2.5	111.7
537	V	31	Very low	30.6	Very low	150 Å²	150	130.6 Å²	130.6	91%	0.909	81%	0.81	S	S	*	*			trans	-144.2	162.5	131.8	-179.2	0	0	0	0	108.2
538	L	32.7	Very low	30.5	Very low	162 Å²	162	125.6 Å²	125.6	85%	0.848	81%	0.809	S	S	*	*			trans	-123.1	161	-166.4	-72.3	165.9	0	0	0	114.9
539	G	27.3	Very low	30.7	Very low	78 Å²	78	127.3 Å²	127.3	80%	0.804	81%	0.809	S	S	*	*			trans	148.4	124.8	167.6	0	0	0	0	0	109.5
540	G	27.8	Very low	30.7	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	82%	0.819	S	S	*	*			cis	110.7	126.6	25.6	0	0	0	0	0	108.2
541	S	31	Very low	30.5	Very low	129 Å²	129	127.2 Å²	127.2	90%	0.902	81%	0.805	S	S	*	*			cis	-154	179.7	6	-65.5	0	0	0	0	110.2
542	A	28.6	Very low	30.7	Very low	92 Å²	92	135.2 Å²	135.2	76%	0.76	82%	0.815	S	S	*	*			trans	-115.3	-153.5	-175.2	0	0	0	0	0	114
543	P	56.4	Low	30.5	Very low	123 Å²	123	132.1 Å²	132.1	80%	0.799	81%	0.806	S	S	*	*				-122.3	165.5	-108.9	38.7	-22.1	0	0	0	116
544	V	30.4	Very low	30.4	Very low	155 Å²	155	131.4 Å²	131.4	94%	0.939	81%	0.806	S	S	*	*			trans	-141.9	164.8	177.6	-163.3	0	0	0	0	113.8
545	N	28.4	Very low	30.3	Very low	150 Å²	150	130.8 Å²	130.8	80%	0.802	80%	0.802	S	S	*	*			trans	-94.2	178.5	-154.9	-146	-14.6	0	0	0	116.8
546	I	32.2	Very low	30.2	Very low	148 Å²	148	130.8 Å²	130.8	76%	0.759	80%	0.8	S	S	*	*			trans	-80.4	149.8	170.1	-31.3	176.8	0	0	0	110.3
547	P	34.7	Very low	30.2	Very low	124 Å²	124	126.9 Å²	126.9	81%	0.805	80%	0.795	S	S	*	*				-156.1	165.1	107.3	39.7	-22.3	0	0	0	117.2
548	G	25.8	Very low	29.9	Very low	84 Å²	84	124.7 Å²	124.7	87%	0.866	79%	0.786	S	S	*	*			trans	95.6	154.7	140.1	0	0	0	0	0	119.4
549	S	29.2	Very low	29.6	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	78%	0.78	S	S	*	*			trans	-137.3	141.5	179.6	164.3	0	0	0	0	110.1
550	L	24.1	Very low	29.7	Very low	169 Å²	169	123.4 Å²	123.4	89%	0.885	78%	0.778	S	S	*	*			trans	-173.6	169.2	138.7	-105	163.3	0	0	0	113.7
551	A	25	Very low	29.7	Very low	85 Å²	85	124.5 Å²	124.5	70%	0.702	77%	0.774	S	S	*	*			trans	-65.2	179.4	179.6	0	0	0	0	0	113.1
552	R	28.8	Very low	29.5	Very low	234 Å²	234	125.4 Å²	125.4	88%	0.883	77%	0.768	S	S	*	*			cis	-166.1	166.5	29.5	-142	-173.9	-170.4	151.2	-0.9	106.3
553	S	26.6	Very low	29.5	Very low	95 Å²	95	126.1 Å²	126.1	66%	0.664	77%	0.767	S	S	*	*			cis	-153.9	-160.6	9.3	-32.4	0	0	0	0	105.4
554	S	26.2	Very low	28.1	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	77%	0.768	S	S	*	*			cis	-163.2	-177.2	-45.2	52.9	0	0	0	0	104.6
555	S	28.7	Very low	28.3	Very low	80 Å²	80	124 Å²	124	56%	0.559	76%	0.757	S	S	*	*			cis	-143.6	-152.1	13.9	-54	0	0	0	0	107.7
556	F	28.9	Very low	28.7	Very low	183 Å²	183	123 Å²	123	80%	0.803	76%	0.758	S	S	*	*			cis	-151.1	171	3.3	-103.9	-49.7	0	0	0	110.3
557	N	29.5	Very low	28.6	Very low	129 Å²	129	123.6 Å²	123.6	69%	0.69	76%	0.763	S	S	*	*			trans	-8.4	144.1	158.6	-49.5	-0.9	0	0	0	119
558	S	26.3	Very low	28.4	Very low	105 Å²	105	123.1 Å²	123.1	73%	0.734	76%	0.762	S	S	*	*			cis	-137.4	139.2	18.4	-63.7	0	0	0	0	110.5
559	S	26.5	Very low	28.6	Very low	102 Å²	102	123.5 Å²	123.5	71%	0.713	75%	0.752	S	S	*	*				60.8	117.8	69.2	-48.1	0	0	0	0	113.2
560	S	27.8	Very low	28.5	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	74%	0.737	S	S	*	*			cis	-154.6	-161.5	-2.7	-59	0	0	0	0	108.4
561	S	28.7	Very low	28.7	Very low	99 Å²	99	116.9 Å²	116.9	69%	0.692	71%	0.712	S	S	*	*			cis	-164.9	163.5	8.5	-137.8	0	0	0	0	114
562	L	27.6	Very low	29.1	Very low	148 Å²	148	117.1 Å²	117.1	78%	0.775	70%	0.698	S	S	*	*			trans	13.5	121.2	152.1	-54.9	175.8	0	0	0	121.4
563	S	28.1	Very low	29.2	Very low	107 Å²	107	110.4 Å²	110.4	75%	0.748	69%	0.688	S	S	*	*				91.5	157.7	77.2	-57	0	0	0	0	114
564	T	26.2	Very low	29.3	Very low	132 Å²	132	113.7 Å²	113.7	81%	0.81	70%	0.697	S	S	*	*			cis	-140.5	161	10.9	50.6	0	0	0	0	112.9
565	S	35.1	Very low	29.4	Very low	103 Å²	103	113.9 Å²	113.9	72%	0.72	70%	0.698	S	S	*	*			trans	-78.8	178	161.6	-46.1	0	0	0	0	112.7
566	P	36.8	Very low	29.5	Very low	127 Å²	127	119.2 Å²	119.2	83%	0.825	71%	0.714	S	S	*	*				-133.5	172.8	117.8	38.2	-30.2	0	0	0	114.8
567	L	29.7	Very low	29.2	Very low	162 Å²	162	116.3 Å²	116.3	85%	0.848	72%	0.716	S	S	*	*			trans	-122	176.8	-177.2	-69.2	166.9	0	0	0	111.2
568	S	31.3	Very low	29.2	Very low	113 Å²	113	116.9 Å²	116.9	79%	0.79	72%	0.719	S	S	*	*			trans	117.4	144.7	156.7	-54.6	0	0	0	0	115.3
569	S	28.6	Very low	29.2	Very low	93 Å²	93	120.5 Å²	120.5	65%	0.65	73%	0.729	S	S	*	*			cis	-166.8	158.2	-13	-103.5	0	0	0	0	112.9
570	L	27.8	Very low	29.2	Very low	90 Å²	90	121.3 Å²	121.3	47%	0.471	73%	0.734	S	S	.	*			trans	27.5	152.6	131.6	-51.4	177.3	0	0	0	120.8	K662	L570-K662 HydrophobicContact CD2-CD 4Å
571	S	27.6	Very low	29.1	Very low	51 Å²	51	119.3 Å²	119.3	36%	0.357	73%	0.731	S	S	.	*			cis	169.7	-175.9	-7.4	57.9	0	0	0	0	112	E658	S571-E658 VanDerWaalsContact CB-CG 3.49Å; S571-E658 WeakPolarHBondContact CB-OE1 3.29Å; S571-E658 WeakPolarHBondContact OG-CG 3.29Å
572	Q	34.4	Very low	28.9	Very low	90 Å²	90	121.4 Å²	121.4	42%	0.421	74%	0.74	S	S	.	*			trans	72.6	151.4	163.2	-78.5	-168.5	6.9	0	0	118.9	R654 E658	Q572-R654 PolarHBondContact NE2-O 3.22Å; Q572-E658 HydrophobicContact CG-CB 4.33Å; Q572-E658 VanDerWaalsContact CG-CD 3.43Å; Q572-E658 HydrophobicContact CG-CG 4.22Å; Q572-E658 WeakPolarHBondContact CG-OE2 3.16Å; Q572-E658 PolarHBondContact NE2-OE2 3.34Å
573	S	30.1	Very low	29	Very low	94 Å²	94	122.5 Å²	122.5	66%	0.657	75%	0.745	S	S	*	*			cis	-153.4	-157.8	-9.4	-153.6	0	0	0	0	112.3
574	L	28.9	Very low	29	Very low	163 Å²	163	123 Å²	123	85%	0.853	75%	0.748	S	S	*	*			trans	-126.8	145	-178	-80.4	149.6	0	0	0	114.5
575	S	29	Very low	29.1	Very low	110 Å²	110	124 Å²	124	77%	0.769	74%	0.744	S	S	*	*			trans	-167.4	113	148.3	42.9	0	0	0	0	110.3
576	Q	29.6	Very low	29.3	Very low	192 Å²	192	124.3 Å²	124.3	90%	0.897	74%	0.744	S	S	*	*				63.9	114.9	86.6	-74.5	-160.6	81	0	0	117
577	S	24.5	Very low	28.7	Very low	122 Å²	122	124.3 Å²	124.3	85%	0.853	74%	0.736	S	S	*	*				-164.3	168.6	117.2	-154.5	0	0	0	0	113.4
578	L	28.1	Very low	28.7	Very low	142 Å²	142	124.4 Å²	124.4	74%	0.743	73%	0.733	S	S	*	*			trans	-96.7	159	-163.2	-61.7	146	0	0	0	114.6
579	L	27.1	Very low	29.1	Very low	181 Å²	181	124 Å²	124	95%	0.948	73%	0.728	S	S	*	*			trans	-142.9	150.8	135.1	-83.6	-172.3	0	0	0	110.3
580	S	25.9	Very low	28.9	Very low	118 Å²	118	124.5 Å²	124.5	83%	0.825	73%	0.731	S	S	*	*			trans	-110.5	155.8	-164	-55	0	0	0	0	114.1
581	G	25.1	Very low	28.9	Very low	68 Å²	68	127.4 Å²	127.4	70%	0.701	75%	0.747	S	S	*	*			trans	-139.4	87.7	176.6	0	0	0	0	0	114.1
582	T	26.1	Very low	28.9	Very low	144 Å²	144	132.4 Å²	132.4	88%	0.883	77%	0.767	S	S	*	*			trans	48.7	120.5	155.9	57	0	0	0	0	121.3
583	I	29	Very low	28.6	Very low	170 Å²	170	135.6 Å²	135.6	87%	0.872	79%	0.786	S	S	*	*			trans	-140.8	135.3	148.4	-113.7	173.1	0	0	0	110.1
584	S	27.9	Very low	28.5	Very low	117 Å²	117	135.3 Å²	135.3	82%	0.818	79%	0.789	S	S	*	*			trans	178	148.1	170.9	-80.9	0	0	0	0	106.7
585	Q	29.1	Very low	28.3	Very low	154 Å²	154	136.1 Å²	136.1	72%	0.72	79%	0.785	S	S	*	*			cis	-146.7	-179	7.6	-131.9	-156	44.7	0	0	108
586	P	38.4	Very low	28.2	Very low	110 Å²	110	137.3 Å²	137.3	71%	0.714	78%	0.779	S	S	*	*			cis	-140.2	163.6	42.2	39.1	-18.4	0	0	0	119.1
587	N	25.1	Very low	28	Very low	126 Å²	126	134.9 Å²	134.9	67%	0.674	77%	0.767	S	S	*	*			trans	48	113.1	149.5	-71.1	-14.1	0	0	0	123.7
588	Q	29	Very low	28.3	Very low	165 Å²	165	137.5 Å²	137.5	77%	0.771	77%	0.766	S	S	*	*				50	152.8	107.7	-68	-83	3.6	0	0	121.2
589	P	39.4	Very low	28.1	Very low	105 Å²	105	134 Å²	134	68%	0.682	76%	0.763	S	S	*	*			cis	-133.9	172.7	-0.4	41	-23.9	0	0	0	117.5
590	S	25.6	Very low	28.5	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	76%	0.759	S	S	*	*			trans	35.6	130.9	149.2	-55.4	0	0	0	0	121.2
591	N	27.4	Very low	28.9	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	76%	0.76	S	S	*	*				-169.3	176.9	74.2	-131.8	-24.5	0	0	0	117.5
592	M	28	Very low	29	Very low	156 Å²	156	134.6 Å²	134.6	77%	0.768	75%	0.754	S	S	*	*			trans	-54.7	171.8	165.8	-67.1	-62.7	138.7	0	0	115.1
593	L	27.5	Very low	29.3	Very low	157 Å²	157	134.2 Å²	134.2	82%	0.822	75%	0.751	S	S	*	*			cis	-179.2	169.5	-17	174.9	63.5	0	0	0	108.3
594	A	27.4	Very low	29.8	Very low	87 Å²	87	131.4 Å²	131.4	72%	0.719	74%	0.744	S	S	*	*			trans	83.4	105.9	155.7	0	0	0	0	0	123.4
595	K	26	Very low	29.9	Very low	181 Å²	181	131.5 Å²	131.5	79%	0.787	74%	0.74	S	S	*	*				45.1	124.7	113.1	-107.8	-162.2	172.6	-152.3	0	124.4
596	Q	26.6	Very low	29.9	Very low	134 Å²	134	130 Å²	130	63%	0.626	75%	0.747	S	S	*	*				85.8	153.2	121.9	-136.1	-176.5	-52.3	0	0	123.7
597	E	25.7	Very low	29.5	Very low	142 Å²	142	129.8 Å²	129.8	66%	0.664	75%	0.747	S	S	*	*			trans	105	155.1	157.3	-65.1	-59	97.8	0	0	122.6
598	H	29.2	Very low	29.7	Very low	177 Å²	177	128.9 Å²	128.9	82%	0.819	75%	0.751	S	S	*	*			trans	-110.7	164.3	-148.2	-75.6	-99.9	0	0	0	118.1
599	G	25.5	Very low	29.8	Very low	67 Å²	67	129 Å²	129	69%	0.691	75%	0.751	S	S	*	*			trans	162.1	129.5	160.3	0	0	0	0	0	112.3
600	L	34	Very low	29.3	Very low	163 Å²	163	132 Å²	132	85%	0.853	76%	0.762	S	S	*	*			cis	81.2	128.1	40.4	-62	177.3	0	0	0	113.2
601	L	34.6	Very low	29.5	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	76%	0.759	S	S	*	*			cis	-152.4	177	3	-80	129.7	0	0	0	109.4
602	G	27.3	Very low	30	Very low	54 Å²	54	133.3 Å²	133.3	56%	0.557	77%	0.767	S	S	*	*			cis	151.3	105.2	-12.7	0	0	0	0	0	116.8
603	T	32	Very low	30	Very low	135 Å²	135	129 Å²	129	83%	0.828	76%	0.763	S	S	*	*			trans	72.1	165.5	165.9	77.6	0	0	0	0	117.6
604	P	40.9	Very low	30.2	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	76%	0.764	S	S	*	*			cis	-110.3	155.1	45.7	4.5	20.5	0	0	0	115
605	T	29.6	Very low	30.4	Very low	119 Å²	119	132.5 Å²	132.5	73%	0.73	77%	0.77	S	S	*	*				64.4	139.4	66.5	75.2	0	0	0	0	115.9
606	S	29.4	Very low	30.4	Very low	123 Å²	123	128 Å²	128	86%	0.86	78%	0.775	S	S	*	*			cis	-166	-168.4	-3.9	40	0	0	0	0	111.1
607	S	28.8	Very low	30.4	Very low	104 Å²	104	125.1 Å²	125.1	73%	0.727	78%	0.781	S	S	*	*			trans	-114.8	160.6	-161.8	55.4	0	0	0	0	117.9
608	S	29.5	Very low	30.8	Very low	108 Å²	108	122.9 Å²	122.9	76%	0.755	79%	0.786	S	S	*	*			trans	71.1	161.8	162.8	79.4	0	0	0	0	116.6
609	Q	31.2	Very low	30.8	Very low	166 Å²	166	119.4 Å²	119.4	78%	0.776	78%	0.782	S	S	*	*			cis	-140.7	168.3	9.2	-57.5	174.1	-1.4	0	0	111.1
610	N	28.6	Very low	31.1	Very low	170 Å²	170	122.4 Å²	122.4	91%	0.909	78%	0.783	S	S	*	*			trans	-161.9	140.3	142.5	-125.7	-29	0	0	0	111.3
611	S	30.8	Very low	31.2	Very low	93 Å²	93	120.4 Å²	120.4	65%	0.65	77%	0.771	S	S	*	*			trans	-158	107.2	-171.1	58.3	0	0	0	0	115.5
612	L	38.5	Very low	31.3	Very low	187 Å²	187	123.4 Å²	123.4	98%	0.979	77%	0.771	S	S	*	*			trans	-151.9	146.4	157.6	-65.3	176.9	0	0	0	106.7
613	G	27.9	Very low	31.6	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	78%	0.776	S	S	*	*			cis	139.2	107.6	-7.5	0	0	0	0	0	112.8
614	L	31.6	Very low	31.5	Very low	161 Å²	161	129 Å²	129	84%	0.843	78%	0.775	S	S	*	*			trans	141	133.3	146.2	-75.9	171	0	0	0	116.1
615	N	31.3	Very low	31.2	Very low	156 Å²	156	129.6 Å²	129.6	83%	0.834	78%	0.776	S	S	*	*			trans	60.3	139.2	149.6	-62.8	-7.2	0	0	0	122.7
616	G	26.7	Very low	31.5	Very low	86 Å²	86	129.5 Å²	129.5	89%	0.887	78%	0.781	S	S	*	*			trans	147.8	51.1	164.3	0	0	0	0	0	116.7
617	G	26.4	Very low	31.4	Very low	74 Å²	74	127.4 Å²	127.4	76%	0.763	78%	0.778	S	S	*	*			trans	-102.1	123.3	-175.6	0	0	0	0	0	115.8
618	A	33.4	Very low	31.7	Very low	94 Å²	94	126.7 Å²	126.7	78%	0.777	77%	0.773	S	S	*	*			trans	58.6	166.4	153.3	0	0	0	0	0	120.6
619	S	28.5	Very low	31.8	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	78%	0.779	S	S	*	*			trans	78.4	145.5	169.6	-41.6	0	0	0	0	115.7
620	N	32.2	Very low	31.8	Very low	131 Å²	131	128.6 Å²	128.6	70%	0.701	78%	0.78	S	S	*	*			cis	-171.9	160.2	-10.3	-113.9	-10.3	0	0	0	111.4
621	I	36.6	Very low	32.6	Very low	120 Å²	120	126.1 Å²	126.1	62%	0.615	77%	0.773	S	S	*	*			trans	64.6	147	140.6	-67.4	167.9	0	0	0	117.6
622	W	36.2	Very low	32.7	Very low	227 Å²	227	126.3 Å²	126.3	86%	0.86	77%	0.774	S	S	*	*			cis	-111.5	-139.2	6.6	-70.7	100.8	0	0	0	111.6
623	D	34.7	Very low	32.8	Very low	124 Å²	124	123.7 Å²	123.7	66%	0.663	77%	0.768	S	S	*	*				-171.1	-166.1	-93.8	-157.1	-19.2	0	0	0	109.4
624	F	28.5	Very low	33.2	Very low	184 Å²	184	125.3 Å²	125.3	81%	0.807	77%	0.769	S	S	*	*			trans	73.9	126.5	-179.4	-75.4	-98.6	0	0	0	116.7
625	V	34.5	Very low	33.6	Very low	124 Å²	124	123.6 Å²	123.6	75%	0.752	77%	0.768	S	S	*	*			cis	-147.8	159.3	-4.1	83.4	0	0	0	0	112.4
626	S	36.2	Very low	33.8	Very low	117 Å²	117	122.5 Å²	122.5	82%	0.818	77%	0.766	S	S	*	*			trans	-81.1	158.6	-168	-42	0	0	0	0	116
627	G	28.2	Very low	34.3	Very low	78 Å²	78	128 Å²	128	80%	0.804	77%	0.766	S	S	*	*			trans	-151.2	115.2	163.9	0	0	0	0	0	111.4
628	S	35.1	Very low	34.6	Very low	89 Å²	89	129.8 Å²	129.8	62%	0.622	77%	0.767	S	S	*	*			trans	-76.1	163.2	-178.4	48.3	0	0	0	0	112.5
629	F	30.6	Very low	35.1	Very low	202 Å²	202	131.5 Å²	131.5	89%	0.886	77%	0.768	S	S	*	*			cis	-149.7	177.7	35.5	-71.2	-92.1	0	0	0	114.2
630	S	31.4	Very low	35.6	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	78%	0.775	S	S	*	*			trans	-87.2	-179.4	174	-125.7	0	0	0	0	112.3
631	P	44.9	Very low	36.3	Very low	117 Å²	117	134.5 Å²	134.5	76%	0.76	78%	0.78	S	S	*	*			cis	-135.3	-171.8	7.8	42.6	-23.5	0	0	0	116.6
632	S	33.1	Very low	36.6	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	79%	0.79	S	S	*	*			trans	-68.1	174.5	176.2	-40.6	0	0	0	0	115
633	P	41.2	Very low	37.4	Very low	131 Å²	131	130.2 Å²	130.2	85%	0.851	79%	0.789	S	S	*	*				-136.8	154.2	93.6	38.9	-29.1	0	0	0	115.4
634	S	36.9	Very low	38.3	Very low	101 Å²	101	130.8 Å²	130.8	71%	0.706	80%	0.798	S	S	*	*			trans	-104.8	145.6	174.1	-50.4	0	0	0	0	111.5
635	P	39.1	Very low	39.9	Very low	126 Å²	126	124.3 Å²	124.3	82%	0.818	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-78.6	157.8	160.5	33.6	-32.6	0	0	0	111.3
636	V	35	Very low	41.4	Very low	132 Å²	132	123.4 Å²	123.4	80%	0.8	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-93.4	136.8	-170.9	176.5	0	0	0	0	111.9
637	F	37.2	Very low	43.1	Very low	201 Å²	201	121.1 Å²	121.1	88%	0.882	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-74.3	124.1	165	-90.1	-90.3	0	0	0	110.6
638	S	32.3	Very low	45.5	Very low	112 Å²	112	120.4 Å²	120.4	78%	0.783	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-97.6	118.4	163.7	-65.1	0	0	0	0	109.5
639	T	44.7	Very low	47.8	Very low	131 Å²	131	120 Å²	120	80%	0.804	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-63.3	133.3	177.4	-50.4	0	0	0	0	111.4
640	L	38.1	Very low	50.2	Low	167 Å²	167	112.4 Å²	112.4	87%	0.874	71%	0.708	S	S	*	*			trans	-145.9	147	154.6	-140.5	74.1	0	0	0	111.1
641	T	48.2	Very low	52.9	Low	131 Å²	131	112.1 Å²	112.1	80%	0.804	69%	0.69	S	S	*	*			trans	-93.8	138	-174.7	45.1	0	0	0	0	112
642	S	42.5	Very low	55.1	Low	116 Å²	116	111.5 Å²	111.5	81%	0.811	68%	0.68	S	S	*	*			trans	-154.3	135	164.2	55.1	0	0	0	0	111.9
643	T	52.5	Low	57.8	Low	140 Å²	140	112.8 Å²	112.8	86%	0.859	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-65.7	125.8	179.4	48.2	0	0	0	0	112.1	S645	T643-S645 PolarHBondContact O-N 3.37Å
644	T	54.8	Low	60.2	Low	137 Å²	137	113 Å²	113	84%	0.84	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-67	118.2	169	49.8	0	0	0	0	110.2
645	S	62.1	Low	62.8	Low	47 Å²	47	111.6 Å²	111.6	33%	0.329	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-75.3	143	-179.4	94.8	0	0	0	0	111.4	T643 A647 D648	T643-S645 PolarHBondContact O-N 3.37Å; S645-A647 PolarHBondContact O-N 3.38Å; S645-A647 PolarHBondContact OG-N 2.95Å; S645-D648 WeakPolarHBondContact CB-OD2 3.48Å; S645-D648 PolarHBondContact O-N 3.21Å; S645-D648 PolarHBondContact OG-N 3.49Å; S645-D648 PolarHBondContact OG-OD2 3.23Å
646	S	66.1	Low	65.3	Low	106 Å²	106	109.7 Å²	109.7	74%	0.741	62%	0.622	S	S	*	*	H	α-helix	trans	-60	-27.7	172.8	-174.8	0	0	0	0	112.1	D648 V649 A650	S646-D648 VanDerWaalsContact C-N 3.33Å; S646-D648 PolarHBondContact O-N 3.14Å; S646-V649 PolarHBondContact O-N 3.21Å; S646-A650 PolarHBondContact O-N 3.17Å; S646-A650 VanDerWaalsContact O-N 3.12Å
647	A	70.8	Confident	68	Low	68 Å²	68	107 Å²	107	56%	0.562	60%	0.603	S	S	*	*	H	α-helix	trans	-66.7	-30.2	178.1	0	0	0	0	0	113.4	S645 R651	S645-A647 PolarHBondContact O-N 3.38Å; S645-A647 PolarHBondContact OG-N 2.95Å; A647-R651 WeakPolarHBondContact O-CB 3.44Å; A647-R651 PolarHBondContact O-N 2.79Å
648	D	79.1	Confident	70.7	Confident	64 Å²	64	98.1 Å²	98.1	34%	0.342	56%	0.564	S	S	.	*	H	α-helix	trans	-72.1	-40.4	177.2	-71.7	-68	0	0	0	112.3	S645 S646 A650 R651 L652	S645-D648 WeakPolarHBondContact CB-OD2 3.48Å; S645-D648 PolarHBondContact O-N 3.21Å; S645-D648 PolarHBondContact OG-N 3.49Å; S645-D648 PolarHBondContact OG-OD2 3.23Å; S646-D648 VanDerWaalsContact C-N 3.33Å; S646-D648 PolarHBondContact O-N 3.14Å; D648-A650 VanDerWaalsContact C-N 3.34Å; D648-R651 WeakPolarHBondContact O-CB 3.21Å; D648-R651 PolarHBondContact O-N 2.99Å; D648-R651 VanDerWaalsContact O-N 3.16Å; D648-R651 IonicContact OD1-CZ 3.57Å; D648-R651 IonicContact OD1-NE 3.49Å; D648-R651 PolarHBondContact OD1-NE 2.96Å; D648-R651 IonicContact OD1-NH2 2.72Å; D648-R651 PolarHBondContact OD1-NH2 3.38Å; D648-L652 WeakPolarHBondContact O-CG 3.41Å; D648-L652 PolarHBondContact O-N 2.82Å
649	V	82.8	Confident	73.6	Confident	79 Å²	79	94.4 Å²	94.4	48%	0.479	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-45.1	172.8	179.5	0	0	0	0	110.1	S646 R651 L652 F653	S646-V649 PolarHBondContact O-N 3.21Å; V649-R651 VanDerWaalsContact C-N 3.25Å; V649-R651 PolarHBondContact O-N 3.3Å; V649-L652 PolarHBondContact O-N 3.35Å; V649-F653 HydrophobicContact CG1-CD2 4.06Å; V649-F653 HydrophobicContact CG1-CE2 3.71Å; V649-F653 VanDerWaalsContact O-CD2 3.27Å; V649-F653 WeakPolarHBondContact O-CD2 3.46Å; V649-F653 PolarHBondContact O-N 3.04Å
650	A	82.1	Confident	76	Confident	43 Å²	43	93.3 Å²	93.3	36%	0.355	53%	0.525	S	S	.	.	H	α-helix	trans	-63.7	-28.6	175.3	0	0	0	0	0	113.3	S646 D648 R654	S646-A650 PolarHBondContact O-N 3.17Å; S646-A650 VanDerWaalsContact O-N 3.12Å; D648-A650 VanDerWaalsContact C-N 3.34Å; A650-R654 PolarHBondContact O-NH1 2.87Å
651	R	87.9	Confident	78.7	Confident	108 Å²	108	90.7 Å²	90.7	41%	0.408	50%	0.503	S	S	.	.	H	α-helix	trans	-71.1	-47.3	174	172.5	168.1	64.2	90	-6.7	111.6	A647 D648 V649 F653 R654 E655	A647-R651 WeakPolarHBondContact O-CB 3.44Å; A647-R651 PolarHBondContact O-N 2.79Å; D648-R651 WeakPolarHBondContact O-CB 3.21Å; D648-R651 PolarHBondContact O-N 2.99Å; D648-R651 VanDerWaalsContact O-N 3.16Å; D648-R651 IonicContact OD1-CZ 3.57Å; D648-R651 IonicContact OD1-NE 3.49Å; D648-R651 PolarHBondContact OD1-NE 2.96Å; D648-R651 IonicContact OD1-NH2 2.72Å; D648-R651 PolarHBondContact OD1-NH2 3.38Å; V649-R651 VanDerWaalsContact C-N 3.25Å; V649-R651 PolarHBondContact O-N 3.3Å; R651-F653 VanDerWaalsContact C-N 3.3Å; R651-F653 PolarHBondContact O-N 3.26Å; R651-R654 PolarHBondContact O-N 2.93Å; R651-E655 WeakPolarHBondContact CG-OE1 3.34Å; R651-E655 IonicContact NH1-OE1 2.67Å; R651-E655 PolarHBondContact NH1-OE1 3.45Å; R651-E655 VanDerWaalsContact NH1-OE1 3.17Å; R651-E655 PolarHBondContact O-N 3.4Å
652	L	90.2	Very high	80.9	Confident	103 Å²	103	87.3 Å²	87.3	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-60	-36.8	178.2	-70.1	171	0	0	0	112.7	D648 V649 R654 E655 L656	D648-L652 WeakPolarHBondContact O-CG 3.41Å; D648-L652 PolarHBondContact O-N 2.82Å; V649-L652 PolarHBondContact O-N 3.35Å; L652-R654 PolarHBondContact O-N 3.31Å; L652-E655 PolarHBondContact O-N 3.31Å; L652-L656 WeakPolarHBondContact O-CB 3.47Å; L652-L656 PolarHBondContact O-N 3.38Å
653	F	89.3	Confident	83.4	Confident	126 Å²	126	86.3 Å²	86.3	55%	0.553	46%	0.462	S	S	*	.	H	α-helix	trans	-62.6	-39.3	172.8	-78.9	-63.5	0	0	0	112.9	V649 R651 L656 D657	V649-F653 HydrophobicContact CG1-CD2 4.06Å; V649-F653 HydrophobicContact CG1-CE2 3.71Å; V649-F653 VanDerWaalsContact O-CD2 3.27Å; V649-F653 WeakPolarHBondContact O-CD2 3.46Å; V649-F653 PolarHBondContact O-N 3.04Å; R651-F653 VanDerWaalsContact C-N 3.3Å; R651-F653 PolarHBondContact O-N 3.26Å; F653-L656 PolarHBondContact O-N 3.19Å; F653-D657 PolarHBondContact O-N 3.01Å
654	R	91.6	Very high	85.5	Confident	135 Å²	135	85.2 Å²	85.2	51%	0.509	45%	0.445	S	S	.	.	H	α-helix	trans	-69	-35.7	176.3	-66.3	-172.1	-58.1	-88.3	6.3	113	Q572 A650 R651 L652 E658	Q572-R654 PolarHBondContact NE2-O 3.22Å; A650-R654 PolarHBondContact O-NH1 2.87Å; R651-R654 PolarHBondContact O-N 2.93Å; L652-R654 PolarHBondContact O-N 3.31Å; R654-E658 PolarHBondContact O-N 3.41Å
655	E	92.1	Very high	87.3	Confident	72 Å²	72	84.3 Å²	84.3	34%	0.336	43%	0.431	S	S	.	.	H	α-helix	trans	-68	-39.8	174.5	-68	174	-156	0	0	111.1	R651 L652 E658 A659	R651-E655 WeakPolarHBondContact CG-OE1 3.34Å; R651-E655 IonicContact NH1-OE1 2.67Å; R651-E655 PolarHBondContact NH1-OE1 3.45Å; R651-E655 VanDerWaalsContact NH1-OE1 3.17Å; R651-E655 PolarHBondContact O-N 3.4Å; L652-E655 PolarHBondContact O-N 3.31Å; E655-E658 WeakPolarHBondContact O-CB 3.48Å; E655-E658 PolarHBondContact O-N 3.49Å; E655-A659 PolarHBondContact O-N 3.08Å
656	L	91.9	Very high	88.8	Confident	86 Å²	86	91.4 Å²	91.4	45%	0.45	45%	0.451	S	S	.	.	H	α-helix	trans	-63.8	-42.6	173.1	176.2	62.4	0	0	0	112.4	L652 F653 E658 A659 K660	L652-L656 WeakPolarHBondContact O-CB 3.47Å; L652-L656 PolarHBondContact O-N 3.38Å; F653-L656 PolarHBondContact O-N 3.19Å; L656-E658 VanDerWaalsContact C-N 3.31Å; L656-A659 WeakPolarHBondContact O-CB 3.45Å; L656-A659 PolarHBondContact O-N 3.45Å; L656-A659 VanDerWaalsContact O-N 3.14Å; L656-K660 WeakPolarHBondContact O-CG 3.36Å; L656-K660 PolarHBondContact O-N 3.31Å
657	D	92	Very high	90.3	Very high	74 Å²	74	91.3 Å²	91.3	40%	0.396	44%	0.439	S	S	.	.	H	α-helix	trans	-73.3	-22.6	178.1	-71.2	-21.6	0	0	0	112.7	F653 K660 R661	F653-D657 PolarHBondContact O-N 3.01Å; D657-K660 WeakPolarHBondContact OD1-CD 3.49Å; D657-K660 WeakPolarHBondContact OD1-CE 3.33Å; D657-K660 IonicContact OD1-NZ 3.59Å; D657-K660 PolarHBondContact OD1-NZ 2.82Å; D657-R661 WeakPolarHBondContact O-CG 3.42Å; D657-R661 PolarHBondContact O-N 3.05Å; D657-R661 VanDerWaalsContact O-N 3.16Å
658	E	93.9	Very high	91.5	Very high	15 Å²	15	93 Å²	93	7%	0.07	44%	0.435	C	S	.	.	H	α-helix	trans	-64.3	-50	161.5	-173.5	74.5	164.6	0	0	111.5	S571 Q572 R654 E655 L656 K660 R661 K662	S571-E658 VanDerWaalsContact CB-CG 3.49Å; S571-E658 WeakPolarHBondContact CB-OE1 3.29Å; S571-E658 WeakPolarHBondContact OG-CG 3.29Å; Q572-E658 HydrophobicContact CG-CB 4.33Å; Q572-E658 VanDerWaalsContact CG-CD 3.43Å; Q572-E658 HydrophobicContact CG-CG 4.22Å; Q572-E658 WeakPolarHBondContact CG-OE2 3.16Å; Q572-E658 PolarHBondContact NE2-OE2 3.34Å; R654-E658 PolarHBondContact O-N 3.41Å; E655-E658 WeakPolarHBondContact O-CB 3.48Å; E655-E658 PolarHBondContact O-N 3.49Å; L656-E658 VanDerWaalsContact C-N 3.31Å; E658-K660 PolarHBondContact O-N 2.83Å; E658-R661 PolarHBondContact O-N 3.45Å; E658-R661 IonicContact OE2-CZ 3.6Å; E658-R661 IonicContact OE2-NE 3.17Å; E658-R661 IonicContact OE2-NH1 2.6Å; E658-R661 IonicContact OE2-NH2 3.67Å; E658-R661 PolarHBondContact OE2-NH2 2.71Å; E658-K662 HydrophobicContact CG-CD 4Å; E658-K662 HydrophobicContact CG-CG 4.13Å; E658-K662 PolarHBondContact O-N 2.86Å; E658-K662 WeakPolarHBondContact OE1-CE 3.32Å; E658-K662 IonicContact OE1-NZ 2.82Å
659	A	93.4	Very high	92.2	Very high	35 Å²	35	92 Å²	92	29%	0.289	44%	0.436	S	S	.	.	H	α-helix	trans	-56.4	-42.7	-176.5	0	0	0	0	0	110.7	E655 L656 K662 I663	E655-A659 PolarHBondContact O-N 3.08Å; L656-A659 WeakPolarHBondContact O-CB 3.45Å; L656-A659 PolarHBondContact O-N 3.45Å; L656-A659 VanDerWaalsContact O-N 3.14Å; A659-K662 PolarHBondContact O-N 2.9Å; A659-I663 WeakPolarHBondContact O-CB 3.45Å; A659-I663 WeakPolarHBondContact O-CD1 3.26Å; A659-I663 WeakPolarHBondContact O-CG1 3.28Å; A659-I663 PolarHBondContact O-N 2.7Å
660	K	94	Very high	92.7	Very high	108 Å²	108	96.7 Å²	96.7	47%	0.47	45%	0.445	S	S	.	.	H	α-helix	trans	-59.1	-48.2	171.4	-65.6	171.9	-167	158.4	0	112.9	L656 D657 E658 K662 I663 K664	L656-K660 WeakPolarHBondContact O-CG 3.36Å; L656-K660 PolarHBondContact O-N 3.31Å; D657-K660 WeakPolarHBondContact OD1-CD 3.49Å; D657-K660 WeakPolarHBondContact OD1-CE 3.33Å; D657-K660 IonicContact OD1-NZ 3.59Å; D657-K660 PolarHBondContact OD1-NZ 2.82Å; E658-K660 PolarHBondContact O-N 2.83Å; K660-K662 VanDerWaalsContact C-N 3.33Å; K660-K662 PolarHBondContact O-N 3.15Å; K660-I663 PolarHBondContact O-N 2.8Å; K660-K664 PolarHBondContact O-N 3.13Å
661	R	95.1	Very high	93.3	Very high	111 Å²	111	100.6 Å²	100.6	42%	0.419	46%	0.456	S	S	.	.	H	α-helix	trans	-61.9	-39.6	178.3	-75.7	-166.7	-65.4	131.3	-15.4	112.2	D657 E658 K664 Q665	D657-R661 WeakPolarHBondContact O-CG 3.42Å; D657-R661 PolarHBondContact O-N 3.05Å; D657-R661 VanDerWaalsContact O-N 3.16Å; E658-R661 PolarHBondContact O-N 3.45Å; E658-R661 IonicContact OE2-CZ 3.6Å; E658-R661 IonicContact OE2-NE 3.17Å; E658-R661 IonicContact OE2-NH1 2.6Å; E658-R661 IonicContact OE2-NH2 3.67Å; E658-R661 PolarHBondContact OE2-NH2 2.71Å; R661-K664 PolarHBondContact O-N 3.31Å; R661-Q665 WeakPolarHBondContact O-CG 3.29Å; R661-Q665 PolarHBondContact O-N 3.31Å; R661-Q665 VanDerWaalsContact O-N 3.08Å
662	K	94.9	Very high	93.6	Very high	61 Å²	61	102.1 Å²	102.1	27%	0.265	47%	0.468	S	S	.	.	H	α-helix	trans	-67.5	-43.7	175.2	-72.4	-173	176.9	-170.8	0	112.1	L570 E658 A659 K660 K664 Q665 W666	L570-K662 HydrophobicContact CD2-CD 4Å; E658-K662 HydrophobicContact CG-CD 4Å; E658-K662 HydrophobicContact CG-CG 4.13Å; E658-K662 PolarHBondContact O-N 2.86Å; E658-K662 WeakPolarHBondContact OE1-CE 3.32Å; E658-K662 IonicContact OE1-NZ 2.82Å; A659-K662 PolarHBondContact O-N 2.9Å; K660-K662 VanDerWaalsContact C-N 3.33Å; K660-K662 PolarHBondContact O-N 3.15Å; K662-K664 VanDerWaalsContact C-N 3.31Å; K662-K664 PolarHBondContact O-N 2.88Å; K662-Q665 WeakPolarHBondContact O-CB 3.39Å; K662-Q665 PolarHBondContact O-N 3.41Å; K662-Q665 VanDerWaalsContact O-N 3.14Å; K662-W666 PolarHBondContact O-N 3.4Å
663	I	95.4	Very high	93.9	Very high	95 Å²	95	101.6 Å²	101.6	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-56.2	-47.7	174.9	-72.3	162.7	0	0	0	109.9	A659 K660 Q665 W666 E667	A659-I663 WeakPolarHBondContact O-CB 3.45Å; A659-I663 WeakPolarHBondContact O-CD1 3.26Å; A659-I663 WeakPolarHBondContact O-CG1 3.28Å; A659-I663 PolarHBondContact O-N 2.7Å; K660-I663 PolarHBondContact O-N 2.8Å; I663-Q665 VanDerWaalsContact C-N 3.33Å; I663-Q665 PolarHBondContact O-N 3.4Å; I663-W666 CarbonylContact O-C 3.6Å; I663-W666 WeakPolarHBondContact O-CB 3.49Å; I663-W666 PolarHBondContact O-N 3.47Å; I663-W666 VanDerWaalsContact O-N 3.08Å; I663-E667 HydrophobicContact CG2-CG 4.34Å; I663-E667 WeakPolarHBondContact CG2-OE1 3.42Å; I663-E667 WeakPolarHBondContact O-CG 3.22Å; I663-E667 PolarHBondContact O-N 3.43Å
664	K	94.9	Very high	94.2	Very high	117 Å²	117	100.4 Å²	100.4	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-59.3	-39.1	176	-169.1	171.6	-173.5	-72.3	0	113.3	K660 R661 K662 E667 E668	K660-K664 PolarHBondContact O-N 3.13Å; R661-K664 PolarHBondContact O-N 3.31Å; K662-K664 VanDerWaalsContact C-N 3.31Å; K662-K664 PolarHBondContact O-N 2.88Å; K664-E667 PolarHBondContact O-N 2.86Å; K664-E668 IonicContact NZ-OE1 2.77Å; K664-E668 PolarHBondContact NZ-OE1 2.94Å; K664-E668 WeakPolarHBondContact O-CB 3.43Å; K664-E668 VanDerWaalsContact O-CG 3.28Å; K664-E668 WeakPolarHBondContact O-CG 3.28Å; K664-E668 PolarHBondContact O-N 3.02Å
665	Q	94	Very high	94.4	Very high	117 Å²	117	100.6 Å²	100.6	55%	0.547	47%	0.469	S	S	.	.	H	α-helix	trans	-66.3	-38.2	174.1	-72.6	171.7	-19.7	0	0	112.7	R661 K662 I663 A669	R661-Q665 WeakPolarHBondContact O-CG 3.29Å; R661-Q665 PolarHBondContact O-N 3.31Å; R661-Q665 VanDerWaalsContact O-N 3.08Å; K662-Q665 WeakPolarHBondContact O-CB 3.39Å; K662-Q665 PolarHBondContact O-N 3.41Å; K662-Q665 VanDerWaalsContact O-N 3.14Å; I663-Q665 VanDerWaalsContact C-N 3.33Å; I663-Q665 PolarHBondContact O-N 3.4Å; Q665-A669 WeakPolarHBondContact O-CB 3.3Å; Q665-A669 PolarHBondContact O-N 2.75Å
666	W	94	Very high	94.4	Very high	197 Å²	197	100 Å²	100	75%	0.746	48%	0.477	S	S	*	.	H	α-helix	trans	-67.7	-38	173.3	-79.6	105.3	0	0	0	112	K662 I663 W670	K662-W666 PolarHBondContact O-N 3.4Å; I663-W666 CarbonylContact O-C 3.6Å; I663-W666 WeakPolarHBondContact O-CB 3.49Å; I663-W666 PolarHBondContact O-N 3.47Å; I663-W666 VanDerWaalsContact O-N 3.08Å; W666-W670 VanDerWaalsContact O-CB 3.23Å; W666-W670 WeakPolarHBondContact O-CB 3.39Å; W666-W670 PolarHBondContact O-N 3Å
667	E	96.6	Very high	94.5	Very high	104 Å²	104	99.8 Å²	99.8	49%	0.486	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-45.2	173.9	-71.1	168	166.5	0	0	111.5	I663 K664 W670 H671	I663-E667 HydrophobicContact CG2-CG 4.34Å; I663-E667 WeakPolarHBondContact CG2-OE1 3.42Å; I663-E667 WeakPolarHBondContact O-CG 3.22Å; I663-E667 PolarHBondContact O-N 3.43Å; K664-E667 PolarHBondContact O-N 2.86Å; E667-W670 PolarHBondContact O-N 3.27Å; E667-H671 PolarHBondContact O-N 3.21Å; E667-H671 PolarHBondContact O-ND1 3.45Å
668	E	95.3	Very high	94.7	Very high	103 Å²	103	100.7 Å²	100.7	48%	0.481	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-46.8	176	-75.1	166.5	177.8	0	0	111.7	K664 W670 H671 Q672	K664-E668 IonicContact NZ-OE1 2.77Å; K664-E668 PolarHBondContact NZ-OE1 2.94Å; K664-E668 WeakPolarHBondContact O-CB 3.43Å; K664-E668 VanDerWaalsContact O-CG 3.28Å; K664-E668 WeakPolarHBondContact O-CG 3.28Å; K664-E668 PolarHBondContact O-N 3.02Å; E668-W670 VanDerWaalsContact C-N 3.34Å; E668-W670 PolarHBondContact O-N 3.38Å; E668-H671 PolarHBondContact O-N 2.87Å; E668-Q672 PolarHBondContact O-N 3.26Å
669	A	94.1	Very high	94.8	Very high	44 Å²	44	102.2 Å²	102.2	36%	0.364	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-38.8	175.4	0	0	0	0	0	112.4	Q665 Q672 V673	Q665-A669 WeakPolarHBondContact O-CB 3.3Å; Q665-A669 PolarHBondContact O-N 2.75Å; A669-Q672 PolarHBondContact O-N 2.85Å; A669-V673 WeakPolarHBondContact O-CG2 3.43Å; A669-V673 PolarHBondContact O-N 2.83Å
670	W	93	Very high	94.8	Very high	176 Å²	176	104.5 Å²	104.5	67%	0.667	51%	0.512	S	S	*	.	H	α-helix	trans	-65	-40.9	176	-179.8	-108	0	0	0	112.3	W666 E667 E668 Q672 V673 K674	W666-W670 VanDerWaalsContact O-CB 3.23Å; W666-W670 WeakPolarHBondContact O-CB 3.39Å; W666-W670 PolarHBondContact O-N 3Å; E667-W670 PolarHBondContact O-N 3.27Å; E668-W670 VanDerWaalsContact C-N 3.34Å; E668-W670 PolarHBondContact O-N 3.38Å; W670-Q672 VanDerWaalsContact C-N 3.34Å; W670-Q672 PolarHBondContact O-N 2.88Å; W670-V673 PolarHBondContact O-N 2.96Å; W670-K674 WeakPolarHBondContact O-CB 3.4Å; W670-K674 PolarHBondContact O-N 2.88Å
671	H	96.4	Very high	94.9	Very high	125 Å²	125	105.3 Å²	105.3	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-62.8	-40.4	173.1	-77.4	85.1	0	0	0	111.9	E667 E668 K674 Q675	E667-H671 PolarHBondContact O-N 3.21Å; E667-H671 PolarHBondContact O-ND1 3.45Å; E668-H671 PolarHBondContact O-N 2.87Å; H671-K674 PolarHBondContact O-N 3.47Å; H671-Q675 WeakPolarHBondContact O-CB 3.32Å; H671-Q675 PolarHBondContact O-N 3.38Å
672	Q	94.4	Very high	94.9	Very high	141 Å²	141	106.1 Å²	106.1	66%	0.659	52%	0.524	S	S	*	.	H	α-helix	trans	-63.6	-43.1	176	-168.2	178.6	18.7	0	0	112.1	E668 A669 W670 Q675 A676	E668-Q672 PolarHBondContact O-N 3.26Å; A669-Q672 PolarHBondContact O-N 2.85Å; W670-Q672 VanDerWaalsContact C-N 3.34Å; W670-Q672 PolarHBondContact O-N 2.88Å; Q672-Q675 PolarHBondContact O-N 3.31Å; Q672-A676 WeakPolarHBondContact O-CB 3.46Å; Q672-A676 PolarHBondContact O-N 3.31Å
673	V	95.6	Very high	94.8	Very high	91 Å²	91	107.8 Å²	107.8	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-64.2	-41.1	175.1	170.9	0	0	0	0	111.5	A669 W670 A676 C677	A669-V673 WeakPolarHBondContact O-CG2 3.43Å; A669-V673 PolarHBondContact O-N 2.83Å; W670-V673 PolarHBondContact O-N 2.96Å; V673-A676 PolarHBondContact O-N 2.87Å; V673-C677 WeakPolarHBondContact O-CB 3.31Å; V673-C677 PolarHBondContact O-N 2.75Å
674	K	95.8	Very high	94.6	Very high	102 Å²	102	106.3 Å²	106.3	44%	0.443	54%	0.538	S	S	.	.	H	α-helix	trans	-61.8	-46.4	175.5	-177.1	174.2	179.5	-69.6	0	111.7	W670 H671 A676 C677 E678	W670-K674 WeakPolarHBondContact O-CB 3.4Å; W670-K674 PolarHBondContact O-N 2.88Å; H671-K674 PolarHBondContact O-N 3.47Å; K674-A676 PolarHBondContact O-N 3.18Å; K674-C677 WeakPolarHBondContact O-CB 3.5Å; K674-C677 PolarHBondContact O-N 3.05Å; K674-E678 WeakPolarHBondContact CE-OE1 3.47Å; K674-E678 IonicContact NZ-OE1 2.83Å; K674-E678 PolarHBondContact NZ-OE1 2.97Å; K674-E678 IonicContact NZ-OE2 3.69Å; K674-E678 WeakPolarHBondContact O-CG 3.12Å; K674-E678 PolarHBondContact O-N 3.47Å
675	Q	95.6	Very high	94.6	Very high	138 Å²	138	105.2 Å²	105.2	65%	0.645	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-40.4	177.4	-170.9	-179.7	17.1	0	0	112.1	H671 Q672 C677 E678 A679	H671-Q675 WeakPolarHBondContact O-CB 3.32Å; H671-Q675 PolarHBondContact O-N 3.38Å; Q672-Q675 PolarHBondContact O-N 3.31Å; Q675-C677 VanDerWaalsContact C-N 3.34Å; Q675-E678 PolarHBondContact O-N 3.36Å; Q675-A679 WeakPolarHBondContact O-CB 3.32Å; Q675-A679 PolarHBondContact O-N 3.29Å
676	A	92.9	Very high	94.7	Very high	61 Å²	61	104.1 Å²	104.1	50%	0.504	53%	0.532	S	S	.	.	H	α-helix	trans	-65.2	-36.6	174.7	0	0	0	0	0	112.4	Q672 V673 K674 C680	Q672-A676 WeakPolarHBondContact O-CB 3.46Å; Q672-A676 PolarHBondContact O-N 3.31Å; V673-A676 PolarHBondContact O-N 2.87Å; K674-A676 PolarHBondContact O-N 3.18Å; A676-C680 WeakPolarHBondContact O-CB 3.41Å; A676-C680 PolarHBondContact O-N 2.88Å
677	C	93.4	Very high	94.5	Very high	80 Å²	80	97.3 Å²	97.3	54%	0.541	52%	0.518	S	S	.	.	H	α-helix	trans	-66.6	-42.3	174.1	-169.7	0	0	0	0	112	V673 K674 Q675 C680 Q681	V673-C677 WeakPolarHBondContact O-CB 3.31Å; V673-C677 PolarHBondContact O-N 2.75Å; K674-C677 WeakPolarHBondContact O-CB 3.5Å; K674-C677 PolarHBondContact O-N 3.05Å; Q675-C677 VanDerWaalsContact C-N 3.34Å; C677-C680 PolarHBondContact O-N 2.69Å; C677-Q681 WeakPolarHBondContact O-CB 3.5Å; C677-Q681 PolarHBondContact O-N 2.85Å
678	E	96.7	Very high	94.4	Very high	93 Å²	93	98.3 Å²	98.3	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-40.3	177	-73.8	169.3	176.9	0	0	112	K674 Q675 Q681 K682	K674-E678 WeakPolarHBondContact CE-OE1 3.47Å; K674-E678 IonicContact NZ-OE1 2.83Å; K674-E678 PolarHBondContact NZ-OE1 2.97Å; K674-E678 IonicContact NZ-OE2 3.69Å; K674-E678 WeakPolarHBondContact O-CG 3.12Å; K674-E678 PolarHBondContact O-N 3.47Å; Q675-E678 PolarHBondContact O-N 3.36Å; E678-Q681 PolarHBondContact O-N 3.42Å; E678-K682 PolarHBondContact O-N 2.99Å
679	A	94.8	Very high	94.4	Very high	48 Å²	48	97.6 Å²	97.6	40%	0.397	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-52.5	171.9	0	0	0	0	0	111.4	Q675 Q681 K682 D683	Q675-A679 WeakPolarHBondContact O-CB 3.32Å; Q675-A679 PolarHBondContact O-N 3.29Å; A679-Q681 PolarHBondContact O-N 3.18Å; A679-K682 WeakPolarHBondContact O-CA 3.27Å; A679-K682 WeakPolarHBondContact O-CB 3.34Å; A679-K682 PolarHBondContact O-N 3.17Å; A679-D683 VanDerWaalsContact O-CG 3.27Å; A679-D683 PolarHBondContact O-N 2.71Å
680	C	93.3	Very high	94.4	Very high	83 Å²	83	101 Å²	101	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-59.8	-34.1	178.2	-173.4	0	0	0	0	112.7	A676 C677 A684	A676-C680 WeakPolarHBondContact O-CB 3.41Å; A676-C680 PolarHBondContact O-N 2.88Å; C677-C680 PolarHBondContact O-N 2.69Å; C680-A684 VanDerWaalsContact O-CB 3.31Å; C680-A684 WeakPolarHBondContact O-CB 3.31Å; C680-A684 PolarHBondContact O-N 3.44Å
681	Q	96.5	Very high	94.3	Very high	125 Å²	125	95.5 Å²	95.5	58%	0.584	52%	0.517	S	S	*	.	H	α-helix	trans	-68.1	-39.8	174.3	-176.9	177.3	-0.5	0	0	111.8	C677 E678 A679 L685	C677-Q681 WeakPolarHBondContact O-CB 3.5Å; C677-Q681 PolarHBondContact O-N 2.85Å; E678-Q681 PolarHBondContact O-N 3.42Å; A679-Q681 PolarHBondContact O-N 3.18Å; Q681-L685 WeakPolarHBondContact O-CG 3.46Å; Q681-L685 PolarHBondContact O-N 3.22Å; Q681-L685 VanDerWaalsContact O-N 3.16Å
682	K	96.4	Very high	94.3	Very high	127 Å²	127	94.7 Å²	94.7	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-48.6	173.8	-171.2	-157.3	168.6	-145.3	0	110.9	E678 A679 A684 L685 E686	E678-K682 PolarHBondContact O-N 2.99Å; A679-K682 WeakPolarHBondContact O-CA 3.27Å; A679-K682 WeakPolarHBondContact O-CB 3.34Å; A679-K682 PolarHBondContact O-N 3.17Å; K682-A684 VanDerWaalsContact C-N 3.29Å; K682-A684 PolarHBondContact O-N 3.49Å; K682-L685 WeakPolarHBondContact O-CB 3.44Å; K682-L685 PolarHBondContact O-N 2.85Å; K682-E686 IonicContact NZ-OE2 3.12Å; K682-E686 PolarHBondContact O-N 3.01Å
683	D	91.8	Very high	94.3	Very high	97 Å²	97	91.9 Å²	91.9	52%	0.519	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-38.3	-178.9	-59.8	-15.2	0	0	0	111.4	A679 L685 E686 A687	A679-D683 VanDerWaalsContact O-CG 3.27Å; A679-D683 PolarHBondContact O-N 2.71Å; D683-L685 VanDerWaalsContact C-N 3.33Å; D683-L685 PolarHBondContact O-N 3.48Å; D683-E686 PolarHBondContact O-N 2.87Å; D683-A687 VanDerWaalsContact O-CB 3.31Å; D683-A687 WeakPolarHBondContact O-CB 3.48Å; D683-A687 PolarHBondContact O-N 3.43Å
684	A	92.2	Very high	94	Very high	63 Å²	63	90.1 Å²	90.1	52%	0.521	50%	0.499	S	S	.	.	H	α-helix	trans	-66.8	-30.3	174.5	0	0	0	0	0	113.6	C680 K682 K688	C680-A684 VanDerWaalsContact O-CB 3.31Å; C680-A684 WeakPolarHBondContact O-CB 3.31Å; C680-A684 PolarHBondContact O-N 3.44Å; K682-A684 VanDerWaalsContact C-N 3.29Å; K682-A684 PolarHBondContact O-N 3.49Å; A684-K688 WeakPolarHBondContact O-CB 3.19Å; A684-K688 PolarHBondContact O-N 2.81Å
685	L	95	Very high	93.8	Very high	94 Å²	94	88.5 Å²	88.5	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-75.1	-42.5	172.1	-71.4	169.9	0	0	0	111.2	Q681 K682 D683 K688 E689	Q681-L685 WeakPolarHBondContact O-CG 3.46Å; Q681-L685 PolarHBondContact O-N 3.22Å; Q681-L685 VanDerWaalsContact O-N 3.16Å; K682-L685 WeakPolarHBondContact O-CB 3.44Å; K682-L685 PolarHBondContact O-N 2.85Å; D683-L685 VanDerWaalsContact C-N 3.33Å; D683-L685 PolarHBondContact O-N 3.48Å; L685-K688 WeakPolarHBondContact O-CB 3.34Å; L685-K688 PolarHBondContact O-N 3.35Å; L685-K688 VanDerWaalsContact O-N 3.15Å; L685-E689 PolarHBondContact O-N 3.21Å
686	E	95.2	Very high	93.9	Very high	95 Å²	95	84.7 Å²	84.7	44%	0.444	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-46.5	178	-163.5	178.8	133.6	0	0	111.3	K682 D683 K688 E689 Q690	K682-E686 IonicContact NZ-OE2 3.12Å; K682-E686 PolarHBondContact O-N 3.01Å; D683-E686 PolarHBondContact O-N 2.87Å; E686-K688 PolarHBondContact O-N 3.05Å; E686-E689 PolarHBondContact O-N 2.91Å; E686-E689 VanDerWaalsContact O-N 3.13Å; E686-Q690 WeakPolarHBondContact O-CG 3.36Å; E686-Q690 PolarHBondContact O-N 3.2Å; E686-Q690 PolarHBondContact OE1-NE2 3.05Å
687	A	89.1	Confident	93.9	Very high	54 Å²	54	87.8 Å²	87.8	45%	0.446	49%	0.49	S	S	.	.	H	α-helix	trans	-60	-30.8	174.1	0	0	0	0	0	113	D683 A691	D683-A687 VanDerWaalsContact O-CB 3.31Å; D683-A687 WeakPolarHBondContact O-CB 3.48Å; D683-A687 PolarHBondContact O-N 3.43Å; A687-A691 VanDerWaalsContact O-CB 3.29Å; A687-A691 WeakPolarHBondContact O-CB 3.44Å; A687-A691 PolarHBondContact O-N 3.47Å
688	K	95.1	Very high	94	Very high	124 Å²	124	89.3 Å²	89.3	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-71.1	-40.1	175.1	-178.4	-175.3	177.4	-174.4	0	112	A684 L685 E686 A691 K692	A684-K688 WeakPolarHBondContact O-CB 3.19Å; A684-K688 PolarHBondContact O-N 2.81Å; L685-K688 WeakPolarHBondContact O-CB 3.34Å; L685-K688 PolarHBondContact O-N 3.35Å; L685-K688 VanDerWaalsContact O-N 3.15Å; E686-K688 PolarHBondContact O-N 3.05Å; K688-A691 PolarHBondContact O-N 3.29Å; K688-K692 PolarHBondContact O-N 3.03Å
689	E	95.9	Very high	93.9	Very high	89 Å²	89	89.3 Å²	89.3	42%	0.416	48%	0.484	S	S	.	.	H	α-helix	trans	-71.7	-42.2	175.9	-60	-51.9	123.8	0	0	111.3	L685 E686 A691 K692 T693	L685-E689 PolarHBondContact O-N 3.21Å; E686-E689 PolarHBondContact O-N 2.91Å; E686-E689 VanDerWaalsContact O-N 3.13Å; E689-A691 PolarHBondContact O-N 3.41Å; E689-K692 WeakPolarHBondContact O-CB 3.29Å; E689-K692 PolarHBondContact O-N 3.16Å; E689-K692 WeakPolarHBondContact OE1-CE 3.5Å; E689-K692 IonicContact OE1-NZ 3.97Å; E689-K692 PolarHBondContact OE1-NZ 2.91Å; E689-K692 WeakPolarHBondContact OE2-CD 3.41Å; E689-K692 WeakPolarHBondContact OE2-CE 3.5Å; E689-K692 IonicContact OE2-NZ 3.42Å; E689-K692 PolarHBondContact OE2-NZ 2.87Å; E689-T693 PolarHBondContact O-N 2.68Å; E689-T693 PolarHBondContact O-OG1 3.12Å
690	Q	93.4	Very high	93.9	Very high	115 Å²	115	91.3 Å²	91.3	54%	0.537	49%	0.488	S	S	.	.	H	α-helix	trans	-55.4	-40.6	171.1	-69.1	177.6	13.4	0	0	111.8	E686 K692 T693 A694	E686-Q690 WeakPolarHBondContact O-CG 3.36Å; E686-Q690 PolarHBondContact O-N 3.2Å; E686-Q690 PolarHBondContact OE1-NE2 3.05Å; Q690-K692 VanDerWaalsContact C-N 3.34Å; Q690-K692 PolarHBondContact O-N 2.76Å; Q690-T693 PolarHBondContact O-N 3.28Å; Q690-A694 PolarHBondContact O-N 3.36Å
691	A	90.9	Very high	93.7	Very high	60 Å²	60	90 Å²	90	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-30.1	175.6	0	0	0	0	0	113.7	A687 K688 E689 E695	A687-A691 VanDerWaalsContact O-CB 3.29Å; A687-A691 WeakPolarHBondContact O-CB 3.44Å; A687-A691 PolarHBondContact O-N 3.47Å; K688-A691 PolarHBondContact O-N 3.29Å; E689-A691 PolarHBondContact O-N 3.41Å; A691-E695 VanDerWaalsContact O-CB 3.31Å; A691-E695 WeakPolarHBondContact O-CB 3.43Å; A691-E695 PolarHBondContact O-N 3.05Å
692	K	96.8	Very high	93.6	Very high	109 Å²	109	87.9 Å²	87.9	47%	0.474	47%	0.473	S	S	.	.	H	α-helix	trans	-70	-42.8	171.2	-65.6	-180	-163.3	163.6	0	111.6	K688 E689 Q690 E695 A696	K688-K692 PolarHBondContact O-N 3.03Å; E689-K692 WeakPolarHBondContact O-CB 3.29Å; E689-K692 PolarHBondContact O-N 3.16Å; E689-K692 WeakPolarHBondContact OE1-CE 3.5Å; E689-K692 IonicContact OE1-NZ 3.97Å; E689-K692 PolarHBondContact OE1-NZ 2.91Å; E689-K692 WeakPolarHBondContact OE2-CD 3.41Å; E689-K692 WeakPolarHBondContact OE2-CE 3.5Å; E689-K692 IonicContact OE2-NZ 3.42Å; E689-K692 PolarHBondContact OE2-NZ 2.87Å; Q690-K692 VanDerWaalsContact C-N 3.34Å; Q690-K692 PolarHBondContact O-N 2.76Å; K692-E695 WeakPolarHBondContact O-CB 3.47Å; K692-E695 PolarHBondContact O-N 3.44Å; K692-A696 PolarHBondContact O-N 3Å
693	T	94	Very high	93.5	Very high	81 Å²	81	87.8 Å²	87.8	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-61.3	-48.7	179.4	-53.8	0	0	0	0	110.8	E689 Q690 E695 A696 E697	E689-T693 PolarHBondContact O-N 2.68Å; E689-T693 PolarHBondContact O-OG1 3.12Å; Q690-T693 PolarHBondContact O-N 3.28Å; T693-E695 PolarHBondContact O-N 3.22Å; T693-A696 PolarHBondContact O-N 3.47Å; T693-A696 VanDerWaalsContact O-N 3.12Å; T693-E697 WeakPolarHBondContact O-CG 3.39Å; T693-E697 PolarHBondContact O-N 3.29Å
694	A	89.1	Confident	93.7	Very high	54 Å²	54	89 Å²	89	45%	0.446	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-29.8	176.2	0	0	0	0	0	113.3	Q690 R698	Q690-A694 PolarHBondContact O-N 3.36Å; A694-R698 WeakPolarHBondContact O-CB 3.38Å; A694-R698 PolarHBondContact O-N 2.64Å
695	E	92.8	Very high	93.5	Very high	69 Å²	69	92.9 Å²	92.9	32%	0.322	48%	0.476	S	S	.	.	H	α-helix	trans	-74	-37.5	174.1	176.8	59.9	-163.1	0	0	112.1	A691 K692 T693 R698 Q699	A691-E695 VanDerWaalsContact O-CB 3.31Å; A691-E695 WeakPolarHBondContact O-CB 3.43Å; A691-E695 PolarHBondContact O-N 3.05Å; K692-E695 WeakPolarHBondContact O-CB 3.47Å; K692-E695 PolarHBondContact O-N 3.44Å; T693-E695 PolarHBondContact O-N 3.22Å; E695-R698 WeakPolarHBondContact O-CB 3.16Å; E695-R698 PolarHBondContact O-N 3.25Å; E695-R698 IonicContact OE1-CZ 3.19Å; E695-R698 IonicContact OE1-NE 3.59Å; E695-R698 IonicContact OE1-NH2 3.94Å; E695-R698 PolarHBondContact OE1-NH2 3.46Å; E695-R698 IonicContact OE2-CZ 3.65Å; E695-R698 VanDerWaalsContact OE2-CZ 3.25Å; E695-R698 IonicContact OE2-NE 2.96Å; E695-R698 PolarHBondContact OE2-NE 3.06Å; E695-R698 IonicContact OE2-NH2 3.69Å; E695-R698 PolarHBondContact OE2-NH2 3.16Å; E695-Q699 WeakPolarHBondContact O-CG 3.31Å; E695-Q699 PolarHBondContact O-N 3.17Å; E695-Q699 PolarHBondContact OE1-NE2 3.21Å
696	A	96	Very high	93.5	Very high	58 Å²	58	93.5 Å²	93.5	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-68	-41.1	173.5	0	0	0	0	0	112.1	K692 T693 R698 Q699 L700	K692-A696 PolarHBondContact O-N 3Å; T693-A696 PolarHBondContact O-N 3.47Å; T693-A696 VanDerWaalsContact O-N 3.12Å; A696-R698 VanDerWaalsContact C-N 3.32Å; A696-R698 PolarHBondContact O-N 3.29Å; A696-Q699 PolarHBondContact O-N 3.39Å; A696-L700 PolarHBondContact O-N 3.02Å
697	E	94	Very high	93.5	Very high	125 Å²	125	92.8 Å²	92.8	58%	0.584	47%	0.473	S	S	*	.	H	α-helix	trans	-59.7	-41.8	171.6	-72.4	174.7	176	0	0	111.7	T693 L700 A701	T693-E697 WeakPolarHBondContact O-CG 3.39Å; T693-E697 PolarHBondContact O-N 3.29Å; E697-L700 PolarHBondContact O-N 3.04Å; E697-A701 PolarHBondContact O-N 2.8Å
698	R	94.3	Very high	93.6	Very high	113 Å²	113	94.1 Å²	94.1	43%	0.426	48%	0.476	S	S	.	.	H	α-helix	trans	-61	-45.1	174.6	-177.2	174.4	75.6	85.1	-0.7	111.9	A694 E695 A696 L700 A701 E702	A694-R698 WeakPolarHBondContact O-CB 3.38Å; A694-R698 PolarHBondContact O-N 2.64Å; E695-R698 WeakPolarHBondContact O-CB 3.16Å; E695-R698 PolarHBondContact O-N 3.25Å; E695-R698 IonicContact OE1-CZ 3.19Å; E695-R698 IonicContact OE1-NE 3.59Å; E695-R698 IonicContact OE1-NH2 3.94Å; E695-R698 PolarHBondContact OE1-NH2 3.46Å; E695-R698 IonicContact OE2-CZ 3.65Å; E695-R698 VanDerWaalsContact OE2-CZ 3.25Å; E695-R698 IonicContact OE2-NE 2.96Å; E695-R698 PolarHBondContact OE2-NE 3.06Å; E695-R698 IonicContact OE2-NH2 3.69Å; E695-R698 PolarHBondContact OE2-NH2 3.16Å; A696-R698 VanDerWaalsContact C-N 3.32Å; A696-R698 PolarHBondContact O-N 3.29Å; R698-L700 PolarHBondContact O-N 2.9Å; R698-A701 PolarHBondContact O-N 2.89Å; R698-E702 VanDerWaalsContact CG-OE1 3.27Å; R698-E702 WeakPolarHBondContact CG-OE1 3.31Å; R698-E702 IonicContact CZ-OE1 2.69Å; R698-E702 IonicContact NE-OE1 2.87Å; R698-E702 VanDerWaalsContact NH1-CD 3.31Å; R698-E702 IonicContact NH1-OE1 2.83Å; R698-E702 PolarHBondContact NH1-OE1 2.71Å; R698-E702 IonicContact NH1-OE2 3.5Å; R698-E702 PolarHBondContact NH1-OE2 3.32Å; R698-E702 WeakPolarHBondContact O-CG 3.38Å; R698-E702 PolarHBondContact O-N 3.12Å
699	Q	95.2	Very high	93.5	Very high	92 Å²	92	91.3 Å²	91.3	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-37.4	178.1	-70.7	171.5	20	0	0	112.1	E695 A696 E702 Q703	E695-Q699 WeakPolarHBondContact O-CG 3.31Å; E695-Q699 PolarHBondContact O-N 3.17Å; E695-Q699 PolarHBondContact OE1-NE2 3.21Å; A696-Q699 PolarHBondContact O-N 3.39Å; Q699-E702 PolarHBondContact O-N 3.06Å; Q699-Q703 WeakPolarHBondContact O-CG 3.38Å; Q699-Q703 PolarHBondContact O-N 2.82Å
700	L	95.7	Very high	93.4	Very high	90 Å²	90	93.9 Å²	93.9	47%	0.471	47%	0.471	S	S	.	.	H	α-helix	trans	-65.7	-37.1	172.8	-178.2	63.4	0	0	0	112.3	A696 E697 R698 K704	A696-L700 PolarHBondContact O-N 3.02Å; E697-L700 PolarHBondContact O-N 3.04Å; R698-L700 PolarHBondContact O-N 2.9Å; L700-K704 WeakPolarHBondContact O-CG 3.4Å; L700-K704 PolarHBondContact O-N 3.14Å; L700-K704 VanDerWaalsContact O-N 3.14Å
701	A	89.4	Confident	93.4	Very high	56 Å²	56	93.3 Å²	93.3	46%	0.463	47%	0.467	S	S	.	.	H	α-helix	trans	-68.2	-39.5	174.1	0	0	0	0	0	112.2	E697 R698 K704 W705	E697-A701 PolarHBondContact O-N 2.8Å; R698-A701 PolarHBondContact O-N 2.89Å; A701-K704 PolarHBondContact O-N 3.34Å; A701-W705 WeakPolarHBondContact O-CB 3.35Å; A701-W705 PolarHBondContact O-N 2.97Å
702	E	92.5	Very high	93.5	Very high	81 Å²	81	96.4 Å²	96.4	38%	0.379	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-43	175.4	-76.1	166.3	-169	0	0	111.3	R698 Q699 K704 W705 E706	R698-E702 VanDerWaalsContact CG-OE1 3.27Å; R698-E702 WeakPolarHBondContact CG-OE1 3.31Å; R698-E702 IonicContact CZ-OE1 2.69Å; R698-E702 IonicContact NE-OE1 2.87Å; R698-E702 VanDerWaalsContact NH1-CD 3.31Å; R698-E702 IonicContact NH1-OE1 2.83Å; R698-E702 PolarHBondContact NH1-OE1 2.71Å; R698-E702 IonicContact NH1-OE2 3.5Å; R698-E702 PolarHBondContact NH1-OE2 3.32Å; R698-E702 WeakPolarHBondContact O-CG 3.38Å; R698-E702 PolarHBondContact O-N 3.12Å; Q699-E702 PolarHBondContact O-N 3.06Å; E702-K704 PolarHBondContact O-N 3.29Å; E702-W705 WeakPolarHBondContact O-CB 3.38Å; E702-W705 PolarHBondContact O-N 2.87Å; E702-E706 PolarHBondContact O-N 3.16Å
703	Q	95.7	Very high	93.3	Very high	124 Å²	124	97 Å²	97	58%	0.579	48%	0.477	S	S	*	.	H	α-helix	trans	-60.8	-43.2	173.3	-73.4	176.2	9.7	0	0	113.1	Q699 W705 E706 E707	Q699-Q703 WeakPolarHBondContact O-CG 3.38Å; Q699-Q703 PolarHBondContact O-N 2.82Å; Q703-W705 VanDerWaalsContact C-N 3.32Å; Q703-W705 PolarHBondContact O-N 3.46Å; Q703-E706 PolarHBondContact O-N 3.47Å; Q703-E707 PolarHBondContact O-N 2.9Å
704	K	95.2	Very high	93.2	Very high	122 Å²	122	98.7 Å²	98.7	53%	0.53	48%	0.479	S	S	.	.	H	α-helix	trans	-64.3	-37.3	175.2	-73.4	174.6	179.8	-178.2	0	111.9	L700 A701 E702 E707 T708	L700-K704 WeakPolarHBondContact O-CG 3.4Å; L700-K704 PolarHBondContact O-N 3.14Å; L700-K704 VanDerWaalsContact O-N 3.14Å; A701-K704 PolarHBondContact O-N 3.34Å; E702-K704 PolarHBondContact O-N 3.29Å; K704-E707 PolarHBondContact O-N 3.36Å; K704-T708 WeakPolarHBondContact O-CG2 3.49Å; K704-T708 PolarHBondContact O-N 3.25Å; K704-T708 PolarHBondContact O-OG1 3.15Å
705	W	88.4	Confident	93.2	Very high	146 Å²	146	101.8 Å²	101.8	55%	0.553	49%	0.488	S	S	*	.	H	α-helix	trans	-64.1	-47.8	174	-174.3	84	0	0	0	111.4	A701 E702 Q703 E707 T708 E709	A701-W705 WeakPolarHBondContact O-CB 3.35Å; A701-W705 PolarHBondContact O-N 2.97Å; E702-W705 WeakPolarHBondContact O-CB 3.38Å; E702-W705 PolarHBondContact O-N 2.87Å; Q703-W705 VanDerWaalsContact C-N 3.32Å; Q703-W705 PolarHBondContact O-N 3.46Å; W705-E707 VanDerWaalsContact C-N 3.3Å; W705-E707 PolarHBondContact O-N 3.13Å; W705-T708 PolarHBondContact O-N 3.02Å; W705-T708 PolarHBondContact O-OG1 2.85Å; W705-E709 HydrophobicContact CH2-CB 4.49Å; W705-E709 HydrophobicContact CH2-CG 4.14Å; W705-E709 HydrophobicContact CZ2-CG 4.34Å; W705-E709 WeakPolarHBondContact O-CB 3.38Å; W705-E709 PolarHBondContact O-N 3.04Å
706	E	95.1	Very high	92.8	Very high	106 Å²	106	104.8 Å²	104.8	50%	0.495	50%	0.5	S	S	.	.	H	α-helix	trans	-59.9	-37.7	174.9	-72.1	-174.4	-179.5	0	0	113	E702 Q703 E709 R710	E702-E706 PolarHBondContact O-N 3.16Å; Q703-E706 PolarHBondContact O-N 3.47Å; E706-E709 PolarHBondContact O-N 3.31Å; E706-R710 VanDerWaalsContact O-CB 3.29Å; E706-R710 WeakPolarHBondContact O-CB 3.33Å; E706-R710 PolarHBondContact O-N 3.03Å
707	E	95.1	Very high	92.3	Very high	80 Å²	80	103.8 Å²	103.8	37%	0.374	50%	0.495	S	S	.	.	H	α-helix	trans	-66.1	-43.5	176.2	-162.5	-157.9	138.4	0	0	112	Q703 K704 W705 R710 K711	Q703-E707 PolarHBondContact O-N 2.9Å; K704-E707 PolarHBondContact O-N 3.36Å; W705-E707 VanDerWaalsContact C-N 3.3Å; W705-E707 PolarHBondContact O-N 3.13Å; E707-R710 PolarHBondContact O-N 3.35Å; E707-K711 WeakPolarHBondContact O-CG 3.45Å; E707-K711 PolarHBondContact O-N 3.01Å; E707-K711 VanDerWaalsContact OE1-CE 3.31Å; E707-K711 WeakPolarHBondContact OE1-CE 3.45Å; E707-K711 IonicContact OE1-NZ 2.7Å; E707-K711 PolarHBondContact OE1-NZ 3.05Å
708	T	90.1	Very high	91.7	Very high	83 Å²	83	102.2 Å²	102.2	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-69.3	-34.5	175.7	55.3	0	0	0	0	112.6	K704 W705 K711 L712	K704-T708 WeakPolarHBondContact O-CG2 3.49Å; K704-T708 PolarHBondContact O-N 3.25Å; K704-T708 PolarHBondContact O-OG1 3.15Å; W705-T708 PolarHBondContact O-N 3.02Å; W705-T708 PolarHBondContact O-OG1 2.85Å; T708-K711 PolarHBondContact O-N 3.01Å; T708-L712 WeakPolarHBondContact O-CB 3.4Å; T708-L712 PolarHBondContact O-N 3.23Å
709	E	93.2	Very high	90.9	Very high	65 Å²	65	102.3 Å²	102.3	30%	0.304	49%	0.494	S	S	.	.	H	α-helix	trans	-69.1	-35.2	174.3	-158.8	-132.2	-173.8	0	0	111.8	W705 E706 L712 K713	W705-E709 HydrophobicContact CH2-CB 4.49Å; W705-E709 HydrophobicContact CH2-CG 4.14Å; W705-E709 HydrophobicContact CZ2-CG 4.34Å; W705-E709 WeakPolarHBondContact O-CB 3.38Å; W705-E709 PolarHBondContact O-N 3.04Å; E706-E709 PolarHBondContact O-N 3.31Å; E709-L712 PolarHBondContact O-N 2.89Å; E709-K713 VanDerWaalsContact O-CG 3.31Å; E709-K713 WeakPolarHBondContact O-CG 3.46Å; E709-K713 PolarHBondContact O-N 3.22Å; E709-K713 WeakPolarHBondContact OE1-CE 3.45Å; E709-K713 IonicContact OE1-NZ 3.56Å; E709-K713 PolarHBondContact OE1-NZ 3.42Å; E709-K713 WeakPolarHBondContact OE2-CE 3.47Å; E709-K713 IonicContact OE2-NZ 3.6Å; E709-K713 PolarHBondContact OE2-NZ 2.96Å
710	R	95.2	Very high	90	Very high	142 Å²	142	101.3 Å²	101.3	54%	0.536	49%	0.492	S	S	.	.	H	α-helix	trans	-63.8	-47.1	170.7	-168.7	-175.6	-53.6	119.1	10.1	111.5	E706 E707 L712 K713 E714	E706-R710 VanDerWaalsContact O-CB 3.29Å; E706-R710 WeakPolarHBondContact O-CB 3.33Å; E706-R710 PolarHBondContact O-N 3.03Å; E707-R710 PolarHBondContact O-N 3.35Å; R710-L712 VanDerWaalsContact C-N 3.33Å; R710-L712 PolarHBondContact O-N 2.92Å; R710-K713 WeakPolarHBondContact O-CB 3.38Å; R710-K713 PolarHBondContact O-N 3.19Å; R710-E714 PolarHBondContact O-N 3.37Å
711	K	93.8	Very high	89	Confident	104 Å²	104	103.1 Å²	103.1	45%	0.452	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-40.2	174.1	-75.4	168.8	169	172.5	0	111.9	E707 T708 E714 L715	E707-K711 WeakPolarHBondContact O-CG 3.45Å; E707-K711 PolarHBondContact O-N 3.01Å; E707-K711 VanDerWaalsContact OE1-CE 3.31Å; E707-K711 WeakPolarHBondContact OE1-CE 3.45Å; E707-K711 IonicContact OE1-NZ 2.7Å; E707-K711 PolarHBondContact OE1-NZ 3.05Å; T708-K711 PolarHBondContact O-N 3.01Å; K711-E714 PolarHBondContact O-N 3.43Å; K711-L715 WeakPolarHBondContact O-CD1 3.42Å; K711-L715 PolarHBondContact O-N 2.89Å
712	L	91.8	Very high	87.9	Confident	125 Å²	125	105.9 Å²	105.9	65%	0.654	51%	0.506	S	S	*	.	H	α-helix	trans	-61.9	-43.3	174.1	-170	83.3	0	0	0	111.8	T708 E709 R710 E714 K716	T708-L712 WeakPolarHBondContact O-CB 3.4Å; T708-L712 PolarHBondContact O-N 3.23Å; E709-L712 PolarHBondContact O-N 2.89Å; R710-L712 VanDerWaalsContact C-N 3.33Å; R710-L712 PolarHBondContact O-N 2.92Å; L712-E714 VanDerWaalsContact C-N 3.34Å; L712-K716 VanDerWaalsContact O-CB 3.3Å; L712-K716 WeakPolarHBondContact O-CB 3.43Å; L712-K716 PolarHBondContact O-N 2.9Å
713	K	91.9	Very high	86.3	Confident	120 Å²	120	103.7 Å²	103.7	52%	0.522	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-37	176.1	-74.4	165.8	179.5	169.2	0	112.1	E709 R710 G717	E709-K713 VanDerWaalsContact O-CG 3.31Å; E709-K713 WeakPolarHBondContact O-CG 3.46Å; E709-K713 PolarHBondContact O-N 3.22Å; E709-K713 WeakPolarHBondContact OE1-CE 3.45Å; E709-K713 IonicContact OE1-NZ 3.56Å; E709-K713 PolarHBondContact OE1-NZ 3.42Å; E709-K713 WeakPolarHBondContact OE2-CE 3.47Å; E709-K713 IonicContact OE2-NZ 3.6Å; E709-K713 PolarHBondContact OE2-NZ 2.96Å; R710-K713 WeakPolarHBondContact O-CB 3.38Å; R710-K713 PolarHBondContact O-N 3.19Å; K713-G717 PolarHBondContact O-N 2.98Å
714	E	92.4	Very high	84.6	Confident	117 Å²	117	106.9 Å²	106.9	55%	0.547	51%	0.506	S	S	.	.	H	α-helix	trans	-67.6	-50.9	174.8	-173.4	178.9	174.4	0	0	112	R710 K711 L712 K716 G717 N718	R710-E714 PolarHBondContact O-N 3.37Å; K711-E714 PolarHBondContact O-N 3.43Å; L712-E714 VanDerWaalsContact C-N 3.34Å; E714-K716 VanDerWaalsContact C-N 3.27Å; E714-K716 PolarHBondContact O-N 3.34Å; E714-G717 PolarHBondContact O-N 2.6Å; E714-G717 VanDerWaalsContact O-N 3.08Å; E714-N718 VanDerWaalsContact O-CG 3.31Å; E714-N718 PolarHBondContact O-N 3.47Å; E714-N718 PolarHBondContact O-ND2 2.93Å
715	L	89	Confident	82.6	Confident	120 Å²	120	104.6 Å²	104.6	63%	0.628	50%	0.502	S	S	*	.	H	α-helix	trans	-58.1	-39.9	174.2	-91.4	81.4	0	0	0	111.7	K711 N718 F719	K711-L715 WeakPolarHBondContact O-CD1 3.42Å; K711-L715 PolarHBondContact O-N 2.89Å; L715-N718 PolarHBondContact O-N 2.98Å; L715-F719 WeakPolarHBondContact O-CB 3.23Å; L715-F719 PolarHBondContact O-N 3.42Å
716	K	84.2	Confident	80.8	Confident	132 Å²	132	104.3 Å²	104.3	57%	0.574	52%	0.519	S	S	*	.	H	α-helix	trans	-65.2	-42.4	174.2	-176.3	175.8	177.3	-179.5	0	112	L712 E714 N718 F719 D720	L712-K716 VanDerWaalsContact O-CB 3.3Å; L712-K716 WeakPolarHBondContact O-CB 3.43Å; L712-K716 PolarHBondContact O-N 2.9Å; E714-K716 VanDerWaalsContact C-N 3.27Å; E714-K716 PolarHBondContact O-N 3.34Å; K716-N718 VanDerWaalsContact C-N 3.31Å; K716-N718 PolarHBondContact O-N 3.39Å; K716-F719 PolarHBondContact O-N 2.95Å; K716-D720 WeakPolarHBondContact CE-OD2 3.42Å; K716-D720 WeakPolarHBondContact O-CB 3.33Å; K716-D720 PolarHBondContact O-N 2.88Å
717	G	85.4	Confident	78.7	Confident	37 Å²	37	102.4 Å²	102.4	38%	0.381	53%	0.527	S	S	.	.	H	α-helix	trans	-60.4	-40.9	174.9	0	0	0	0	0	112.4	K713 E714 D720 M721	K713-G717 PolarHBondContact O-N 2.98Å; E714-G717 PolarHBondContact O-N 2.6Å; E714-G717 VanDerWaalsContact O-N 3.08Å; G717-D720 PolarHBondContact O-N 3.34Å; G717-M721 VanDerWaalsContact O-CB 3.31Å; G717-M721 WeakPolarHBondContact O-CB 3.5Å; G717-M721 PolarHBondContact O-N 3.46Å
718	N	82.2	Confident	76.6	Confident	92 Å²	92	102.8 Å²	102.8	49%	0.492	54%	0.536	S	S	.	.	H	α-helix	trans	-66.4	-40.2	175	-67.1	-23	0	0	0	111.6	E714 L715 K716 M721 L722	E714-N718 VanDerWaalsContact O-CG 3.31Å; E714-N718 PolarHBondContact O-N 3.47Å; E714-N718 PolarHBondContact O-ND2 2.93Å; L715-N718 PolarHBondContact O-N 2.98Å; K716-N718 VanDerWaalsContact C-N 3.31Å; K716-N718 PolarHBondContact O-N 3.39Å; N718-M721 PolarHBondContact O-N 2.96Å; N718-L722 WeakPolarHBondContact O-CB 3.37Å; N718-L722 VanDerWaalsContact O-CG 3.28Å; N718-L722 WeakPolarHBondContact O-CG 3.47Å; N718-L722 PolarHBondContact O-N 3.5Å
719	F	77.1	Confident	74.7	Confident	114 Å²	114	102.7 Å²	102.7	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-46.5	173.2	-178.3	-92.3	0	0	0	112.5	L715 K716 M721 L722 C723 L731	L715-F719 WeakPolarHBondContact O-CB 3.23Å; L715-F719 PolarHBondContact O-N 3.42Å; K716-F719 PolarHBondContact O-N 2.95Å; F719-M721 PolarHBondContact O-N 3.29Å; F719-L722 PolarHBondContact O-N 2.9Å; F719-C723 WeakPolarHBondContact O-CB 3.28Å; F719-C723 PolarHBondContact O-N 3.03Å; F719-C723 PolarHBondContact O-SG 2.91Å; F719-L731 HydrophobicContact CZ-CD1 3.85Å
720	D	76.6	Confident	72.7	Confident	72 Å²	72	105 Å²	105	39%	0.385	55%	0.55	S	S	.	.	H	α-helix	trans	-65	-27.9	176.7	-75.3	-23.1	0	0	0	111.7	K716 G717 R724	K716-D720 WeakPolarHBondContact CE-OD2 3.42Å; K716-D720 WeakPolarHBondContact O-CB 3.33Å; K716-D720 PolarHBondContact O-N 2.88Å; G717-D720 PolarHBondContact O-N 3.34Å; D720-R724 WeakPolarHBondContact O-CD 3.48Å; D720-R724 VanDerWaalsContact O-CG 3.24Å; D720-R724 WeakPolarHBondContact O-CG 3.45Å; D720-R724 PolarHBondContact O-N 3.08Å
721	M	73.9	Confident	70.4	Confident	128 Å²	128	104.4 Å²	104.4	63%	0.631	56%	0.557	S	S	*	*	H	α-helix	trans	-73	-46.6	170.9	-172.3	68	76.1	0	0	111.7	G717 N718 F719 C723 R724 T725	G717-M721 VanDerWaalsContact O-CB 3.31Å; G717-M721 WeakPolarHBondContact O-CB 3.5Å; G717-M721 PolarHBondContact O-N 3.46Å; N718-M721 PolarHBondContact O-N 2.96Å; F719-M721 PolarHBondContact O-N 3.29Å; M721-C723 PolarHBondContact O-N 2.97Å; M721-R724 CarbonylContact O-C 3.59Å; M721-R724 WeakPolarHBondContact O-CA 3.44Å; M721-R724 PolarHBondContact O-N 3.14Å; M721-T725 PolarHBondContact O-N 2.97Å; M721-T725 PolarHBondContact O-OG1 3.31Å
722	L	66.4	Low	68.4	Low	114 Å²	114	107 Å²	107	60%	0.597	56%	0.564	S	S	*	*	H	α-helix	trans	-59.8	-32	174.7	-74.1	164.7	0	0	0	112.1	N718 F719 R724 T725 T728	N718-L722 WeakPolarHBondContact O-CB 3.37Å; N718-L722 VanDerWaalsContact O-CG 3.28Å; N718-L722 WeakPolarHBondContact O-CG 3.47Å; N718-L722 PolarHBondContact O-N 3.5Å; F719-L722 PolarHBondContact O-N 2.9Å; L722-R724 VanDerWaalsContact C-N 3.27Å; L722-R724 PolarHBondContact O-N 3.08Å; L722-T725 WeakPolarHBondContact CA-OG1 3.35Å; L722-T725 PolarHBondContact O-OG1 3.37Å; L722-T728 PolarHBondContact O-OG1 3.42Å
723	C	60	Low	66.4	Low	34 Å²	34	104.3 Å²	104.3	23%	0.23	56%	0.555	C	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	5.3	172.2	-62.1	0	0	0	0	114.4	F719 M721 R732	F719-C723 WeakPolarHBondContact O-CB 3.28Å; F719-C723 PolarHBondContact O-N 3.03Å; F719-C723 PolarHBondContact O-SG 2.91Å; M721-C723 PolarHBondContact O-N 2.97Å; C723-R732 PolarHBondContact O-NH2 2.77Å
724	R	60.1	Low	64.4	Low	192 Å²	192	108.9 Å²	108.9	73%	0.725	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	-15.8	174.3	-76.9	174.5	-178.1	-103.8	1.4	113.6	D720 M721 L722	D720-R724 WeakPolarHBondContact O-CD 3.48Å; D720-R724 VanDerWaalsContact O-CG 3.24Å; D720-R724 WeakPolarHBondContact O-CG 3.45Å; D720-R724 PolarHBondContact O-N 3.08Å; M721-R724 CarbonylContact O-C 3.59Å; M721-R724 WeakPolarHBondContact O-CA 3.44Å; M721-R724 PolarHBondContact O-N 3.14Å; L722-R724 VanDerWaalsContact C-N 3.27Å; L722-R724 PolarHBondContact O-N 3.08Å
725	T	53.6	Low	62.6	Low	74 Å²	74	105.9 Å²	105.9	45%	0.454	57%	0.571	S	S	.	*	S	Bend	trans	-54	130	168.6	-2.1	0	0	0	0	110.4	M721 L722 G727	M721-T725 PolarHBondContact O-N 2.97Å; M721-T725 PolarHBondContact O-OG1 3.31Å; L722-T725 WeakPolarHBondContact CA-OG1 3.35Å; L722-T725 PolarHBondContact O-OG1 3.37Å; T725-G727 PolarHBondContact O-N 3.34Å
726	P	49.4	Very low	61.1	Low	139 Å²	139	105.4 Å²	105.4	90%	0.903	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	76.8	179.8	31	-35.1	0	0	0	110.9
727	G	51.5	Low	59.8	Low	66 Å²	66	103.1 Å²	103.1	68%	0.68	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173.9	-12.8	-179.3	0	0	0	0	0	116.2	T725 P729	T725-G727 PolarHBondContact O-N 3.34Å; G727-P729 WeakPolarHBondContact O-CD 3.41Å
728	T	50.4	Low	58.5	Low	89 Å²	89	110.1 Å²	110.1	55%	0.546	58%	0.582	S	S	.	*			trans	-118	82.9	-173	37.7	0	0	0	0	112.6	L722 L730	L722-T728 PolarHBondContact O-OG1 3.42Å; T728-L730 PolarHBondContact O-N 2.91Å
729	P	51.3	Low	57.5	Low	81 Å²	81	113.9 Å²	113.9	53%	0.526	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	57.4	-162.6	39.1	-39.3	0	0	0	114.7	G727	G727-P729 WeakPolarHBondContact O-CD 3.41Å
730	L	50	Low	57.1	Low	112 Å²	112	111.4 Å²	111.4	59%	0.586	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	-22	-177.8	-155.8	60.5	0	0	0	118.7	T728 L752	T728-L730 PolarHBondContact O-N 2.91Å; L730-L752 HydrophobicContact CD1-CD1 3.71Å; L730-L752 HydrophobicContact CD1-CD2 3.8Å; L730-L752 HydrophobicContact CD1-CG 4.37Å; L730-L752 HydrophobicContact CD2-CD2 3.6Å; L730-L752 HydrophobicContact CG-CD2 4.2Å
731	L	46.4	Very low	56.9	Low	131 Å²	131	111.5 Å²	111.5	69%	0.686	59%	0.593	S	S	*	*	S	Bend	trans	-110	54.7	-174.8	-66.6	-179.6	0	0	0	114	F719	F719-L731 HydrophobicContact CZ-CD1 3.85Å
732	R	51.9	Low	56.7	Low	158 Å²	158	111.6 Å²	111.6	60%	0.596	60%	0.595	S	S	*	*	S	Bend	trans	-137.6	110.6	164.9	-163.5	166.2	-60.1	166.6	10.9	111.1	C723	C723-R732 PolarHBondContact O-NH2 2.77Å
733	S	49.8	Very low	57	Low	68 Å²	68	110.6 Å²	110.6	48%	0.476	60%	0.598	S	S	.	*			trans	34.8	105.4	164.8	46.4	0	0	0	0	118.2	G735 E736	S733-G735 PolarHBondContact O-N 3.38Å; S733-E736 PolarHBondContact O-N 2.84Å
734	Y	51.2	Low	57.4	Low	217 Å²	217	114.9 Å²	114.9	85%	0.851	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-45	-30.5	171.9	-77.3	-87.6	0	0	0	115.4	E736 L737	Y734-E736 PolarHBondContact O-N 3.15Å; Y734-L737 PolarHBondContact O-N 3.32Å
735	G	54.3	Low	58	Low	53 Å²	53	108.1 Å²	108.1	55%	0.546	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-68	-9.2	179.1	0	0	0	0	0	116.2	S733	S733-G735 PolarHBondContact O-N 3.38Å
736	E	56.5	Low	59	Low	111 Å²	111	110 Å²	110	52%	0.519	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-87.1	-15.8	174.7	-66.7	-171.8	160.7	0	0	113.1	S733 Y734 E738 Q739	S733-E736 PolarHBondContact O-N 2.84Å; Y734-E736 PolarHBondContact O-N 3.15Å; E736-E738 PolarHBondContact O-N 2.88Å; E736-Q739 PolarHBondContact O-N 3.39Å
737	L	57.7	Low	60.3	Low	83 Å²	83	107.1 Å²	107.1	44%	0.435	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-66.9	-35.2	-177.3	-84.5	79.2	0	0	0	113.1	Y734 Q739 L740 L745	Y734-L737 PolarHBondContact O-N 3.32Å; L737-Q739 PolarHBondContact O-N 3.27Å; L737-L740 PolarHBondContact O-N 2.83Å; L737-L745 HydrophobicContact CB-CD2 4.29Å; L737-L745 HydrophobicContact CD2-CD2 4.27Å; L737-L745 HydrophobicContact CG-CD2 4.21Å
738	E	57.7	Low	61.4	Low	184 Å²	184	106.4 Å²	106.4	86%	0.86	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-66.5	-16.5	-178.7	-62.2	-172.9	152	0	0	113.4	E736	E736-E738 PolarHBondContact O-N 2.88Å
739	Q	61.5	Low	62.8	Low	171 Å²	171	106.4 Å²	106.4	80%	0.799	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-98	-1.4	179.8	-57.8	-174	25.4	0	0	113.2	E736 L737	E736-Q739 PolarHBondContact O-N 3.39Å; L737-Q739 PolarHBondContact O-N 3.27Å
740	L	67.7	Low	64.1	Low	62 Å²	62	105.7 Å²	105.7	33%	0.325	55%	0.548	S	S	.	.	S	Bend	trans	-91.3	136.7	-178.6	-69.8	172.3	0	0	0	112	L737 K744 L745 I748	L737-L740 PolarHBondContact O-N 2.83Å; L740-K744 HydrophobicContact CD2-CD 4.29Å; L740-L745 HydrophobicContact CB-CD2 4.16Å; L740-L745 HydrophobicContact CB-CG 4.11Å; L740-L745 HydrophobicContact CD1-CD2 4.36Å; L740-I748 HydrophobicContact CD1-CD1 4.23Å
741	P	73.4	Confident	65.3	Low	74 Å²	74	104.6 Å²	104.6	48%	0.481	54%	0.54	S	S	.	.			trans	-56.8	141.4	172.7	-25.7	34.3	0	0	0	112.5	S743 K744 L745	P741-S743 PolarHBondContact O-N 2.99Å; P741-K744 WeakPolarHBondContact O-CA 3.09Å; P741-K744 WeakPolarHBondContact O-CB 3.44Å; P741-K744 PolarHBondContact O-N 3Å; P741-L745 PolarHBondContact O-N 2.83Å; P741-L745 VanDerWaalsContact O-N 3.13Å
742	L	69.3	Low	66.8	Low	130 Å²	130	100.7 Å²	100.7	68%	0.681	52%	0.519	S	S	*	.	H	α-helix	trans	-50.8	-34.6	179.7	-78	164.7	0	0	0	113.8	K744 L745 H746	L742-K744 PolarHBondContact O-N 2.91Å; L742-L745 HydrophobicContact CD2-CD1 4.49Å; L742-L745 PolarHBondContact O-N 3.44Å; L742-H746 PolarHBondContact O-CD2 3.16Å; L742-H746 VanDerWaalsContact O-CD2 3.24Å; L742-H746 PolarHBondContact O-N 3.48Å
743	S	74	Confident	67.9	Low	93 Å²	93	100.5 Å²	100.5	65%	0.65	52%	0.519	S	S	*	.	H	α-helix	trans	-64.2	-35.1	175.1	51.9	0	0	0	0	113.5	P741 S747	P741-S743 PolarHBondContact O-N 2.99Å; S743-S747 WeakPolarHBondContact O-CB 3.21Å; S743-S747 PolarHBondContact O-N 2.6Å; S743-S747 VanDerWaalsContact O-N 3.13Å
744	K	68.3	Low	69.2	Low	125 Å²	125	101.1 Å²	101.1	54%	0.543	52%	0.517	S	S	.	.	H	α-helix	trans	-72.9	-39.9	171.4	-73.5	-168.3	175.8	-176.4	0	111.5	L740 P741 L742 H746 S747 I748	L740-K744 HydrophobicContact CD2-CD 4.29Å; P741-K744 WeakPolarHBondContact O-CA 3.09Å; P741-K744 WeakPolarHBondContact O-CB 3.44Å; P741-K744 PolarHBondContact O-N 3Å; L742-K744 PolarHBondContact O-N 2.91Å; K744-H746 PolarHBondContact O-N 3.17Å; K744-S747 WeakPolarHBondContact O-CB 3.06Å; K744-S747 PolarHBondContact O-N 2.92Å; K744-I748 VanDerWaalsContact O-CG1 3.31Å; K744-I748 WeakPolarHBondContact O-CG1 3.13Å; K744-I748 PolarHBondContact O-N 3.02Å
745	L	71.8	Confident	70.4	Confident	49 Å²	49	93.2 Å²	93.2	26%	0.257	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-42.1	177.1	-69.5	170.2	0	0	0	111.8	L737 L740 P741 L742 I748 Q749	L737-L745 HydrophobicContact CB-CD2 4.29Å; L737-L745 HydrophobicContact CD2-CD2 4.27Å; L737-L745 HydrophobicContact CG-CD2 4.21Å; L740-L745 HydrophobicContact CB-CD2 4.16Å; L740-L745 HydrophobicContact CB-CG 4.11Å; L740-L745 HydrophobicContact CD1-CD2 4.36Å; P741-L745 PolarHBondContact O-N 2.83Å; P741-L745 VanDerWaalsContact O-N 3.13Å; L742-L745 HydrophobicContact CD2-CD1 4.49Å; L742-L745 PolarHBondContact O-N 3.44Å; L745-I748 PolarHBondContact O-N 3.4Å; L745-Q749 WeakPolarHBondContact O-CB 3.45Å; L745-Q749 PolarHBondContact O-N 3.07Å
746	H	75.2	Confident	71.2	Confident	113 Å²	113	95.7 Å²	95.7	52%	0.523	49%	0.489	S	S	.	.	H	α-helix	trans	-67.9	-34.3	172.6	-74	-57	0	0	0	113.4	L742 K744 Q749 S750	L742-H746 PolarHBondContact O-CD2 3.16Å; L742-H746 VanDerWaalsContact O-CD2 3.24Å; L742-H746 PolarHBondContact O-N 3.48Å; K744-H746 PolarHBondContact O-N 3.17Å; H746-Q749 PolarHBondContact ND1-OE1 3.14Å; H746-Q749 PolarHBondContact O-N 3.28Å; H746-S750 WeakPolarHBondContact O-CB 3.47Å; H746-S750 PolarHBondContact O-N 2.96Å
747	S	76.3	Confident	72.2	Confident	80 Å²	80	95.8 Å²	95.8	56%	0.559	49%	0.493	S	S	*	.	H	α-helix	trans	-63.1	-44.6	173	-170.7	0	0	0	0	111.6	S743 K744 S750 Q751	S743-S747 WeakPolarHBondContact O-CB 3.21Å; S743-S747 PolarHBondContact O-N 2.6Å; S743-S747 VanDerWaalsContact O-N 3.13Å; K744-S747 WeakPolarHBondContact O-CB 3.06Å; K744-S747 PolarHBondContact O-N 2.92Å; S747-S750 PolarHBondContact O-N 2.77Å; S747-Q751 PolarHBondContact O-N 3.36Å
748	I	74.8	Confident	72.9	Confident	51 Å²	51	97.1 Å²	97.1	26%	0.262	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-44.1	174.3	-66.3	161.7	0	0	0	110.6	L740 K744 L745 S750 Q751 L752	L740-I748 HydrophobicContact CD1-CD1 4.23Å; K744-I748 VanDerWaalsContact O-CG1 3.31Å; K744-I748 WeakPolarHBondContact O-CG1 3.13Å; K744-I748 PolarHBondContact O-N 3.02Å; L745-I748 PolarHBondContact O-N 3.4Å; I748-S750 VanDerWaalsContact C-N 3.29Å; I748-S750 PolarHBondContact O-N 2.98Å; I748-Q751 PolarHBondContact O-N 3.31Å; I748-L752 HydrophobicContact CG2-CD1 3.79Å; I748-L752 HydrophobicContact CG2-CG 4.3Å; I748-L752 WeakPolarHBondContact O-CB 3.44Å; I748-L752 VanDerWaalsContact O-CG 3.26Å; I748-L752 WeakPolarHBondContact O-CG 3.47Å; I748-L752 PolarHBondContact O-N 3.49Å
749	Q	79.7	Confident	73.5	Confident	89 Å²	89	93 Å²	93	42%	0.416	48%	0.483	S	S	.	.	H	α-helix	trans	-59.1	-37.7	175.3	-176.1	-176.5	37.3	0	0	112.7	L745 H746 R753	L745-Q749 WeakPolarHBondContact O-CB 3.45Å; L745-Q749 PolarHBondContact O-N 3.07Å; H746-Q749 PolarHBondContact ND1-OE1 3.14Å; H746-Q749 PolarHBondContact O-N 3.28Å; Q749-R753 PolarHBondContact O-N 3.05Å
750	S	78.5	Confident	73.6	Confident	65 Å²	65	90 Å²	90	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-72.8	-40.8	176.4	-165.7	0	0	0	0	112	H746 S747 I748 R753 N754	H746-S750 WeakPolarHBondContact O-CB 3.47Å; H746-S750 PolarHBondContact O-N 2.96Å; S747-S750 PolarHBondContact O-N 2.77Å; I748-S750 VanDerWaalsContact C-N 3.29Å; I748-S750 PolarHBondContact O-N 2.98Å; S750-R753 PolarHBondContact O-N 3.37Å; S750-N754 PolarHBondContact O-N 2.67Å
751	Q	76.3	Confident	73.3	Confident	89 Å²	89	89.2 Å²	89.2	42%	0.416	48%	0.48	S	S	.	.	H	α-helix	trans	-60.7	-48.1	176.7	-171.9	61.7	49.1	0	0	110.5	S747 I748 R753 N754 D755	S747-Q751 PolarHBondContact O-N 3.36Å; I748-Q751 PolarHBondContact O-N 3.31Å; Q751-R753 PolarHBondContact O-N 3.04Å; Q751-N754 WeakPolarHBondContact O-CB 3.42Å; Q751-N754 PolarHBondContact O-N 3.05Å; Q751-N754 VanDerWaalsContact O-N 3.09Å; Q751-D755 PolarHBondContact NE2-OD1 3.19Å; Q751-D755 PolarHBondContact O-N 3.33Å
752	L	76.1	Confident	72.3	Confident	49 Å²	49	92.7 Å²	92.7	26%	0.257	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-24.3	-179.6	-68.6	171.4	0	0	0	114.3	L730 I748 L756	L730-L752 HydrophobicContact CD1-CD1 3.71Å; L730-L752 HydrophobicContact CD1-CD2 3.8Å; L730-L752 HydrophobicContact CD1-CG 4.37Å; L730-L752 HydrophobicContact CD2-CD2 3.6Å; L730-L752 HydrophobicContact CG-CD2 4.2Å; I748-L752 HydrophobicContact CG2-CD1 3.79Å; I748-L752 HydrophobicContact CG2-CG 4.3Å; I748-L752 WeakPolarHBondContact O-CB 3.44Å; I748-L752 VanDerWaalsContact O-CG 3.26Å; I748-L752 WeakPolarHBondContact O-CG 3.47Å; I748-L752 PolarHBondContact O-N 3.49Å; L752-L756 WeakPolarHBondContact O-CB 3.38Å; L752-L756 WeakPolarHBondContact O-CD1 3.42Å; L752-L756 VanDerWaalsContact O-CG 3.23Å; L752-L756 WeakPolarHBondContact O-CG 3.47Å; L752-L756 PolarHBondContact O-N 3.36Å
753	R	76.6	Confident	71.4	Confident	154 Å²	154	95.9 Å²	95.9	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-72.8	-50.3	170.7	-75.8	176.4	175.1	171.6	-1.8	110.9	Q749 S750 Q751 D755 L756 D757	Q749-R753 PolarHBondContact O-N 3.05Å; S750-R753 PolarHBondContact O-N 3.37Å; Q751-R753 PolarHBondContact O-N 3.04Å; R753-D755 VanDerWaalsContact C-N 3.25Å; R753-D755 PolarHBondContact O-N 2.61Å; R753-L756 PolarHBondContact O-N 3.22Å; R753-L756 VanDerWaalsContact O-N 3.09Å; R753-D757 VanDerWaalsContact O-CG 3.24Å; R753-D757 PolarHBondContact O-N 2.93Å
754	N	77.3	Confident	70	Confident	82 Å²	82	103.3 Å²	103.3	44%	0.439	52%	0.521	S	S	.	.	H	α-helix	trans	-58.5	-38.6	176.1	-60.3	-19.5	0	0	0	112	S750 Q751 D757 L758	S750-N754 PolarHBondContact O-N 2.67Å; Q751-N754 WeakPolarHBondContact O-CB 3.42Å; Q751-N754 PolarHBondContact O-N 3.05Å; Q751-N754 VanDerWaalsContact O-N 3.09Å; N754-D757 PolarHBondContact O-N 3.33Å; N754-L758 WeakPolarHBondContact O-CB 3.36Å; N754-L758 PolarHBondContact O-N 3.44Å
755	D	74.8	Confident	70	Confident	50 Å²	50	102.2 Å²	102.2	27%	0.267	52%	0.52	S	S	.	.	H	α-helix	trans	-67.6	-36.1	177.4	-61.6	-16.9	0	0	0	111.7	Q751 R753 I759	Q751-D755 PolarHBondContact NE2-OD1 3.19Å; Q751-D755 PolarHBondContact O-N 3.33Å; R753-D755 VanDerWaalsContact C-N 3.25Å; R753-D755 PolarHBondContact O-N 2.61Å; D755-I759 WeakPolarHBondContact O-CD1 3.48Å; D755-I759 VanDerWaalsContact O-CG1 3.26Å; D755-I759 WeakPolarHBondContact O-CG1 3.47Å; D755-I759 PolarHBondContact O-N 3.49Å
756	L	72.9	Confident	70	Confident	106 Å²	106	105 Å²	105	56%	0.555	53%	0.534	S	S	*	.	H	α-helix	trans	-70.8	-44.8	173.4	-78.2	168	0	0	0	111.9	L752 R753 L758 I759 D760	L752-L756 WeakPolarHBondContact O-CB 3.38Å; L752-L756 WeakPolarHBondContact O-CD1 3.42Å; L752-L756 VanDerWaalsContact O-CG 3.23Å; L752-L756 WeakPolarHBondContact O-CG 3.47Å; L752-L756 PolarHBondContact O-N 3.36Å; R753-L756 PolarHBondContact O-N 3.22Å; R753-L756 VanDerWaalsContact O-N 3.09Å; L756-L758 PolarHBondContact O-N 3.43Å; L756-I759 PolarHBondContact O-N 2.95Å; L756-D760 PolarHBondContact O-N 3.16Å
757	D	75.9	Confident	69.7	Low	113 Å²	113	104.6 Å²	104.6	60%	0.604	54%	0.535	S	S	*	.	H	α-helix	trans	-60.8	-32.2	177.4	-64.8	-31.9	0	0	0	111.3	R753 N754 G761	R753-D757 VanDerWaalsContact O-CG 3.24Å; R753-D757 PolarHBondContact O-N 2.93Å; N754-D757 PolarHBondContact O-N 3.33Å; D757-G761 PolarHBondContact O-N 3.12Å; D757-G761 VanDerWaalsContact O-N 3.07Å
758	L	73.1	Confident	69.3	Low	110 Å²	110	106 Å²	106	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-66.9	-45.6	169.6	-93.4	159.8	0	0	0	112.8	N754 L756 G761 D762	N754-L758 WeakPolarHBondContact O-CB 3.36Å; N754-L758 PolarHBondContact O-N 3.44Å; L756-L758 PolarHBondContact O-N 3.43Å; L758-G761 WeakPolarHBondContact O-CA 3.27Å; L758-G761 PolarHBondContact O-N 3.31Å; L758-G761 VanDerWaalsContact O-N 3.15Å; L758-D762 PolarHBondContact O-N 3.18Å
759	I	70.6	Confident	68.9	Low	97 Å²	97	109.4 Å²	109.4	50%	0.497	55%	0.55	S	S	.	*	H	α-helix	trans	-69.2	-33.2	-177.8	-70.6	164.8	0	0	0	112.4	D755 L756 R763	D755-I759 WeakPolarHBondContact O-CD1 3.48Å; D755-I759 VanDerWaalsContact O-CG1 3.26Å; D755-I759 WeakPolarHBondContact O-CG1 3.47Å; D755-I759 PolarHBondContact O-N 3.49Å; L756-I759 PolarHBondContact O-N 2.95Å; I759-R763 WeakPolarHBondContact O-CG 3.39Å
760	D	64	Low	68.2	Low	108 Å²	108	110.8 Å²	110.8	58%	0.578	56%	0.559	S	S	*	*	H	α-helix	trans	-79.3	-22.3	171.2	-82.5	-20.3	0	0	0	112.3	L756	L756-D760 PolarHBondContact O-N 3.16Å
761	G	59.8	Low	67.5	Low	46 Å²	46	114.1 Å²	114.1	47%	0.474	57%	0.567	S	S	.	*	H	α-helix	trans	-67.1	-43.3	170.2	0	0	0	0	0	113.4	D757 L758 R763	D757-G761 PolarHBondContact O-N 3.12Å; D757-G761 VanDerWaalsContact O-N 3.07Å; L758-G761 WeakPolarHBondContact O-CA 3.27Å; L758-G761 PolarHBondContact O-N 3.31Å; L758-G761 VanDerWaalsContact O-N 3.15Å; G761-R763 PolarHBondContact O-N 3.22Å
762	D	52.8	Low	66.8	Low	147 Å²	147	116 Å²	116	79%	0.786	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	13	176.4	-84.2	-12.2	0	0	0	113.9	L758	L758-D762 PolarHBondContact O-N 3.18Å
763	R	50.8	Low	66	Low	198 Å²	198	121.6 Å²	121.6	75%	0.747	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	14.2	-177.2	-77.2	-177.7	173.3	-136.7	-0.6	115.2	I759 G761	I759-R763 WeakPolarHBondContact O-CG 3.39Å; G761-R763 PolarHBondContact O-N 3.22Å
764	Q	43.8	Very low	65.1	Low	248 Å²	248	118.6 Å²	118.6	100%	1.159	61%	0.607	S	S	*	*			trans	-106.1	0	174.9	-65	-167.9	6.7	0	0	112.8

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