A0A096NUA1_PAPAN Loading...

Transcriptional repressor scratch 1

AlphaFold DB (Q9BWW7), UniProt , Accession A0A096NUA1, Species PAPAN (Papio anubis, Olive baboon), Gene SCRT1, Length 348 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	33.3	Very low	34.6	Very low	229 Å²	229	165.5 Å²	165.5	100%	1.128	82%	0.82	S	S	*	*				0	97.1	0	-61.2	-50.7	-175.6	0	0	110.2
2	P	38	Very low	35.1	Very low	126 Å²	126	160.6 Å²	160.6	82%	0.818	80%	0.798	S	S	*	*			trans	-68.5	134	171.2	29.8	-32.9	0	0	0	109.7	S4	P2-S4 PolarHBondContact O-N 3.36Å
3	R	32.9	Very low	35.4	Very low	230 Å²	230	157.2 Å²	157.2	87%	0.868	78%	0.784	S	S	*	*			trans	-68	114.8	179	-82.3	178.7	154.5	128.3	-5.3	110	F5	R3-F5 WeakPolarHBondContact O-CD2 3.49Å; R3-F5 PolarHBondContact O-N 3.33Å; R3-F5 VanDerWaalsContact O-N 3.15Å
4	S	35.4	Very low	36.3	Very low	106 Å²	106	152.2 Å²	152.2	74%	0.741	78%	0.78	S	S	*	*			trans	-67.4	107.6	173.7	39.5	0	0	0	0	110.2	P2 L6	P2-S4 PolarHBondContact O-N 3.36Å; S4-L6 VanDerWaalsContact C-N 3.26Å; S4-L6 PolarHBondContact O-N 3.03Å
5	F	31.4	Very low	37	Very low	190 Å²	190	149.9 Å²	149.9	83%	0.833	76%	0.762	S	S	*	*			trans	-71.2	84.6	171.8	-74.9	-86.8	0	0	0	109.8	R3 V7	R3-F5 WeakPolarHBondContact O-CD2 3.49Å; R3-F5 PolarHBondContact O-N 3.33Å; R3-F5 VanDerWaalsContact O-N 3.15Å; F5-V7 PolarHBondContact O-N 3.09Å
6	L	33.4	Very low	38.1	Very low	157 Å²	157	144.2 Å²	144.2	82%	0.822	74%	0.74	S	S	*	*			trans	-62.6	88.3	164.7	-90.6	165.9	0	0	0	109	S4 K8	S4-L6 VanDerWaalsContact C-N 3.26Å; S4-L6 PolarHBondContact O-N 3.03Å; L6-K8 PolarHBondContact O-N 3.1Å
7	V	35.3	Very low	39.3	Very low	129 Å²	129	140.5 Å²	140.5	78%	0.782	73%	0.73	S	S	*	*			trans	-60.1	101.6	166.4	179.3	0	0	0	0	106.8	F5 K9	F5-V7 PolarHBondContact O-N 3.09Å; V7-K9 PolarHBondContact O-N 3.24Å; V7-K9 VanDerWaalsContact O-N 3.1Å
8	K	33.3	Very low	40.6	Very low	184 Å²	184	135.9 Å²	135.9	80%	0.8	72%	0.716	S	S	*	*			trans	-54.5	120.1	176.9	-69	-177.4	177.1	-177.9	0	107.9	L6 V10	L6-K8 PolarHBondContact O-N 3.1Å; K8-V10 VanDerWaalsContact C-N 3.31Å; K8-V10 PolarHBondContact O-N 3.44Å
9	K	34.3	Very low	41.9	Very low	206 Å²	206	133.6 Å²	133.6	90%	0.896	70%	0.704	S	S	*	*			trans	-60.8	95.9	170.6	-77.4	-175.7	174.7	-178.8	0	108.1	V7 K11	V7-K9 PolarHBondContact O-N 3.24Å; V7-K9 VanDerWaalsContact O-N 3.1Å; K9-K11 PolarHBondContact O-N 3.38Å
10	V	39.2	Very low	42.9	Very low	106 Å²	106	130 Å²	130	64%	0.642	69%	0.685	S	S	*	*			trans	-66.8	107	167.7	177.9	0	0	0	0	106.2	K8 L12	K8-V10 VanDerWaalsContact C-N 3.31Å; K8-V10 PolarHBondContact O-N 3.44Å; V10-L12 PolarHBondContact O-N 2.92Å
11	K	34.6	Very low	43.9	Very low	158 Å²	158	129.5 Å²	129.5	69%	0.687	68%	0.679	S	S	*	*			trans	-60.6	101.6	174.7	-99.8	172.8	143.3	-90.4	0	109.1	K9 D13	K9-K11 PolarHBondContact O-N 3.38Å; K11-D13 VanDerWaalsContact CB-OD1 3.3Å; K11-D13 WeakPolarHBondContact CB-OD1 3.32Å; K11-D13 WeakPolarHBondContact CD-OD2 3.46Å; K11-D13 WeakPolarHBondContact CG-OD1 3.41Å; K11-D13 IonicContact NZ-OD1 3.5Å; K11-D13 IonicContact NZ-OD2 2.59Å; K11-D13 PolarHBondContact NZ-OD2 3.49Å; K11-D13 PolarHBondContact O-N 3.48Å
12	L	39.6	Very low	45.8	Very low	106 Å²	106	121.1 Å²	121.1	56%	0.555	64%	0.643	S	S	*	*			trans	-79.9	49.3	173	-83.3	164.9	0	0	0	110.4	V10 A14	V10-L12 PolarHBondContact O-N 2.92Å; L12-A14 PolarHBondContact O-N 3.49Å
13	D	39.1	Very low	47	Very low	117 Å²	117	115.9 Å²	115.9	63%	0.626	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	8.9	-173.4	-62.5	-4.9	0	0	0	113.4	K11	K11-D13 VanDerWaalsContact CB-OD1 3.3Å; K11-D13 WeakPolarHBondContact CB-OD1 3.32Å; K11-D13 WeakPolarHBondContact CD-OD2 3.46Å; K11-D13 WeakPolarHBondContact CG-OD1 3.41Å; K11-D13 IonicContact NZ-OD1 3.5Å; K11-D13 IonicContact NZ-OD2 2.59Å; K11-D13 PolarHBondContact NZ-OD2 3.49Å; K11-D13 PolarHBondContact O-N 3.48Å
14	A	48.4	Very low	48.5	Very low	87 Å²	87	107.6 Å²	107.6	72%	0.719	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-2.4	-173.6	0	0	0	0	0	114.4	L12	L12-A14 PolarHBondContact O-N 3.49Å
15	F	46.3	Very low	49.9	Very low	117 Å²	117	103.9 Å²	103.9	51%	0.513	56%	0.558	S	S	.	*	S	Bend	trans	-138	143.6	174.5	-82	-92.5	0	0	0	109.6	A221	F15-A221 HydrophobicContact CD2-CB 4.02Å; F15-A221 HydrophobicContact CE2-CB 3.5Å; F15-A221 HydrophobicContact CZ-CB 4.33Å
16	S	55.6	Low	51.5	Low	59 Å²	59	102.4 Å²	102.4	41%	0.413	55%	0.547	S	S	.	.			trans	-67.3	143.8	173	84.5	0	0	0	0	109.7	A18 D19	S16-A18 PolarHBondContact O-N 2.84Å; S16-D19 WeakPolarHBondContact CB-OD2 3.39Å; S16-D19 PolarHBondContact O-N 3.31Å; S16-D19 VanDerWaalsContact OG-CG 3.26Å; S16-D19 PolarHBondContact OG-N 3.02Å; S16-D19 PolarHBondContact OG-OD2 2.93Å
17	S	58.6	Low	52.6	Low	82 Å²	82	95.2 Å²	95.2	57%	0.573	51%	0.511	S	S	*	.	H	α-helix	trans	-59.6	-37.9	172.3	70.8	0	0	0	0	110.1	D19 L20 E21	S17-D19 VanDerWaalsContact C-N 3.29Å; S17-D19 PolarHBondContact O-N 3.09Å; S17-L20 WeakPolarHBondContact O-CB 3.36Å; S17-L20 PolarHBondContact O-N 2.98Å; S17-E21 WeakPolarHBondContact CB-OE2 3.48Å; S17-E21 WeakPolarHBondContact O-CB 3.47Å; S17-E21 VanDerWaalsContact O-CG 3.3Å; S17-E21 WeakPolarHBondContact O-CG 3.49Å; S17-E21 PolarHBondContact O-N 3.36Å; S17-E21 PolarHBondContact OG-OE2 3.11Å
18	A	62.6	Low	53.9	Low	57 Å²	57	96.6 Å²	96.6	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-55.8	-34.4	179	0	0	0	0	0	114	S16 E21 S22	S16-A18 PolarHBondContact O-N 2.84Å; A18-E21 PolarHBondContact N-OE2 3.16Å; A18-S22 WeakPolarHBondContact O-CA 3.49Å; A18-S22 WeakPolarHBondContact O-CB 3.25Å; A18-S22 PolarHBondContact O-N 2.86Å
19	D	64.8	Low	55.2	Low	92 Å²	92	91.7 Å²	91.7	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-43.9	174.5	-72.3	-64.6	0	0	0	111.7	S16 S17 A23	S16-D19 WeakPolarHBondContact CB-OD2 3.39Å; S16-D19 PolarHBondContact O-N 3.31Å; S16-D19 VanDerWaalsContact OG-CG 3.26Å; S16-D19 PolarHBondContact OG-N 3.02Å; S16-D19 PolarHBondContact OG-OD2 2.93Å; S17-D19 VanDerWaalsContact C-N 3.29Å; S17-D19 PolarHBondContact O-N 3.09Å; D19-A23 WeakPolarHBondContact O-CB 3.47Å; D19-A23 PolarHBondContact O-N 3.34Å
20	L	62.8	Low	56.3	Low	61 Å²	61	87.6 Å²	87.6	32%	0.319	48%	0.479	S	S	.	.	H	α-helix	trans	-71	-43	178.4	-170.9	67.6	0	0	0	110.9	S17 A23 Y24 M234 M237 L241	S17-L20 WeakPolarHBondContact O-CB 3.36Å; S17-L20 PolarHBondContact O-N 2.98Å; L20-A23 PolarHBondContact O-N 3.39Å; L20-Y24 WeakPolarHBondContact O-CB 3.32Å; L20-Y24 PolarHBondContact O-N 3.06Å; L20-M234 HydrophobicContact CD1-CE 3.83Å; L20-M237 HydrophobicContact CD1-CE 3.83Å; L20-L241 HydrophobicContact CD1-CD1 3.82Å; L20-L241 HydrophobicContact CD2-CD1 4.13Å; L20-L241 HydrophobicContact CG-CD1 4.27Å
21	E	64	Low	57.1	Low	121 Å²	121	85.3 Å²	85.3	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-66.7	-35.7	177.7	-68.8	172	119.8	0	0	111.6	S17 A18 G25	S17-E21 WeakPolarHBondContact CB-OE2 3.48Å; S17-E21 WeakPolarHBondContact O-CB 3.47Å; S17-E21 VanDerWaalsContact O-CG 3.3Å; S17-E21 WeakPolarHBondContact O-CG 3.49Å; S17-E21 PolarHBondContact O-N 3.36Å; S17-E21 PolarHBondContact OG-OE2 3.11Å; A18-E21 PolarHBondContact N-OE2 3.16Å; E21-G25 WeakPolarHBondContact O-CA 3.31Å; E21-G25 PolarHBondContact O-N 2.98Å
22	S	72.4	Confident	57.7	Low	53 Å²	53	80.6 Å²	80.6	37%	0.371	46%	0.459	S	S	.	.	H	α-helix	trans	-71.7	-36.3	174	-174	0	0	0	0	112.5	A18 R26	A18-S22 WeakPolarHBondContact O-CA 3.49Å; A18-S22 WeakPolarHBondContact O-CB 3.25Å; A18-S22 PolarHBondContact O-N 2.86Å; S22-R26 WeakPolarHBondContact O-CB 3.32Å; S22-R26 PolarHBondContact O-N 3.25Å; S22-R26 VanDerWaalsContact O-N 3.11Å; S22-R26 PolarHBondContact O-NE 3.41Å; S22-R26 VanDerWaalsContact O-NE 3.11Å; S22-R26 PolarHBondContact OG-NH2 3.25Å
23	A	63.9	Low	57.7	Low	16 Å²	16	78.5 Å²	78.5	13%	0.132	46%	0.457	C	S	.	.	H	α-helix	trans	-70.7	-42	173.5	0	0	0	0	0	111.8	D19 L20 A27 A238	D19-A23 WeakPolarHBondContact O-CB 3.47Å; D19-A23 PolarHBondContact O-N 3.34Å; L20-A23 PolarHBondContact O-N 3.39Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.37Å; A23-A238 HydrophobicContact CB-CB 4.14Å
24	Y	63.1	Low	57.6	Low	55 Å²	55	78.9 Å²	78.9	22%	0.216	47%	0.466	C	S	.	.	H	α-helix	trans	-69.1	-38	176.2	-178.1	-98.4	0	0	0	112.2	L20 A27 R28 L242 D245	L20-Y24 WeakPolarHBondContact O-CB 3.32Å; L20-Y24 PolarHBondContact O-N 3.06Å; Y24-A27 PolarHBondContact O-N 3.15Å; Y24-R28 VanDerWaalsContact O-CB 3.29Å; Y24-R28 WeakPolarHBondContact O-CB 3.37Å; Y24-R28 PolarHBondContact O-N 3Å; Y24-L242 HydrophobicContact CD2-CD1 4.06Å; Y24-L242 HydrophobicContact CE2-CD1 3.31Å; Y24-L242 HydrophobicContact CE2-CG 4.47Å; Y24-D245 HydrophobicContact CE2-CB 4.4Å; Y24-D245 WeakPolarHBondContact OH-CB 3.25Å
25	G	65.2	Low	57.2	Low	29 Å²	29	82.4 Å²	82.4	30%	0.299	47%	0.472	S	S	.	.	H	α-helix	trans	-63	-50.7	174.4	0	0	0	0	0	111.9	E21 R28 S29	E21-G25 WeakPolarHBondContact O-CA 3.31Å; E21-G25 PolarHBondContact O-N 2.98Å; G25-R28 PolarHBondContact O-N 3.44Å; G25-R28 VanDerWaalsContact O-N 3.16Å; G25-S29 PolarHBondContact O-N 3.19Å; G25-S29 PolarHBondContact O-OG 3.44Å
26	R	64.3	Low	56.7	Low	158 Å²	158	84.6 Å²	84.6	60%	0.596	48%	0.483	S	S	*	.	H	α-helix	trans	-57.2	-50.8	171.9	-81	176.4	-87.4	-174.5	-10.2	111.6	S22 R28 S29 D30	S22-R26 WeakPolarHBondContact O-CB 3.32Å; S22-R26 PolarHBondContact O-N 3.25Å; S22-R26 VanDerWaalsContact O-N 3.11Å; S22-R26 PolarHBondContact O-NE 3.41Å; S22-R26 VanDerWaalsContact O-NE 3.11Å; S22-R26 PolarHBondContact OG-NH2 3.25Å; R26-R28 PolarHBondContact O-N 3.18Å; R26-R28 VanDerWaalsContact O-N 3.12Å; R26-S29 PolarHBondContact O-N 3.21Å; R26-D30 PolarHBondContact O-N 2.78Å
27	A	57.8	Low	55.7	Low	7 Å²	7	88.2 Å²	88.2	6%	0.058	50%	0.498	C	S	.	.	H	α-helix	trans	-55.4	-30.7	176.2	0	0	0	0	0	114.1	A23 Y24 L31 A238 M239	A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.37Å; Y24-A27 PolarHBondContact O-N 3.15Å; A27-L31 WeakPolarHBondContact O-CD1 3.28Å; A27-L31 WeakPolarHBondContact O-CG 3.25Å; A27-A238 HydrophobicContact CB-CB 4.48Å; A27-M239 HydrophobicContact CB-CE 3.55Å; A27-M239 WeakPolarHBondContact O-CE 3.27Å
28	R	61.3	Low	54.6	Low	157 Å²	157	92.7 Å²	92.7	59%	0.592	51%	0.507	S	S	*	.	H	α-helix	trans	-80	-41.1	175.4	-172.6	-179.8	-178.9	91.5	0.4	112	Y24 G25 R26 L31 G32	Y24-R28 VanDerWaalsContact O-CB 3.29Å; Y24-R28 WeakPolarHBondContact O-CB 3.37Å; Y24-R28 PolarHBondContact O-N 3Å; G25-R28 PolarHBondContact O-N 3.44Å; G25-R28 VanDerWaalsContact O-N 3.16Å; R26-R28 PolarHBondContact O-N 3.18Å; R26-R28 VanDerWaalsContact O-N 3.12Å; R28-L31 PolarHBondContact O-N 2.94Å; R28-G32 PolarHBondContact O-N 3.36Å; R28-G32 VanDerWaalsContact O-N 3.16Å
29	S	61.5	Low	53.1	Low	82 Å²	82	92.9 Å²	92.9	57%	0.573	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-41.3	175.6	-63.6	0	0	0	0	112.5	G25 R26 L31 G32 A33	G25-S29 PolarHBondContact O-N 3.19Å; G25-S29 PolarHBondContact O-OG 3.44Å; R26-S29 PolarHBondContact O-N 3.21Å; S29-L31 PolarHBondContact O-N 3.04Å; S29-L31 VanDerWaalsContact O-N 3.1Å; S29-G32 CarbonylContact O-C 3.54Å; S29-G32 PolarHBondContact O-N 2.82Å; S29-A33 PolarHBondContact O-N 3.15Å
30	D	58.3	Low	51.7	Low	120 Å²	120	98.4 Å²	98.4	64%	0.642	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21	176	-63.6	-28.6	0	0	0	112.8	R26	R26-D30 PolarHBondContact O-N 2.78Å
31	L	54.4	Low	50.5	Low	57 Å²	57	104.2 Å²	104.2	30%	0.298	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.8	-8.9	175.5	-69.1	171.2	0	0	0	113.8	A27 R28 S29 M239 L242	A27-L31 WeakPolarHBondContact O-CD1 3.28Å; A27-L31 WeakPolarHBondContact O-CG 3.25Å; R28-L31 PolarHBondContact O-N 2.94Å; S29-L31 PolarHBondContact O-N 3.04Å; S29-L31 VanDerWaalsContact O-N 3.1Å; L31-M239 HydrophobicContact CD1-CE 3.71Å; L31-M239 HydrophobicContact CG-CE 4.18Å; L31-L242 HydrophobicContact CD1-CD2 3.23Å
32	G	47.2	Very low	49	Very low	59 Å²	59	101.8 Å²	101.8	61%	0.608	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-12.8	171.8	0	0	0	0	0	113.7	R28 S29 P34	R28-G32 PolarHBondContact O-N 3.36Å; R28-G32 VanDerWaalsContact O-N 3.16Å; S29-G32 CarbonylContact O-C 3.54Å; S29-G32 PolarHBondContact O-N 2.82Å; G32-P34 WeakPolarHBondContact O-CD 3.18Å
33	A	39.3	Very low	47.2	Very low	63 Å²	63	105.7 Å²	105.7	52%	0.521	57%	0.573	S	S	.	*	S	Bend	trans	-60.5	123	175.1	0	0	0	0	0	110.8	S29 L35	S29-A33 PolarHBondContact O-N 3.15Å; A33-L35 PolarHBondContact O-N 3.03Å; A33-L35 VanDerWaalsContact O-N 3.11Å
34	P	38.6	Very low	45.6	Very low	124 Å²	124	116 Å²	116	81%	0.805	61%	0.61	S	S	*	*			trans	-62.5	115.6	175.8	-22.8	34.3	0	0	0	110.7	G32 H36	G32-P34 WeakPolarHBondContact O-CD 3.18Å; P34-H36 PolarHBondContact O-N 2.87Å
35	L	38.8	Very low	44.3	Very low	161 Å²	161	119 Å²	119	84%	0.843	64%	0.635	S	S	*	*			trans	-60.8	126.4	159.6	-78.4	172	0	0	0	107.1	A33 D37	A33-L35 PolarHBondContact O-N 3.03Å; A33-L35 VanDerWaalsContact O-N 3.11Å; L35-D37 PolarHBondContact O-N 2.88Å
36	H	36.4	Very low	42.8	Very low	163 Å²	163	119.8 Å²	119.8	76%	0.755	64%	0.642	S	S	*	*			trans	-68.4	93.1	-168.9	-149.9	-46.9	0	0	0	110.1	P34 K38	P34-H36 PolarHBondContact O-N 2.87Å; H36-K38 PolarHBondContact O-N 3.48Å
37	D	34.5	Very low	41.4	Very low	136 Å²	136	118.6 Å²	118.6	73%	0.727	66%	0.655	S	S	*	*			trans	-79.4	63.2	-171.6	-138.7	-37.3	0	0	0	111.6	L35 G39	L35-D37 PolarHBondContact O-N 2.88Å; D37-G39 PolarHBondContact O-N 2.89Å
38	K	36.1	Very low	40.2	Very low	176 Å²	176	123.6 Å²	123.6	77%	0.765	69%	0.69	S	S	*	*			trans	-72.4	82	162.4	-74.8	-169.7	175.3	-173.2	0	107.9	H36 Y40	H36-K38 PolarHBondContact O-N 3.48Å; K38-Y40 PolarHBondContact O-N 3.3Å
39	G	30.9	Very low	38.9	Very low	61 Å²	61	121.1 Å²	121.1	63%	0.629	70%	0.696	S	S	*	*			trans	-67.6	97.6	170.5	0	0	0	0	0	111	D37	D37-G39 PolarHBondContact O-N 2.89Å
40	Y	35.5	Very low	37.7	Very low	207 Å²	207	122.3 Å²	122.3	81%	0.812	70%	0.7	S	S	*	*			trans	-146.1	147.7	153.8	-118.1	-89.5	0	0	0	108.9	K38	K38-Y40 PolarHBondContact O-N 3.3Å
41	L	36.2	Very low	36.5	Very low	183 Å²	183	127.2 Å²	127.2	96%	0.958	71%	0.711	S	S	*	*			trans	-102.2	57.7	174.4	-165.3	109.5	0	0	0	110.6
42	S	33.7	Very low	35.3	Very low	70 Å²	70	132.2 Å²	132.2	49%	0.49	74%	0.738	S	S	.	*			trans	-137.2	149.2	165.8	75.7	0	0	0	0	105.8
43	D	34.1	Very low	34.8	Very low	135 Å²	135	132.9 Å²	132.9	72%	0.722	75%	0.745	S	S	*	*			cis	-134.7	50.3	25.2	-48	-61.4	0	0	0	112	V45	D43-V45 PolarHBondContact O-N 3.33Å
44	Y	31.4	Very low	34.5	Very low	232 Å²	232	137.8 Å²	137.8	91%	0.91	76%	0.763	S	S	*	*			trans	-78.9	64.3	-176.9	-138.8	-84	0	0	0	113.4	G46	Y44-G46 PolarHBondContact O-N 2.93Å
45	V	34.1	Very low	34.4	Very low	120 Å²	120	136.6 Å²	136.6	73%	0.727	76%	0.763	S	S	*	*			trans	-65.2	95.7	166.7	-179.2	0	0	0	0	108.2	D43	D43-V45 PolarHBondContact O-N 3.33Å
46	G	34.1	Very low	34.3	Very low	44 Å²	44	138 Å²	138	45%	0.454	77%	0.765	S	S	.	*	P	Polyproline II helix	trans	-63.3	146.9	158.5	0	0	0	0	0	109.4	Y44 S48	Y44-G46 PolarHBondContact O-N 2.93Å; G46-S48 PolarHBondContact O-N 3.43Å
47	P	34.9	Very low	34.1	Very low	133 Å²	133	134.7 Å²	134.7	86%	0.864	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-58.7	128.7	-172.8	22.8	-33.6	0	0	0	112
48	S	32.2	Very low	34.5	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-66.2	140.3	-171.6	-43.8	0	0	0	0	113.7	G46	G46-S48 PolarHBondContact O-N 3.43Å
49	S	35.5	Very low	34.6	Very low	104 Å²	104	132 Å²	132	73%	0.727	77%	0.773	S	S	*	*			trans	-156.3	107.4	153.9	63.2	0	0	0	0	111.1
50	V	36.2	Very low	35.1	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.655	79%	0.785	S	S	*	*			trans	55.9	109.1	159.5	-164.8	0	0	0	0	116.9
51	Y	31.9	Very low	35.2	Very low	223 Å²	223	137.4 Å²	137.4	88%	0.875	79%	0.79	S	S	*	*				179	122.7	112.8	-92.2	-63.2	0	0	0	109.4
52	D	29.7	Very low	35.3	Very low	161 Å²	161	131.8 Å²	131.8	86%	0.861	78%	0.776	S	S	*	*			trans	-75	154.4	177.5	-47.9	-95.9	0	0	0	111.3
53	G	37.6	Very low	35.5	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	79%	0.794	S	S	*	*			trans	167.7	101.6	-179.3	0	0	0	0	0	113.2
54	D	32.5	Very low	35.5	Very low	167 Å²	167	133.4 Å²	133.4	89%	0.893	80%	0.796	S	S	*	*			trans	-76	143.3	-172.9	-45.8	-94.3	0	0	0	113.9
55	A	37	Very low	36.1	Very low	98 Å²	98	128 Å²	128	81%	0.81	79%	0.788	S	S	*	*			trans	-165.5	120.5	151.5	0	0	0	0	0	111.6
56	E	35.6	Very low	36.2	Very low	190 Å²	190	130.3 Å²	130.3	89%	0.888	79%	0.792	S	S	*	*			trans	-61.7	133.3	167.5	-72.9	-173.8	103.9	0	0	110.9
57	A	33.4	Very low	36.5	Very low	94 Å²	94	134 Å²	134	78%	0.777	81%	0.807	S	S	*	*				56.8	98.2	80.9	0	0	0	0	0	114.2
58	A	40.9	Very low	36.4	Very low	98 Å²	98	136.1 Å²	136.1	81%	0.81	81%	0.808	S	S	*	*			trans	-151.2	153.4	163.4	0	0	0	0	0	112.7
59	L	38.6	Very low	36.5	Very low	158 Å²	158	141.8 Å²	141.8	83%	0.827	81%	0.814	S	S	*	*			trans	-52.5	143.4	-171.5	-59.8	68.6	0	0	0	115.4
60	L	41.2	Very low	36.2	Very low	168 Å²	168	141.6 Å²	141.6	88%	0.88	82%	0.818	S	S	*	*				-174.6	136.5	100.2	-97.1	160.9	0	0	0	112.3
61	K	39.3	Very low	36.1	Very low	213 Å²	213	141.4 Å²	141.4	93%	0.926	83%	0.828	S	S	*	*			trans	-87.6	132.3	172.2	-72.4	173.8	177	173.6	0	109.6
62	G	36.4	Very low	36	Very low	65 Å²	65	135.6 Å²	135.6	67%	0.67	83%	0.826	S	S	*	*			trans	-133.2	140.4	166.3	0	0	0	0	0	110
63	P	39.1	Very low	36.2	Very low	132 Å²	132	134.5 Å²	134.5	86%	0.857	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73.6	149.6	-174.4	29.5	-34.7	0	0	0	112.7
64	S	34.4	Very low	35.9	Very low	108 Å²	108	143 Å²	143	76%	0.755	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.1	141.4	173.6	-172.7	0	0	0	0	111
65	P	43.8	Very low	36.2	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-65	143.2	157.3	29.9	-33.2	0	0	0	109.7
66	E	36.1	Very low	36.4	Very low	170 Å²	170	142 Å²	142	79%	0.794	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-84.7	145.8	178.1	-67.9	-167.3	113.8	0	0	112.6	M68	E66-M68 PolarHBondContact O-N 3.01Å; E66-M68 VanDerWaalsContact O-N 3.13Å
67	P	40.5	Very low	36.8	Very low	120 Å²	120	141.4 Å²	141.4	78%	0.779	83%	0.827	S	S	*	*			trans	-80	92.4	175.8	32.5	-33.7	0	0	0	111.3	Y69	P67-Y69 PolarHBondContact O-N 3.32Å
68	M	32.6	Very low	37	Very low	179 Å²	179	140.5 Å²	140.5	88%	0.882	83%	0.827	S	S	*	*			trans	-70.4	60.6	179.5	-64.1	-145	80.8	0	0	114.7	E66	E66-M68 PolarHBondContact O-N 3.01Å; E66-M68 VanDerWaalsContact O-N 3.13Å
69	Y	33.6	Very low	37.3	Very low	232 Å²	232	142 Å²	142	91%	0.91	83%	0.829	S	S	*	*			trans	-150.7	51.8	173.3	-139.4	-85.8	0	0	0	114.1	P67	P67-Y69 PolarHBondContact O-N 3.32Å
70	A	30.5	Very low	37.3	Very low	99 Å²	99	139.2 Å²	139.2	82%	0.818	83%	0.828	S	S	*	*			trans	-139.6	58.7	-176.3	0	0	0	0	0	114.2
71	A	32.8	Very low	37.2	Very low	104 Å²	104	135.8 Å²	135.8	86%	0.86	82%	0.824	S	S	*	*			trans	-150.2	100.5	173	0	0	0	0	0	112.7
72	A	29.5	Very low	37.3	Very low	102 Å²	102	131 Å²	131	84%	0.843	82%	0.824	S	S	*	*			trans	-169.5	19.4	167.2	0	0	0	0	0	116.5
73	V	33.9	Very low	37.5	Very low	137 Å²	137	131.8 Å²	131.8	83%	0.83	83%	0.832	S	S	*	*			trans	-145.8	94.6	176.8	-169	0	0	0	0	113.3
74	R	33.3	Very low	37.6	Very low	252 Å²	252	131.6 Å²	131.6	95%	0.951	83%	0.834	S	S	*	*			trans	163.6	157.2	148.3	-93.3	161.1	176.1	166.3	-1.7	110.1
75	G	38.4	Very low	37.9	Very low	65 Å²	65	131.1 Å²	131.1	67%	0.67	84%	0.836	S	S	*	*			trans	110.6	77.1	-161.5	0	0	0	0	0	109
76	E	39.7	Very low	38.5	Very low	179 Å²	179	131.4 Å²	131.4	84%	0.836	84%	0.839	S	S	*	*				79.3	149.8	71	-61.3	-76	89.1	0	0	112.3
77	L	44.2	Very low	38.9	Very low	177 Å²	177	128.9 Å²	128.9	93%	0.927	84%	0.837	S	S	*	*			trans	-96.3	150.5	-164.2	-57.3	92.8	0	0	0	113.7
78	G	38.3	Very low	39.5	Very low	76 Å²	76	129.1 Å²	129.1	78%	0.784	84%	0.839	S	S	*	*			trans	155	113	164.5	0	0	0	0	0	115.1
79	P	46.1	Very low	40.1	Very low	130 Å²	130	127 Å²	127	84%	0.844	84%	0.835	S	S	*	*			trans	-113.7	144.5	179.8	37.7	-29	0	0	0	114.6
80	A	39.4	Very low	40.7	Very low	99 Å²	99	121.8 Å²	121.8	82%	0.818	83%	0.83	S	S	*	*			trans	-172.1	157	150.6	0	0	0	0	0	114.1
81	A	39.2	Very low	41.2	Very low	96 Å²	96	128.2 Å²	128.2	79%	0.793	83%	0.833	S	S	*	*			trans	61.6	102.6	149.6	0	0	0	0	0	122.2
82	A	41.8	Very low	41.7	Very low	111 Å²	111	128 Å²	128	92%	0.917	82%	0.823	S	S	*	*				41.9	125.8	128.2	0	0	0	0	0	122.5
83	G	40.1	Very low	42.2	Very low	82 Å²	82	131.1 Å²	131.1	85%	0.845	82%	0.82	S	S	*	*			trans	177.4	104	163.9	0	0	0	0	0	113.6
84	S	41.8	Very low	42.3	Very low	129 Å²	129	131.9 Å²	131.9	90%	0.902	82%	0.819	S	S	*	*			trans	-86.2	135.3	-171.4	-51.1	0	0	0	0	114.8
85	A	41.2	Very low	42.5	Very low	97 Å²	97	124.8 Å²	124.8	80%	0.802	82%	0.815	S	S	*	*			trans	175	136.9	137.6	0	0	0	0	0	113.4
86	P	55.4	Low	42.2	Very low	124 Å²	124	128.3 Å²	128.3	81%	0.805	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-99.8	168.2	174.2	38.2	-34.1	0	0	0	114.6
87	P	44.9	Very low	41.9	Very low	116 Å²	116	124.4 Å²	124.4	75%	0.753	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-102.8	164.7	-168.7	39.5	-36.5	0	0	0	116
88	P	53.2	Low	41.3	Very low	126 Å²	126	121 Å²	121	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-87.8	161.8	170	35.9	-34.6	0	0	0	113.7
89	T	45.7	Very low	41	Very low	133 Å²	133	121 Å²	121	82%	0.816	82%	0.818	S	S	*	*			trans	-122.7	157.6	172.2	59.3	0	0	0	0	111.6
90	P	45.8	Very low	40.2	Very low	124 Å²	124	117.8 Å²	117.8	81%	0.805	81%	0.809	S	S	*	*			trans	-122.8	146.5	160.6	35.4	-23.7	0	0	0	114.5
91	R	41	Very low	39.5	Very low	234 Å²	234	124.3 Å²	124.3	88%	0.883	81%	0.814	S	S	*	*			trans	-99.6	-173.7	157.8	-64.6	-174.8	76.7	-162.7	3.1	106.7
92	P	43.5	Very low	39.3	Very low	100 Å²	100	127.3 Å²	127.3	65%	0.649	82%	0.815	S	S	*	*			cis	-144.9	-158.3	18.2	44.7	-21.7	0	0	0	115.9
93	E	38.9	Very low	38.6	Very low	166 Å²	166	130 Å²	130	78%	0.776	81%	0.814	S	S	*	*			trans	39.2	125.7	156	-72.2	164.1	90.8	0	0	121.1
94	L	36.5	Very low	38.1	Very low	153 Å²	153	129.6 Å²	129.6	80%	0.801	81%	0.81	S	S	*	*				77.9	92.7	54.8	-164.3	85.5	0	0	0	113.3
95	A	37.6	Very low	37.3	Very low	104 Å²	104	131 Å²	131	86%	0.86	81%	0.808	S	S	*	*			trans	-140.4	129.9	163.6	0	0	0	0	0	109.6
96	T	31.5	Very low	36.6	Very low	139 Å²	139	130.6 Å²	130.6	85%	0.853	80%	0.804	S	S	*	*			trans	-108.9	116.9	-177.3	-62.9	0	0	0	0	110.2
97	A	33.8	Very low	35.3	Very low	96 Å²	96	129.6 Å²	129.6	79%	0.793	81%	0.806	S	S	*	*			trans	-156.2	132.3	165.2	0	0	0	0	0	113.4
98	A	31.6	Very low	34.5	Very low	107 Å²	107	129.3 Å²	129.3	88%	0.884	80%	0.802	S	S	*	*			trans	21.7	141.7	150.5	0	0	0	0	0	122.8
99	G	31.6	Very low	33.5	Very low	74 Å²	74	129 Å²	129	76%	0.763	80%	0.803	S	S	*	*			trans	102.8	130.5	167.6	0	0	0	0	0	113.1
100	G	30	Very low	32.7	Very low	63 Å²	63	129.9 Å²	129.9	65%	0.649	80%	0.798	S	S	*	*			cis	168.6	65.4	2	0	0	0	0	0	110.8	I102	G100-I102 PolarHBondContact O-N 2.61Å
101	Y	24.6	Very low	32	Very low	236 Å²	236	127.2 Å²	127.2	93%	0.925	79%	0.792	S	S	*	*			trans	-77	106.7	-172.7	-51.9	-77.5	0	0	0	111.8
102	I	35.9	Very low	31.6	Very low	160 Å²	160	126.5 Å²	126.5	82%	0.821	79%	0.791	S	S	*	*			trans	-123.3	146.1	166.3	56.8	173.2	0	0	0	110.3	G100	G100-I102 PolarHBondContact O-N 2.61Å
103	N	26.6	Very low	30.9	Very low	167 Å²	167	126 Å²	126	89%	0.893	80%	0.796	S	S	*	*			trans	-76.1	152.1	-174.6	-55.9	-69.9	0	0	0	111.7
104	G	29.4	Very low	30.7	Very low	73 Å²	73	121.9 Å²	121.9	75%	0.753	79%	0.79	S	S	*	*			trans	-162	116.7	174.8	0	0	0	0	0	111.5
105	D	24.6	Very low	30.4	Very low	160 Å²	160	122.3 Å²	122.3	86%	0.856	79%	0.793	S	S	*	*			trans	-79.7	-179.2	-171.5	-68.3	-87.1	0	0	0	115.2
106	A	26.1	Very low	30.5	Very low	88 Å²	88	119.6 Å²	119.6	73%	0.727	77%	0.771	S	S	*	*			trans	71	48.2	155.3	0	0	0	0	0	118.8	V108	A106-V108 VanDerWaalsContact C-N 3.25Å; A106-V108 PolarHBondContact O-N 2.85Å
107	A	29.5	Very low	30.7	Very low	102 Å²	102	121.2 Å²	121.2	84%	0.843	77%	0.766	S	S	*	*			trans	-73.5	75.1	158.7	0	0	0	0	0	111.9	S109	A107-S109 PolarHBondContact O-N 2.89Å
108	V	26.3	Very low	30.8	Very low	110 Å²	110	121.8 Å²	121.8	67%	0.667	75%	0.751	S	S	*	*			trans	-60.3	119.6	177.5	176.4	0	0	0	0	110.9	A106 E110	A106-V108 VanDerWaalsContact C-N 3.25Å; A106-V108 PolarHBondContact O-N 2.85Å; V108-E110 HydrophobicContact CG1-CB 4.08Å; V108-E110 HydrophobicContact CG1-CG 3.75Å
109	S	34.1	Very low	31.3	Very low	121 Å²	121	120.8 Å²	120.8	85%	0.846	73%	0.73	S	S	*	*			trans	-115.9	49.3	174.9	46.9	0	0	0	0	112	A107	A107-S109 PolarHBondContact O-N 2.89Å
110	E	27.6	Very low	31.8	Very low	151 Å²	151	123 Å²	123	71%	0.706	73%	0.729	S	S	*	*			trans	-66.9	132	168.9	-77.2	-178	158	0	0	111.7	V108	V108-E110 HydrophobicContact CG1-CB 4.08Å; V108-E110 HydrophobicContact CG1-CG 3.75Å
111	G	30.4	Very low	32.3	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	73%	0.732	S	S	*	*			trans	84.3	90.4	161.3	0	0	0	0	0	116.1
112	Y	33.1	Very low	32.6	Very low	219 Å²	219	118.1 Å²	118.1	86%	0.859	72%	0.719	S	S	*	*				-153.7	128	103.1	-124.3	-91.2	0	0	0	110.5	A114	Y112-A114 PolarHBondContact O-N 3.18Å
113	A	29.1	Very low	32.7	Very low	91 Å²	91	120.9 Å²	120.9	75%	0.752	72%	0.719	S	S	*	*			trans	-76	115.1	178.1	0	0	0	0	0	110.1
114	A	35.1	Very low	33.1	Very low	78 Å²	78	117.8 Å²	117.8	65%	0.645	71%	0.71	S	S	*	*			trans	-106.8	129.3	155.8	0	0	0	0	0	107.1	Y112 A116	Y112-A114 PolarHBondContact O-N 3.18Å; A114-A116 PolarHBondContact O-N 2.94Å
115	D	29.4	Very low	33.3	Very low	163 Å²	163	126 Å²	126	87%	0.872	72%	0.719	S	S	*	*			trans	-74.5	57.7	-175.3	-66	-61	0	0	0	113.2	F117	D115-F117 PolarHBondContact O-N 3.34Å
116	A	39.2	Very low	33.7	Very low	47 Å²	47	130 Å²	130	39%	0.388	72%	0.722	S	S	.	*			trans	-76.9	109.9	164.4	0	0	0	0	0	108.7	A114 F118	A114-A116 PolarHBondContact O-N 2.94Å; A116-F118 VanDerWaalsContact C-N 3.32Å; A116-F118 HydrophobicContact CB-CD2 4.24Å; A116-F118 HydrophobicContact CB-CE1 4.2Å; A116-F118 HydrophobicContact CB-CE2 3.61Å; A116-F118 HydrophobicContact CB-CZ 3.58Å; A116-F118 WeakPolarHBondContact O-CD2 3.34Å; A116-F118 PolarHBondContact O-N 2.84Å
117	F	36.2	Very low	34.1	Very low	172 Å²	172	135.4 Å²	135.4	75%	0.754	73%	0.729	S	S	*	*			trans	-70.2	84.8	177.8	-123.5	-93.2	0	0	0	110.5	D115	D115-F117 PolarHBondContact O-N 3.34Å
118	F	36	Very low	34.1	Very low	108 Å²	108	135.4 Å²	135.4	47%	0.474	73%	0.729	S	S	.	*			trans	-75.8	129.4	176.5	-64.3	-67.9	0	0	0	111.1	A116 T120 K229 Y231	A116-F118 VanDerWaalsContact C-N 3.32Å; A116-F118 HydrophobicContact CB-CD2 4.24Å; A116-F118 HydrophobicContact CB-CE1 4.2Å; A116-F118 HydrophobicContact CB-CE2 3.61Å; A116-F118 HydrophobicContact CB-CZ 3.58Å; A116-F118 WeakPolarHBondContact O-CD2 3.34Å; A116-F118 PolarHBondContact O-N 2.84Å; F118-T120 PolarHBondContact O-N 2.87Å; F118-K229 HydrophobicContact CE1-CD 4.01Å; F118-Y231 HydrophobicContact CE1-CE1 4.34Å
119	I	41.8	Very low	34.9	Very low	86 Å²	86	135.7 Å²	135.7	44%	0.441	74%	0.736	S	S	.	*			trans	-81.3	101.7	163.5	-54.7	172.4	0	0	0	106.6	D121 T212 V232	I119-D121 PolarHBondContact O-N 3.09Å; I119-T212 HydrophobicContact CD1-CG2 3.65Å; I119-V232 HydrophobicContact CD1-CG2 4.25Å
120	T	42.9	Very low	34.7	Very low	121 Å²	121	138.1 Å²	138.1	74%	0.742	74%	0.739	S	S	*	*			trans	-68.1	126.9	170	51.8	0	0	0	0	109.2	F118 G122	F118-T120 PolarHBondContact O-N 2.87Å; T120-G122 PolarHBondContact O-N 3.37Å
121	D	40	Very low	35.4	Very low	133 Å²	133	136 Å²	136	71%	0.711	75%	0.747	S	S	*	*			trans	-54.8	122.9	177.8	-178.6	7.2	0	0	0	110.7	I119 R123	I119-D121 PolarHBondContact O-N 3.09Å; D121-R123 PolarHBondContact O-N 2.84Å
122	G	32	Very low	35.5	Very low	64 Å²	64	136.4 Å²	136.4	66%	0.66	75%	0.751	S	S	*	*			trans	-78.4	41.2	-172.6	0	0	0	0	0	113.8	T120 S124	T120-G122 PolarHBondContact O-N 3.37Å; G122-S124 VanDerWaalsContact C-N 3.33Å; G122-S124 PolarHBondContact O-N 3.25Å
123	R	37.3	Very low	36	Very low	217 Å²	217	131.8 Å²	131.8	82%	0.819	75%	0.751	S	S	*	*			trans	-67.3	92.3	173.2	-84.4	-169.8	170.6	-156.9	-4.5	110.4	D121 R125	D121-R123 PolarHBondContact O-N 2.84Å; R123-R125 PolarHBondContact O-N 3.39Å
124	S	34.4	Very low	36.3	Very low	102 Å²	102	132.5 Å²	132.5	71%	0.713	76%	0.757	S	S	*	*			trans	-46.3	106.1	-175.3	-59.8	0	0	0	0	113.8	G122 R126	G122-S124 VanDerWaalsContact C-N 3.33Å; G122-S124 PolarHBondContact O-N 3.25Å; S124-R126 VanDerWaalsContact C-N 3.28Å; S124-R126 PolarHBondContact O-N 3.24Å
125	R	34.2	Very low	36.4	Very low	247 Å²	247	133.9 Å²	133.9	93%	0.932	77%	0.768	S	S	*	*			trans	-64.2	91.7	155.5	-77.8	-173.1	174.5	-174.1	-1.9	108.3	R123 K127	R123-R125 PolarHBondContact O-N 3.39Å; R125-K127 PolarHBondContact O-N 3.37Å
126	R	32.8	Very low	36.8	Very low	242 Å²	242	130.7 Å²	130.7	91%	0.913	77%	0.765	S	S	*	*			trans	-64.5	96.2	167.3	-57	-170	-157.9	-168.1	8	108.2	S124	S124-R126 VanDerWaalsContact C-N 3.28Å; S124-R126 PolarHBondContact O-N 3.24Å
127	K	35.1	Very low	37.3	Very low	203 Å²	203	134 Å²	134	88%	0.883	78%	0.783	S	S	*	*			trans	-88	127	152.6	-87.1	-159.3	168.4	-165.2	0	107.2	R125	R125-K127 PolarHBondContact O-N 3.37Å
128	A	29.5	Very low	37.6	Very low	101 Å²	101	131.4 Å²	131.4	84%	0.835	79%	0.785	S	S	*	*			trans	-75.9	150.4	-177.9	0	0	0	0	0	111.9
129	S	41.8	Very low	38.1	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	80%	0.803	S	S	*	*			trans	-149.5	118.3	165.6	55.3	0	0	0	0	108.4
130	N	31.5	Very low	38.2	Very low	173 Å²	173	133 Å²	133	93%	0.925	82%	0.818	S	S	*	*			trans	-67.4	139.5	-172.2	-80.9	-16.9	0	0	0	113.9
131	A	41.1	Very low	38.2	Very low	106 Å²	106	132.9 Å²	132.9	88%	0.876	82%	0.822	S	S	*	*			trans	-150.4	135.2	143.2	0	0	0	0	0	107.1
132	G	34	Very low	38.4	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	82%	0.822	S	S	*	*			trans	-136.7	144.3	-174.9	0	0	0	0	0	113.1
133	S	41.8	Very low	39	Very low	123 Å²	123	132.8 Å²	132.8	86%	0.86	83%	0.833	S	S	*	*			trans	-149.6	105.6	162.5	-66.2	0	0	0	0	105.5
134	A	35.3	Very low	39.1	Very low	106 Å²	106	126.9 Å²	126.9	88%	0.876	83%	0.831	S	S	*	*				83.3	73.9	74.4	0	0	0	0	0	113.7
135	A	37.6	Very low	40.2	Very low	106 Å²	106	127.5 Å²	127.5	88%	0.876	83%	0.832	S	S	*	*			trans	-166	147.4	152.5	0	0	0	0	0	109.1
136	A	38.6	Very low	40.8	Very low	97 Å²	97	123 Å²	123	80%	0.802	83%	0.827	S	S	*	*			trans	-162.9	-173	-171.1	0	0	0	0	0	109.6
137	P	49.4	Very low	41.4	Very low	117 Å²	117	114.4 Å²	114.4	76%	0.76	81%	0.814	S	S	*	*			cis	-128.2	169	-45.4	31.8	-16.3	0	0	0	112.9
138	S	42.8	Very low	41.9	Very low	116 Å²	116	112.7 Å²	112.7	81%	0.811	81%	0.814	S	S	*	*			trans	-145.5	121.6	153.6	-74.5	0	0	0	0	112.5
139	T	47	Very low	43	Very low	136 Å²	136	112 Å²	112	83%	0.834	81%	0.808	S	S	*	*			trans	-8.9	144.1	152.5	54	0	0	0	0	118.5
140	A	42.9	Very low	43.1	Very low	92 Å²	92	110.2 Å²	110.2	76%	0.76	81%	0.809	S	S	*	*			cis	-166.9	-161.4	-8.2	0	0	0	0	0	106.1
141	S	43.7	Very low	43.7	Very low	119 Å²	119	106.3 Å²	106.3	83%	0.832	81%	0.809	S	S	*	*			cis	-166.6	172.9	-3.3	-132.4	0	0	0	0	106
142	A	44.2	Very low	43.9	Very low	87 Å²	87	105 Å²	105	72%	0.719	81%	0.806	S	S	*	*			cis	-158.9	-163.9	-2.1	0	0	0	0	0	108.7
143	A	43.3	Very low	44.2	Very low	107 Å²	107	105.5 Å²	105.5	88%	0.884	81%	0.811	S	S	*	*			trans	72.2	134.7	167.8	0	0	0	0	0	118.7
144	A	39.5	Very low	44.2	Very low	94 Å²	94	103.6 Å²	103.6	78%	0.777	81%	0.811	S	S	*	*			trans	-165.3	-177.6	-172.6	0	0	0	0	0	108
145	P	58.7	Low	44.8	Very low	114 Å²	114	103.8 Å²	103.8	74%	0.74	81%	0.812	S	S	*	*			cis	-116.1	-127.6	-2.6	24	2.5	0	0	0	110.5
146	D	46.9	Very low	45	Very low	154 Å²	154	102.3 Å²	102.3	82%	0.824	81%	0.808	S	S	*	*			cis	-163.1	178.5	-0.2	-145.6	-19.8	0	0	0	112.8
147	G	45	Very low	45.1	Very low	61 Å²	61	101.8 Å²	101.8	63%	0.629	81%	0.811	S	S	*	*			trans	95.3	99.8	175.9	0	0	0	0	0	113.2
148	D	46	Very low	44.5	Very low	166 Å²	166	108 Å²	108	89%	0.888	82%	0.819	S	S	*	*				73.9	124.6	68.8	-160.5	-85.1	0	0	0	113.3
149	A	51.7	Low	44.6	Very low	87 Å²	87	108.6 Å²	108.6	72%	0.719	82%	0.824	S	S	*	*			cis	-162.2	178.8	-13.4	0	0	0	0	0	111.4
150	G	44.2	Very low	44.1	Very low	79 Å²	79	110.5 Å²	110.5	81%	0.814	83%	0.828	S	S	*	*			trans	124.4	84.9	147.3	0	0	0	0	0	121.5
151	G	43.4	Very low	44.1	Very low	90 Å²	90	110 Å²	110	93%	0.928	83%	0.832	S	S	*	*			trans	66.6	156.6	146.7	0	0	0	0	0	121
152	G	45.2	Very low	43.8	Very low	80 Å²	80	110.5 Å²	110.5	83%	0.825	84%	0.836	S	S	*	*			cis	166.8	127	-10.2	0	0	0	0	0	113.4
153	G	41.7	Very low	43.9	Very low	84 Å²	84	109.9 Å²	109.9	87%	0.866	84%	0.838	S	S	*	*			trans	76.1	146.9	176.1	0	0	0	0	0	115.8
154	G	41.7	Very low	43.8	Very low	84 Å²	84	111.3 Å²	111.3	87%	0.866	84%	0.838	S	S	*	*			cis	102.6	124.1	5.5	0	0	0	0	0	112.2
155	A	47.1	Very low	43.9	Very low	109 Å²	109	110.6 Å²	110.6	90%	0.901	84%	0.839	S	S	*	*			cis	-142.1	161.8	-8.1	0	0	0	0	0	108.6
156	G	42.8	Very low	43	Very low	76 Å²	76	108.6 Å²	108.6	78%	0.784	84%	0.84	S	S	*	*				126.3	174.7	79.7	0	0	0	0	0	110.3
157	G	40.9	Very low	42.9	Very low	85 Å²	85	113.7 Å²	113.7	88%	0.876	85%	0.847	S	S	*	*			trans	93	119.2	174.1	0	0	0	0	0	115.9
158	R	35.7	Very low	42.6	Very low	247 Å²	247	114.8 Å²	114.8	93%	0.932	86%	0.859	S	S	*	*			trans	-120.9	144.4	172.3	-60.6	173.3	174	-152.7	-0.2	109
159	S	44.7	Very low	42.3	Very low	129 Å²	129	110.3 Å²	110.3	90%	0.902	85%	0.851	S	S	*	*			trans	-173.1	163.3	134.3	-111.9	0	0	0	0	113.3
160	L	38	Very low	41.7	Very low	176 Å²	176	112.8 Å²	112.8	92%	0.921	86%	0.858	S	S	*	*			trans	-93.5	148.2	-177.9	-62.2	165.6	0	0	0	110.7
161	G	41.2	Very low	41.7	Very low	81 Å²	81	120.5 Å²	120.5	84%	0.835	86%	0.862	S	S	*	*			trans	-158.1	96.1	178	0	0	0	0	0	112.1
162	S	39.2	Very low	41.5	Very low	131 Å²	131	120.6 Å²	120.6	92%	0.916	85%	0.854	S	S	*	*			trans	-90.5	136.3	-179.8	-63	0	0	0	0	111.7
163	G	44.5	Very low	41.4	Very low	74 Å²	74	120.5 Å²	120.5	76%	0.763	85%	0.854	S	S	*	*			trans	159.4	118.1	163.5	0	0	0	0	0	116.8
164	P	43.1	Very low	41.6	Very low	137 Å²	137	121.5 Å²	121.5	89%	0.89	85%	0.853	S	S	*	*			trans	-106.9	127.4	157.5	33.9	-24.4	0	0	0	111.1
165	G	40.8	Very low	41.7	Very low	78 Å²	78	121 Å²	121	80%	0.804	85%	0.849	S	S	*	*			trans	-152.4	154.6	-179.1	0	0	0	0	0	114.3
166	G	40.2	Very low	41.9	Very low	73 Å²	73	122.7 Å²	122.7	75%	0.753	85%	0.848	S	S	*	*			trans	83.3	112.2	-175.2	0	0	0	0	0	112.6
167	R	44.2	Very low	41.5	Very low	261 Å²	261	128.3 Å²	128.3	99%	0.985	85%	0.854	S	S	*	*			cis	83.1	136.5	32.1	-61.7	-172.9	171.1	-108.5	4.3	115.6
168	G	38.4	Very low	41.5	Very low	84 Å²	84	129 Å²	129	87%	0.866	85%	0.851	S	S	*	*			trans	100.2	129.3	174.2	0	0	0	0	0	114.2
169	G	39.4	Very low	41.8	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	85%	0.851	S	S	*	*			cis	-173.4	155.5	-7.4	0	0	0	0	0	114.4
170	T	39	Very low	41.4	Very low	139 Å²	139	127.9 Å²	127.9	85%	0.853	85%	0.85	S	S	*	*			trans	-7	141.2	155.1	54	0	0	0	0	118.8
171	R	44.4	Very low	41.7	Very low	242 Å²	242	123 Å²	123	91%	0.913	84%	0.842	S	S	*	*				-166.8	177	65.9	-96.7	-172.8	159	-160.7	-3.1	110
172	A	40.5	Very low	41.8	Very low	91 Å²	91	125.5 Å²	125.5	75%	0.752	84%	0.844	S	S	*	*			cis	179.6	153.1	-36.1	0	0	0	0	0	110.2
173	G	42.4	Very low	41.4	Very low	79 Å²	79	123.1 Å²	123.1	81%	0.814	84%	0.84	S	S	*	*			trans	92	156.7	167.4	0	0	0	0	0	116.6
174	A	45.3	Very low	41.2	Very low	104 Å²	104	124.7 Å²	124.7	86%	0.86	85%	0.846	S	S	*	*			cis	-163.8	150.6	-14.4	0	0	0	0	0	111.4
175	G	43.1	Very low	40.8	Very low	75 Å²	75	123.7 Å²	123.7	77%	0.773	85%	0.849	S	S	*	*			trans	77.5	152.3	172.3	0	0	0	0	0	115.8
176	T	51.8	Low	40.6	Very low	143 Å²	143	123.4 Å²	123.4	88%	0.877	85%	0.846	S	S	*	*			cis	-139.9	173.6	-5.4	51.5	0	0	0	0	110.8
177	E	34.6	Very low	40.8	Very low	194 Å²	194	124.8 Å²	124.8	91%	0.907	85%	0.85	S	S	*	*			trans	-102.2	146.7	-159.5	-58.3	148.6	102.6	0	0	115.3
178	A	41.2	Very low	40.9	Very low	100 Å²	100	116.4 Å²	116.4	83%	0.826	85%	0.845	S	S	*	*			trans	-156.3	95.2	164.7	0	0	0	0	0	114.2
179	R	41.4	Very low	41.7	Very low	245 Å²	245	114.7 Å²	114.7	93%	0.925	83%	0.827	S	S	*	*			trans	32.2	108.9	149.8	-74.4	176.7	159.3	-115	-2.9	121.8
180	A	37.1	Very low	43.4	Very low	108 Å²	108	121 Å²	121	89%	0.893	83%	0.829	S	S	*	*				60.4	119.2	119.5	0	0	0	0	0	122.4
181	G	43.2	Very low	45.2	Very low	72 Å²	72	117.8 Å²	117.8	74%	0.742	80%	0.804	S	S	*	*			trans	-178.5	128.2	161.2	0	0	0	0	0	110.7
182	P	43.5	Very low	47	Very low	135 Å²	135	109 Å²	109	88%	0.877	78%	0.784	S	S	*	*			trans	-97.4	154.6	-165.7	36.3	-35.7	0	0	0	115.7
183	G	31	Very low	49	Very low	81 Å²	81	104.9 Å²	104.9	84%	0.835	75%	0.749	S	S	*	*			trans	89.1	90.5	143.1	0	0	0	0	0	119.2
184	A	41.6	Very low	50.7	Low	107 Å²	107	105.1 Å²	105.1	88%	0.884	75%	0.752	S	S	*	*			trans	-165.3	96.8	146.4	0	0	0	0	0	111.4
185	A	33.4	Very low	52.1	Low	115 Å²	115	105.8 Å²	105.8	95%	0.95	74%	0.737	S	S	*	*			trans	-89.1	120.1	164.5	0	0	0	0	0	109
186	G	36.4	Very low	53.7	Low	73 Å²	73	105 Å²	105	75%	0.753	72%	0.718	S	S	*	*			trans	-175.1	113.8	-177.8	0	0	0	0	0	115.4
187	A	44.8	Very low	54.9	Low	102 Å²	102	100.8 Å²	100.8	84%	0.843	70%	0.704	S	S	*	*			trans	20.7	105.7	159.2	0	0	0	0	0	119.2	G189	A187-G189 VanDerWaalsContact C-N 3.31Å; A187-G189 PolarHBondContact O-N 2.62Å
188	G	46.8	Very low	57	Low	84 Å²	84	96.9 Å²	96.9	87%	0.866	68%	0.684	S	S	*	*			trans	-68.2	81.4	164.4	0	0	0	0	0	112.7	R190	G188-R190 PolarHBondContact O-N 3.37Å
189	G	55.3	Low	58.9	Low	48 Å²	48	96.3 Å²	96.3	50%	0.495	67%	0.67	S	S	.	*			trans	-63.5	111.2	-177.4	0	0	0	0	0	113.4	A187 H191	A187-G189 VanDerWaalsContact C-N 3.31Å; A187-G189 PolarHBondContact O-N 2.62Å; G189-H191 PolarHBondContact O-CD2 2.82Å; G189-H191 VanDerWaalsContact O-CD2 3.28Å; G189-H191 PolarHBondContact O-N 2.94Å
190	R	73.8	Confident	60.9	Low	204 Å²	204	87.5 Å²	87.5	77%	0.77	64%	0.637	S	S	*	*			trans	-70.2	115.7	172.3	-77.9	-176	-80.1	-153.6	-4.3	109.9	G188 A192	G188-R190 PolarHBondContact O-N 3.37Å; R190-A192 PolarHBondContact O-N 3.28Å; R190-A192 VanDerWaalsContact O-N 3.15Å
191	H	77.9	Confident	63.1	Low	72 Å²	72	86.8 Å²	86.8	33%	0.333	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.4	101	-174.6	-67.3	-81.5	0	0	0	110.9	G189 Y200 S203 L206	G189-H191 PolarHBondContact O-CD2 2.82Å; G189-H191 VanDerWaalsContact O-CD2 3.28Å; G189-H191 PolarHBondContact O-N 2.94Å; H191-Y200 PolarHBondContact N-O 3.46Å; H191-Y200 PolarHBondContact O-N 3.05Å; H191-S203 PolarHBondContact CD2-N 2.94Å; H191-S203 PolarHBondContact NE2-N 3.24Å; H191-L206 HydrophobicContact CB-CB 3.8Å; H191-L206 HydrophobicContact CB-CD2 3.78Å; H191-L206 HydrophobicContact CB-CG 4.39Å
192	A	81.9	Confident	65.1	Low	58 Å²	58	86.2 Å²	86.2	48%	0.479	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.9	149.2	-179.6	0	0	0	0	0	113.3	R190 K198 T199 L206	R190-A192 PolarHBondContact O-N 3.28Å; R190-A192 VanDerWaalsContact O-N 3.15Å; A192-K198 CarbonylContact C-O 3.57Å; A192-T199 HydrophobicContact CB-CG2 3.97Å; A192-L206 WeakPolarHBondContact O-CD1 3.39Å; A192-L206 VanDerWaalsContact O-CD2 3.23Å; A192-L206 WeakPolarHBondContact O-CD2 3.42Å
193	C	81.5	Confident	67	Low	3 Å²	3	83 Å²	83	2%	0.02	59%	0.594	C	S	.	*			trans	-95.9	121.5	170.7	-177.2	0	0	0	0	111.5	E195 G197 K198 L206 H209 H213	C193-E195 PolarHBondContact O-N 3.47Å; C193-G197 VanDerWaalsContact O-CA 3.3Å; C193-G197 WeakPolarHBondContact O-CA 3.44Å; C193-G197 PolarHBondContact O-N 3.44Å; C193-K198 PolarHBondContact N-O 3.09Å; C193-L206 HydrophobicContact CB-CD1 3.65Å; C193-H209 PolarHBondContact SG-NE2 3.48Å; C193-H213 PolarHBondContact SG-CD2 3.45Å; C193-H213 PolarHBondContact SG-NE2 3.01Å
194	G	78.3	Confident	69.4	Low	85 Å²	85	83.2 Å²	83.2	88%	0.876	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-24.2	177.8	0	0	0	0	0	114.5
195	E	74.4	Confident	71.2	Confident	118 Å²	118	80.5 Å²	80.5	55%	0.551	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-15.8	-173.8	-64	155.7	-81	0	0	113.6	C193 H213	C193-E195 PolarHBondContact O-N 3.47Å; E195-H213 HydrophobicContact CB-CB 4.42Å; E195-H213 IonicContact OE1-CD2 3.45Å; E195-H213 PolarHBondContact OE1-CD2 3.24Å; E195-H213 WeakPolarHBondContact OE2-CB 3.45Å; E195-H213 IonicContact OE2-CD2 3.97Å; E195-H213 IonicContact OE2-CG 3.82Å
196	C	76.7	Confident	73.5	Confident	57 Å²	57	76 Å²	76	39%	0.385	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155	15.9	175.1	76.7	0	0	0	0	116.1	K198 H209 H213	C196-K198 PolarHBondContact O-N 3.3Å; C196-K198 VanDerWaalsContact SG-CD 3.57Å; C196-H209 VanDerWaalsContact SG-CE1 3.57Å; C196-H209 PolarHBondContact SG-NE2 2.87Å; C196-H213 PolarHBondContact SG-CE1 3.5Å; C196-H213 PolarHBondContact SG-NE2 3.26Å; C196-H213 VanDerWaalsContact SG-NE2 3.43Å
197	G	77.8	Confident	75.6	Confident	55 Å²	55	75.5 Å²	75.5	57%	0.567	50%	0.499	S	S	*	.			trans	70.9	-9.2	174.1	0	0	0	0	0	116.9	C193 T199	C193-G197 VanDerWaalsContact O-CA 3.3Å; C193-G197 WeakPolarHBondContact O-CA 3.44Å; C193-G197 PolarHBondContact O-N 3.44Å; G197-T199 PolarHBondContact O-N 3.15Å
198	K	78.8	Confident	77.1	Confident	113 Å²	113	76.9 Å²	76.9	49%	0.491	48%	0.482	S	S	.	.			trans	-60	131	-178.8	-67.6	175.4	-167.7	168.9	0	111.3	A192 C193 C196 Y200	A192-K198 CarbonylContact C-O 3.57Å; C193-K198 PolarHBondContact N-O 3.09Å; C196-K198 PolarHBondContact O-N 3.3Å; C196-K198 VanDerWaalsContact SG-CD 3.57Å; K198-Y200 HydrophobicContact CB-CE2 3.59Å; K198-Y200 WeakPolarHBondContact O-CE2 3.38Å
199	T	81.1	Confident	78.7	Confident	88 Å²	88	73.4 Å²	73.4	54%	0.54	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143.9	-179.4	51.1	0	0	0	0	111.6	A192 G197	A192-T199 HydrophobicContact CB-CG2 3.97Å; G197-T199 PolarHBondContact O-N 3.15Å
200	Y	83.9	Confident	79.6	Confident	59 Å²	59	76.1 Å²	76.1	23%	0.231	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.3	-174.8	-65	-85.5	0	0	0	111.6	H191 K198 T202 N205 L206 H209	H191-Y200 PolarHBondContact N-O 3.46Å; H191-Y200 PolarHBondContact O-N 3.05Å; K198-Y200 HydrophobicContact CB-CE2 3.59Å; K198-Y200 WeakPolarHBondContact O-CE2 3.38Å; Y200-T202 PolarHBondContact O-N 3.31Å; Y200-N205 HydrophobicContact CD1-CB 3.81Å; Y200-N205 HydrophobicContact CG-CB 4.12Å; Y200-L206 HydrophobicContact CD2-CB 4.2Å; Y200-L206 HydrophobicContact CD2-CD1 4.11Å; Y200-L206 HydrophobicContact CG-CB 4.48Å; Y200-H209 HydrophobicContact CD2-CB 4.49Å; Y200-H209 HydrophobicContact CE1-CB 4.22Å; Y200-H209 HydrophobicContact CE2-CB 3.79Å; Y200-H209 AromaticContact CE2-CD2 3.22Å; Y200-H209 WeakPolarHBondContact CE2-CD2 3.35Å; Y200-H209 AromaticContact CE2-CG 3.65Å; Y200-H209 AromaticContact CZ-CD2 3.58Å; Y200-H209 AromaticContact CZ-CG 3.56Å; Y200-H209 PolarHBondContact OH-CD2 2.87Å
201	A	82.5	Confident	79.6	Confident	93 Å²	93	69.2 Å²	69.2	77%	0.769	42%	0.418	S	S	*	.	S	Bend	trans	-69.9	-17.1	-179.8	0	0	0	0	0	114
202	T	84.8	Confident	79	Confident	60 Å²	60	67.4 Å²	67.4	37%	0.368	41%	0.412	S	S	.	.	S	Bend	trans	-144.5	152.4	178.4	61.5	0	0	0	0	111.9	Y200 S204 N205 L206	Y200-T202 PolarHBondContact O-N 3.31Å; T202-S204 VanDerWaalsContact C-N 3.28Å; T202-S204 PolarHBondContact O-N 3.3Å; T202-N205 WeakPolarHBondContact O-CB 3.43Å; T202-N205 PolarHBondContact O-N 3Å; T202-N205 VanDerWaalsContact O-N 3.09Å; T202-N205 PolarHBondContact OG1-N 2.92Å; T202-N205 PolarHBondContact OG1-ND2 3.3Å; T202-L206 PolarHBondContact O-N 3.34Å; T202-L206 VanDerWaalsContact O-N 3.13Å
203	S	84	Confident	78.5	Confident	68 Å²	68	67.1 Å²	67.1	48%	0.476	40%	0.401	S	S	.	.	H	α-helix	trans	-56.4	-39.7	175.8	55.1	0	0	0	0	112.4	H191 N205 L206 S207	H191-S203 PolarHBondContact CD2-N 2.94Å; H191-S203 PolarHBondContact NE2-N 3.24Å; S203-N205 VanDerWaalsContact C-N 3.3Å; S203-N205 PolarHBondContact O-N 2.81Å; S203-L206 PolarHBondContact O-N 2.63Å; S203-S207 WeakPolarHBondContact O-CB 3.23Å; S203-S207 PolarHBondContact O-N 3.36Å
204	S	82.2	Confident	77.8	Confident	86 Å²	86	74 Å²	74	60%	0.601	43%	0.426	S	S	*	.	H	α-helix	trans	-61	-36.9	176.4	-38.6	0	0	0	0	112.5	T202 S207 R208	T202-S204 VanDerWaalsContact C-N 3.28Å; T202-S204 PolarHBondContact O-N 3.3Å; S204-S207 PolarHBondContact O-N 3.05Å; S204-R208 WeakPolarHBondContact O-CB 3.46Å; S204-R208 PolarHBondContact O-N 3.42Å
205	N	79	Confident	77	Confident	50 Å²	50	73 Å²	73	27%	0.267	41%	0.406	S	S	.	.	H	α-helix	trans	-72.4	-40.1	175.6	-83.6	-55.7	0	0	0	112.1	Y200 T202 S203 S207 R208 H209	Y200-N205 HydrophobicContact CD1-CB 3.81Å; Y200-N205 HydrophobicContact CG-CB 4.12Å; T202-N205 WeakPolarHBondContact O-CB 3.43Å; T202-N205 PolarHBondContact O-N 3Å; T202-N205 VanDerWaalsContact O-N 3.09Å; T202-N205 PolarHBondContact OG1-N 2.92Å; T202-N205 PolarHBondContact OG1-ND2 3.3Å; S203-N205 VanDerWaalsContact C-N 3.3Å; S203-N205 PolarHBondContact O-N 2.81Å; N205-S207 VanDerWaalsContact C-N 3.34Å; N205-R208 PolarHBondContact O-N 3.15Å; N205-R208 PolarHBondContact OD1-NH2 2.87Å; N205-H209 WeakPolarHBondContact O-CB 3.17Å; N205-H209 PolarHBondContact O-N 3.24Å
206	L	81	Confident	76.1	Confident	20 Å²	20	74 Å²	74	11%	0.105	42%	0.415	C	S	.	.	H	α-helix	trans	-61.6	-41.8	170.4	173.8	62.3	0	0	0	111.5	H191 A192 C193 Y200 T202 S203 H209 K210	H191-L206 HydrophobicContact CB-CB 3.8Å; H191-L206 HydrophobicContact CB-CD2 3.78Å; H191-L206 HydrophobicContact CB-CG 4.39Å; A192-L206 WeakPolarHBondContact O-CD1 3.39Å; A192-L206 VanDerWaalsContact O-CD2 3.23Å; A192-L206 WeakPolarHBondContact O-CD2 3.42Å; C193-L206 HydrophobicContact CB-CD1 3.65Å; Y200-L206 HydrophobicContact CD2-CB 4.2Å; Y200-L206 HydrophobicContact CD2-CD1 4.11Å; Y200-L206 HydrophobicContact CG-CB 4.48Å; T202-L206 PolarHBondContact O-N 3.34Å; T202-L206 VanDerWaalsContact O-N 3.13Å; S203-L206 PolarHBondContact O-N 2.63Å; L206-H209 CarbonylContact O-C 3.6Å; L206-H209 WeakPolarHBondContact O-CA 3.49Å; L206-H209 WeakPolarHBondContact O-CB 3.46Å; L206-H209 PolarHBondContact O-N 3.42Å; L206-H209 VanDerWaalsContact O-N 3.1Å; L206-K210 HydrophobicContact CD1-CG 4.19Å; L206-K210 HydrophobicContact CG-CG 4.42Å; L206-K210 PolarHBondContact O-N 3.47Å
207	S	80.9	Confident	75	Confident	63 Å²	63	76.8 Å²	76.8	44%	0.441	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-47.8	177.7	-179.2	0	0	0	0	111.6	S203 S204 N205 H209 K210 Q211	S203-S207 WeakPolarHBondContact O-CB 3.23Å; S203-S207 PolarHBondContact O-N 3.36Å; S204-S207 PolarHBondContact O-N 3.05Å; N205-S207 VanDerWaalsContact C-N 3.34Å; S207-H209 PolarHBondContact O-N 2.97Å; S207-K210 PolarHBondContact O-N 3.17Å; S207-Q211 WeakPolarHBondContact O-CG 3.48Å; S207-Q211 PolarHBondContact O-N 3.24Å
208	R	76.3	Confident	74.2	Confident	130 Å²	130	76.2 Å²	76.2	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-57.6	-30.2	172	-178.4	167.6	62.8	154.5	-3.8	112.5	S204 N205 V232	S204-R208 WeakPolarHBondContact O-CB 3.46Å; S204-R208 PolarHBondContact O-N 3.42Å; N205-R208 PolarHBondContact O-N 3.15Å; N205-R208 PolarHBondContact OD1-NH2 2.87Å; R208-V232 HydrophobicContact CG-CG1 3.81Å; R208-V232 WeakPolarHBondContact O-CG1 3.34Å
209	H	79.6	Confident	73.2	Confident	11 Å²	11	73.2 Å²	73.2	5%	0.051	40%	0.401	C	S	.	.	H	α-helix	trans	-81.8	-40.8	175	172.9	42.1	0	0	0	114.2	C193 C196 Y200 N205 L206 S207 Q211 T212 H213	C193-H209 PolarHBondContact SG-NE2 3.48Å; C196-H209 VanDerWaalsContact SG-CE1 3.57Å; C196-H209 PolarHBondContact SG-NE2 2.87Å; Y200-H209 HydrophobicContact CD2-CB 4.49Å; Y200-H209 HydrophobicContact CE1-CB 4.22Å; Y200-H209 HydrophobicContact CE2-CB 3.79Å; Y200-H209 AromaticContact CE2-CD2 3.22Å; Y200-H209 WeakPolarHBondContact CE2-CD2 3.35Å; Y200-H209 AromaticContact CE2-CG 3.65Å; Y200-H209 AromaticContact CZ-CD2 3.58Å; Y200-H209 AromaticContact CZ-CG 3.56Å; Y200-H209 PolarHBondContact OH-CD2 2.87Å; N205-H209 WeakPolarHBondContact O-CB 3.17Å; N205-H209 PolarHBondContact O-N 3.24Å; L206-H209 CarbonylContact O-C 3.6Å; L206-H209 WeakPolarHBondContact O-CA 3.49Å; L206-H209 WeakPolarHBondContact O-CB 3.46Å; L206-H209 PolarHBondContact O-N 3.42Å; L206-H209 VanDerWaalsContact O-N 3.1Å; S207-H209 PolarHBondContact O-N 2.97Å; H209-Q211 PolarHBondContact O-N 2.9Å; H209-Q211 VanDerWaalsContact O-N 3.07Å; H209-T212 PolarHBondContact CE1-OG1 3.34Å; H209-T212 PolarHBondContact ND1-OG1 2.89Å; H209-T212 VanDerWaalsContact ND1-OG1 3.1Å; H209-T212 WeakPolarHBondContact O-CB 3.4Å; H209-T212 WeakPolarHBondContact O-CG2 3.31Å; H209-T212 PolarHBondContact O-N 3.04Å; H209-T212 PolarHBondContact O-OG1 3.02Å; H209-H213 AromaticContact CE1-CD2 4Å; H209-H213 AromaticContact CE1-CE1 3.36Å; H209-H213 PolarHBondContact CE1-CE1 3.41Å; H209-H213 AromaticContact CE1-NE2 3.05Å; H209-H213 PolarHBondContact CE1-NE2 3.06Å; H209-H213 AromaticContact NE2-CE1 3.75Å; H209-H213 AromaticContact NE2-NE2 3.06Å; H209-H213 PolarHBondContact NE2-NE2 2.63Å
210	K	75.9	Confident	72.1	Confident	106 Å²	106	73.3 Å²	73.3	46%	0.461	40%	0.397	S	S	.	.	H	α-helix	trans	-55.1	-30.4	174.6	-75.4	-174.1	172.7	-169.5	0	111.9	L206 S207 T212 H213	L206-K210 HydrophobicContact CD1-CG 4.19Å; L206-K210 HydrophobicContact CG-CG 4.42Å; L206-K210 PolarHBondContact O-N 3.47Å; S207-K210 PolarHBondContact O-N 3.17Å; K210-T212 PolarHBondContact O-N 2.87Å; K210-T212 VanDerWaalsContact O-N 3.13Å; K210-H213 PolarHBondContact O-N 3.26Å; K210-H213 VanDerWaalsContact O-N 3.11Å
211	Q	72.5	Confident	71	Confident	58 Å²	58	71.4 Å²	71.4	27%	0.271	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.8	172	-69.7	176.4	40.1	0	0	115.5	S207 H209 R222 V232	S207-Q211 WeakPolarHBondContact O-CG 3.48Å; S207-Q211 PolarHBondContact O-N 3.24Å; H209-Q211 PolarHBondContact O-N 2.9Å; H209-Q211 VanDerWaalsContact O-N 3.07Å; Q211-R222 PolarHBondContact O-NH2 2.83Å; Q211-V232 HydrophobicContact CB-CG1 4.46Å; Q211-V232 PolarHBondContact OE1-O 3.34Å
212	T	66.8	Low	70.1	Confident	34 Å²	34	68 Å²	68	21%	0.209	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.1	174.3	75.2	0	0	0	0	113.8	I119 H209 K210 Q219	I119-T212 HydrophobicContact CD1-CG2 3.65Å; H209-T212 PolarHBondContact CE1-OG1 3.34Å; H209-T212 PolarHBondContact ND1-OG1 2.89Å; H209-T212 VanDerWaalsContact ND1-OG1 3.1Å; H209-T212 WeakPolarHBondContact O-CB 3.4Å; H209-T212 WeakPolarHBondContact O-CG2 3.31Å; H209-T212 PolarHBondContact O-N 3.04Å; H209-T212 PolarHBondContact O-OG1 3.02Å; K210-T212 PolarHBondContact O-N 2.87Å; K210-T212 VanDerWaalsContact O-N 3.13Å; T212-Q219 PolarHBondContact O-NE2 2.58Å
213	H	70	Confident	69.2	Low	53 Å²	53	71 Å²	71	25%	0.245	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-13.8	177.8	-55.8	-49.1	0	0	0	113.8	C193 E195 C196 H209 K210 S215	C193-H213 PolarHBondContact SG-CD2 3.45Å; C193-H213 PolarHBondContact SG-NE2 3.01Å; E195-H213 HydrophobicContact CB-CB 4.42Å; E195-H213 IonicContact OE1-CD2 3.45Å; E195-H213 PolarHBondContact OE1-CD2 3.24Å; E195-H213 WeakPolarHBondContact OE2-CB 3.45Å; E195-H213 IonicContact OE2-CD2 3.97Å; E195-H213 IonicContact OE2-CG 3.82Å; C196-H213 PolarHBondContact SG-CE1 3.5Å; C196-H213 PolarHBondContact SG-NE2 3.26Å; C196-H213 VanDerWaalsContact SG-NE2 3.43Å; H209-H213 AromaticContact CE1-CD2 4Å; H209-H213 AromaticContact CE1-CE1 3.36Å; H209-H213 PolarHBondContact CE1-CE1 3.41Å; H209-H213 AromaticContact CE1-NE2 3.05Å; H209-H213 PolarHBondContact CE1-NE2 3.06Å; H209-H213 AromaticContact NE2-CE1 3.75Å; H209-H213 AromaticContact NE2-NE2 3.06Å; H209-H213 PolarHBondContact NE2-NE2 2.63Å; K210-H213 PolarHBondContact O-N 3.26Å; K210-H213 VanDerWaalsContact O-N 3.11Å; H213-S215 PolarHBondContact O-N 3.13Å
214	R	68	Low	68.4	Low	146 Å²	146	67.9 Å²	67.9	55%	0.551	34%	0.344	S	S	*	.	S	Bend	trans	-48.3	143.4	170.3	-72.5	-171.4	167.4	-179.5	-5.6	110.3	Q219	R214-Q219 WeakPolarHBondContact O-CG 3.26Å; R214-Q219 PolarHBondContact O-NE2 3.3Å
215	S	59.8	Low	67.6	Low	66 Å²	66	68.8 Å²	68.8	46%	0.462	35%	0.348	S	S	.	.			trans	-50.6	160.3	-173	73.4	0	0	0	0	113.6	H213 D217 S218 Q219	H213-S215 PolarHBondContact O-N 3.13Å; S215-D217 WeakPolarHBondContact CB-OD2 3.46Å; S215-D217 PolarHBondContact O-N 2.73Å; S215-D217 PolarHBondContact OG-OD2 3.34Å; S215-S218 WeakPolarHBondContact O-CA 3.44Å; S215-S218 WeakPolarHBondContact O-CB 3.44Å; S215-S218 PolarHBondContact O-N 3.17Å; S215-Q219 PolarHBondContact O-N 3.12Å; S215-Q219 VanDerWaalsContact O-N 3.14Å
216	L	56.9	Low	66.8	Low	139 Å²	139	70.8 Å²	70.8	73%	0.728	36%	0.362	S	S	*	.	H	α-helix	trans	-53	-31.9	-175.8	-151	78.5	0	0	0	112.5	Q219 L220	L216-Q219 CarbonylContact O-C 3.55Å; L216-Q219 WeakPolarHBondContact O-CB 3.47Å; L216-Q219 PolarHBondContact O-N 3Å; L216-Q219 VanDerWaalsContact O-N 3.16Å; L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 PolarHBondContact O-N 3.3Å
217	D	53.3	Low	66	Low	114 Å²	114	72.4 Å²	72.4	61%	0.61	37%	0.374	S	S	*	.	H	α-helix	trans	-67.5	-42.2	177.7	-31	-82.2	0	0	0	111.8	S215 Q219 L220 A221	S215-D217 WeakPolarHBondContact CB-OD2 3.46Å; S215-D217 PolarHBondContact O-N 2.73Å; S215-D217 PolarHBondContact OG-OD2 3.34Å; D217-Q219 PolarHBondContact O-N 2.86Å; D217-L220 WeakPolarHBondContact O-CB 3.37Å; D217-L220 PolarHBondContact O-N 3.41Å; D217-A221 PolarHBondContact O-N 3.42Å
218	S	60.9	Low	65.4	Low	44 Å²	44	70.1 Å²	70.1	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-71.4	-12	172	-74.3	0	0	0	0	113.9	S215 R222	S215-S218 WeakPolarHBondContact O-CA 3.44Å; S215-S218 WeakPolarHBondContact O-CB 3.44Å; S215-S218 PolarHBondContact O-N 3.17Å; S218-R222 PolarHBondContact O-NE 2.92Å; S218-R222 PolarHBondContact O-NH2 3.31Å
219	Q	57.5	Low	64.8	Low	49 Å²	49	68.7 Å²	68.7	23%	0.229	36%	0.358	C	S	.	.	H	α-helix	trans	-92.4	-36.5	169.8	-59.4	-173.6	27.1	0	0	110.8	T212 R214 S215 L216 D217 A221 R222 R223 V230	T212-Q219 PolarHBondContact O-NE2 2.58Å; R214-Q219 WeakPolarHBondContact O-CG 3.26Å; R214-Q219 PolarHBondContact O-NE2 3.3Å; S215-Q219 PolarHBondContact O-N 3.12Å; S215-Q219 VanDerWaalsContact O-N 3.14Å; L216-Q219 CarbonylContact O-C 3.55Å; L216-Q219 WeakPolarHBondContact O-CB 3.47Å; L216-Q219 PolarHBondContact O-N 3Å; L216-Q219 VanDerWaalsContact O-N 3.16Å; D217-Q219 PolarHBondContact O-N 2.86Å; Q219-A221 VanDerWaalsContact C-N 3.32Å; Q219-A221 PolarHBondContact O-N 3.23Å; Q219-R222 CarbonylContact O-C 3.29Å; Q219-R222 VanDerWaalsContact O-C 3.29Å; Q219-R222 PolarHBondContact O-N 2.92Å; Q219-R223 PolarHBondContact O-N 3.05Å; Q219-R223 VanDerWaalsContact O-N 3.14Å; Q219-V230 HydrophobicContact CB-CG1 4.1Å
220	L	57.6	Low	64.2	Low	90 Å²	90	70 Å²	70	47%	0.471	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-39.6	173.1	-173.7	61.2	0	0	0	111.7	L216 D217 R222 R223	L216-L220 WeakPolarHBondContact O-CB 3.44Å; L216-L220 PolarHBondContact O-N 3.3Å; D217-L220 WeakPolarHBondContact O-CB 3.37Å; D217-L220 PolarHBondContact O-N 3.41Å; L220-R222 PolarHBondContact O-N 3.28Å; L220-R223 HydrophobicContact CD1-CB 4.33Å; L220-R223 WeakPolarHBondContact O-CB 3.39Å; L220-R223 PolarHBondContact O-N 2.94Å
221	A	60.7	Low	63.9	Low	19 Å²	19	65.8 Å²	65.8	16%	0.157	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.1	172.8	0	0	0	0	0	114.6	F15 D217 Q219	F15-A221 HydrophobicContact CD2-CB 4.02Å; F15-A221 HydrophobicContact CE2-CB 3.5Å; F15-A221 HydrophobicContact CZ-CB 4.33Å; D217-A221 PolarHBondContact O-N 3.42Å; Q219-A221 VanDerWaalsContact C-N 3.32Å; Q219-A221 PolarHBondContact O-N 3.23Å
222	R	65.4	Low	63.6	Low	22 Å²	22	64.3 Å²	64.3	8%	0.083	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	24.6	173.8	-69.4	174	-68.3	166.3	6.1	112	Q211 S218 Q219 L220 V230 Y231 V232 M234 M237	Q211-R222 PolarHBondContact O-NH2 2.83Å; S218-R222 PolarHBondContact O-NE 2.92Å; S218-R222 PolarHBondContact O-NH2 3.31Å; Q219-R222 CarbonylContact O-C 3.29Å; Q219-R222 VanDerWaalsContact O-C 3.29Å; Q219-R222 PolarHBondContact O-N 2.92Å; L220-R222 PolarHBondContact O-N 3.28Å; R222-V230 WeakPolarHBondContact O-CA 3.19Å; R222-Y231 VanDerWaalsContact CB-O 3.24Å; R222-Y231 WeakPolarHBondContact CB-O 2.98Å; R222-Y231 WeakPolarHBondContact CD-O 3.45Å; R222-Y231 PolarHBondContact O-N 3.15Å; R222-V232 PolarHBondContact NH1-O 3.16Å; R222-M234 HydrophobicContact CG-CG 4.27Å; R222-M234 HydrophobicContact CG-SD 3.73Å; R222-M237 VanDerWaalsContact CA-SD 3.59Å
223	R	64.9	Low	63.7	Low	124 Å²	124	65.3 Å²	65.3	47%	0.468	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-99.2	129.4	176.9	-165.1	173.3	-156.5	-109.2	-2.1	109.7	Q219 L220 G228 K229 V230	Q219-R223 PolarHBondContact O-N 3.05Å; Q219-R223 VanDerWaalsContact O-N 3.14Å; L220-R223 HydrophobicContact CD1-CB 4.33Å; L220-R223 WeakPolarHBondContact O-CB 3.39Å; L220-R223 PolarHBondContact O-N 2.94Å; R223-G228 WeakPolarHBondContact CG-O 3.35Å; R223-G228 PolarHBondContact NE-O 2.78Å; R223-G228 PolarHBondContact NH2-O 2.87Å; R223-G228 VanDerWaalsContact NH2-O 3.14Å; R223-K229 CarbonylContact C-O 3.59Å; R223-K229 WeakPolarHBondContact CA-O 3.5Å; R223-V230 HydrophobicContact CB-CG2 4.14Å; R223-V230 HydrophobicContact CG-CG2 3.9Å
224	C	67.5	Low	63.7	Low	1 Å²	1	65 Å²	65	1%	0.007	35%	0.35	C	S	.	.			trans	-60	126.3	170.9	-179.8	0	0	0	0	110.1	T226 G228 K229 H240 H244	C224-T226 VanDerWaalsContact C-N 3.25Å; C224-T226 PolarHBondContact O-N 3.13Å; C224-T226 PolarHBondContact SG-N 2.97Å; C224-T226 VanDerWaalsContact SG-N 3.36Å; C224-G228 VanDerWaalsContact O-CA 3.28Å; C224-G228 WeakPolarHBondContact O-CA 3.43Å; C224-G228 PolarHBondContact O-N 2.79Å; C224-K229 PolarHBondContact N-O 2.91Å; C224-H240 VanDerWaalsContact CB-NE2 3.28Å; C224-H240 WeakPolarHBondContact CB-NE2 3.34Å; C224-H240 PolarHBondContact SG-NE2 2.92Å; C224-H244 PolarHBondContact SG-CD2 2.83Å
225	P	64.5	Low	63.7	Low	106 Å²	106	61.8 Å²	61.8	69%	0.688	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.9	176.7	27.9	-33.8	0	0	0	111.8	L241	P225-L241 HydrophobicContact CG-CD2 4.27Å
226	T	63.2	Low	64	Low	92 Å²	92	60.6 Å²	60.6	56%	0.564	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-30.7	-172.4	-38.4	0	0	0	0	113.9	C224 H244	C224-T226 VanDerWaalsContact C-N 3.25Å; C224-T226 PolarHBondContact O-N 3.13Å; C224-T226 PolarHBondContact SG-N 2.97Å; C224-T226 VanDerWaalsContact SG-N 3.36Å; T226-H244 HydrophobicContact CG2-CB 4.31Å; T226-H244 WeakPolarHBondContact CG2-ND1 3.32Å
227	C	64.8	Low	64.7	Low	54 Å²	54	54.5 Å²	54.5	37%	0.365	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	3.1	179.4	76.2	0	0	0	0	116.1	K229 H240 H244	C227-K229 PolarHBondContact O-N 3.35Å; C227-K229 VanDerWaalsContact SG-CD 3.58Å; C227-K229 VanDerWaalsContact SG-CG 3.57Å; C227-H240 PolarHBondContact SG-CE1 3.31Å; C227-H240 PolarHBondContact SG-NE2 3.34Å; C227-H244 PolarHBondContact SG-NE2 3.27Å
228	G	67.1	Low	65.5	Low	15 Å²	15	49 Å²	49	16%	0.155	28%	0.281	C	S	.	.			trans	72.4	4.8	173.1	0	0	0	0	0	116.5	R223 C224	R223-G228 WeakPolarHBondContact CG-O 3.35Å; R223-G228 PolarHBondContact NE-O 2.78Å; R223-G228 PolarHBondContact NH2-O 2.87Å; R223-G228 VanDerWaalsContact NH2-O 3.14Å; C224-G228 VanDerWaalsContact O-CA 3.28Å; C224-G228 WeakPolarHBondContact O-CA 3.43Å; C224-G228 PolarHBondContact O-N 2.79Å
229	K	63.8	Low	65.7	Low	100 Å²	100	50.1 Å²	50.1	44%	0.435	28%	0.282	S	S	.	.			trans	-67.6	134.5	174	-68.1	175	-168.5	177.2	0	110.3	F118 R223 C224 C227 Y231	F118-K229 HydrophobicContact CE1-CD 4.01Å; R223-K229 CarbonylContact C-O 3.59Å; R223-K229 WeakPolarHBondContact CA-O 3.5Å; C224-K229 PolarHBondContact N-O 2.91Å; C227-K229 PolarHBondContact O-N 3.35Å; C227-K229 VanDerWaalsContact SG-CD 3.58Å; C227-K229 VanDerWaalsContact SG-CG 3.57Å; K229-Y231 HydrophobicContact CB-CE2 3.57Å; K229-Y231 WeakPolarHBondContact O-CD2 3.44Å; K229-Y231 WeakPolarHBondContact O-CE2 3.4Å
230	V	67.4	Low	66.2	Low	38 Å²	38	48.4 Å²	48.4	23%	0.23	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-99.7	136.6	179.2	178.2	0	0	0	0	110.1	Q219 R222 R223	Q219-V230 HydrophobicContact CB-CG1 4.1Å; R222-V230 WeakPolarHBondContact O-CA 3.19Å; R223-V230 HydrophobicContact CB-CG2 4.14Å; R223-V230 HydrophobicContact CG-CG2 3.9Å
231	Y	69.7	Low	66.7	Low	18 Å²	18	44.8 Å²	44.8	7%	0.071	26%	0.256	C	S	.	.			trans	-116.4	142.8	-175.1	-70.4	-91.1	0	0	0	112	F118 R222 K229 A236 M237 H240	F118-Y231 HydrophobicContact CE1-CE1 4.34Å; R222-Y231 VanDerWaalsContact CB-O 3.24Å; R222-Y231 WeakPolarHBondContact CB-O 2.98Å; R222-Y231 WeakPolarHBondContact CD-O 3.45Å; R222-Y231 PolarHBondContact O-N 3.15Å; K229-Y231 HydrophobicContact CB-CE2 3.57Å; K229-Y231 WeakPolarHBondContact O-CD2 3.44Å; K229-Y231 WeakPolarHBondContact O-CE2 3.4Å; Y231-A236 HydrophobicContact CD1-CB 4Å; Y231-M237 HydrophobicContact CD2-CB 4.1Å; Y231-M237 HydrophobicContact CD2-CG 4.01Å; Y231-M237 HydrophobicContact CG-CB 4.01Å; Y231-M237 HydrophobicContact CG-CG 4.43Å; Y231-H240 HydrophobicContact CE1-CB 3.88Å; Y231-H240 HydrophobicContact CE2-CB 4.12Å; Y231-H240 AromaticContact CE2-CD2 3.14Å; Y231-H240 WeakPolarHBondContact CE2-CD2 3.32Å; Y231-H240 AromaticContact CE2-CG 3.73Å; Y231-H240 AromaticContact CE2-NE2 3.87Å; Y231-H240 AromaticContact CZ-CD2 3.29Å; Y231-H240 AromaticContact CZ-CG 3.36Å; Y231-H240 PolarHBondContact OH-CD2 2.78Å; Y231-H240 PolarHBondContact OH-ND1 2.76Å; Y231-H240 PolarHBondContact OH-NE2 2.97Å
232	V	66.5	Low	67	Low	26 Å²	26	44.1 Å²	44.1	16%	0.158	25%	0.249	C	C	.	.	S	Bend	trans	-72.9	-32.6	175.7	-170.9	0	0	0	0	111.1	I119 R208 Q211 R222	I119-V232 HydrophobicContact CD1-CG2 4.25Å; R208-V232 HydrophobicContact CG-CG1 3.81Å; R208-V232 WeakPolarHBondContact O-CG1 3.34Å; Q211-V232 HydrophobicContact CB-CG1 4.46Å; Q211-V232 PolarHBondContact OE1-O 3.34Å; R222-V232 PolarHBondContact NH1-O 3.16Å
233	S	68.6	Low	66.7	Low	56 Å²	56	46.1 Å²	46.1	39%	0.392	26%	0.264	S	S	.	.	S	Bend	trans	-123.8	138.5	-173.7	-179.4	0	0	0	0	111.5	P235 A236 M237	S233-P235 WeakPolarHBondContact OG-CD 3.36Å; S233-A236 WeakPolarHBondContact O-CA 3.48Å; S233-A236 WeakPolarHBondContact O-CB 3.48Å; S233-A236 PolarHBondContact O-N 3.38Å; S233-M237 PolarHBondContact O-N 3.15Å
234	M	69.4	Low	66.6	Low	45 Å²	45	43.7 Å²	43.7	22%	0.222	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-46.7	177.4	-78.8	-65.6	-77.1	0	0	112.6	L20 R222 A236 M237 A238	L20-M234 HydrophobicContact CD1-CE 3.83Å; R222-M234 HydrophobicContact CG-CG 4.27Å; R222-M234 HydrophobicContact CG-SD 3.73Å; M234-A236 PolarHBondContact O-N 3.23Å; M234-M237 HydrophobicContact CE-CE 3.97Å; M234-M237 CarbonylContact O-C 3.41Å; M234-M237 WeakPolarHBondContact O-CA 3.37Å; M234-M237 WeakPolarHBondContact O-CB 3.46Å; M234-M237 PolarHBondContact O-N 2.84Å; M234-M237 HydrophobicContact SD-CE 3.81Å; M234-A238 PolarHBondContact O-N 2.99Å
235	P	68.5	Low	66.2	Low	79 Å²	79	48.2 Å²	48.2	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-51.4	-35.6	167.2	-32.8	35.1	0	0	0	115.2	S233 A238 M239	S233-P235 WeakPolarHBondContact OG-CD 3.36Å; P235-A238 PolarHBondContact O-N 2.76Å; P235-M239 WeakPolarHBondContact O-CB 3.31Å; P235-M239 WeakPolarHBondContact O-CG 3.25Å; P235-M239 PolarHBondContact O-N 2.94Å
236	A	66.9	Low	65.6	Low	42 Å²	42	44.2 Å²	44.2	35%	0.347	26%	0.255	S	S	.	.	H	α-helix	trans	-73.5	-32.9	175.8	0	0	0	0	0	112.2	Y231 S233 M234 H240	Y231-A236 HydrophobicContact CD1-CB 4Å; S233-A236 WeakPolarHBondContact O-CA 3.48Å; S233-A236 WeakPolarHBondContact O-CB 3.48Å; S233-A236 PolarHBondContact O-N 3.38Å; M234-A236 PolarHBondContact O-N 3.23Å; A236-H240 WeakPolarHBondContact O-CB 3.31Å; A236-H240 PolarHBondContact O-N 2.83Å
237	M	70.5	Confident	65.2	Low	10 Å²	10	50.5 Å²	50.5	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-45.4	168.7	-167.3	174.8	75.2	0	0	111.1	L20 R222 Y231 S233 M234 M239 H240 L241	L20-M237 HydrophobicContact CD1-CE 3.83Å; R222-M237 VanDerWaalsContact CA-SD 3.59Å; Y231-M237 HydrophobicContact CD2-CB 4.1Å; Y231-M237 HydrophobicContact CD2-CG 4.01Å; Y231-M237 HydrophobicContact CG-CB 4.01Å; Y231-M237 HydrophobicContact CG-CG 4.43Å; S233-M237 PolarHBondContact O-N 3.15Å; M234-M237 HydrophobicContact CE-CE 3.97Å; M234-M237 CarbonylContact O-C 3.41Å; M234-M237 WeakPolarHBondContact O-CA 3.37Å; M234-M237 WeakPolarHBondContact O-CB 3.46Å; M234-M237 PolarHBondContact O-N 2.84Å; M234-M237 HydrophobicContact SD-CE 3.81Å; M237-M239 PolarHBondContact O-N 2.85Å; M237-H240 CarbonylContact O-C 3.52Å; M237-H240 WeakPolarHBondContact O-CA 3.21Å; M237-H240 WeakPolarHBondContact O-CB 3.31Å; M237-H240 PolarHBondContact O-N 3.11Å; M237-L241 HydrophobicContact CG-CG 4.38Å; M237-L241 WeakPolarHBondContact O-CG 3.46Å; M237-L241 PolarHBondContact O-N 3.1Å
238	A	69.3	Low	64.9	Low	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-44.4	179.5	0	0	0	0	0	112.4	A23 A27 M234 P235 H240 L241 L242	A23-A238 HydrophobicContact CB-CB 4.14Å; A27-A238 HydrophobicContact CB-CB 4.48Å; M234-A238 PolarHBondContact O-N 2.99Å; P235-A238 PolarHBondContact O-N 2.76Å; A238-H240 PolarHBondContact O-N 3.29Å; A238-L241 PolarHBondContact O-N 2.86Å; A238-L242 PolarHBondContact O-N 3.4Å
239	M	65.4	Low	64.2	Low	66 Å²	66	56.5 Å²	56.5	33%	0.325	28%	0.284	S	S	.	.	H	α-helix	trans	-55.2	-32.1	168.9	-83.2	-84.7	111.6	0	0	112.9	A27 L31 P235 M237 L242 T243	A27-M239 HydrophobicContact CB-CE 3.55Å; A27-M239 WeakPolarHBondContact O-CE 3.27Å; L31-M239 HydrophobicContact CD1-CE 3.71Å; L31-M239 HydrophobicContact CG-CE 4.18Å; P235-M239 WeakPolarHBondContact O-CB 3.31Å; P235-M239 WeakPolarHBondContact O-CG 3.25Å; P235-M239 PolarHBondContact O-N 2.94Å; M237-M239 PolarHBondContact O-N 2.85Å; M239-L242 HydrophobicContact CE-CD2 4.23Å; M239-L242 VanDerWaalsContact O-CB 3.31Å; M239-L242 WeakPolarHBondContact O-CB 3.07Å; M239-T243 PolarHBondContact O-N 3.48Å
240	H	69.3	Low	63.8	Low	13 Å²	13	51.8 Å²	51.8	6%	0.06	26%	0.264	C	S	.	.	H	α-helix	trans	-87.5	-31.9	178.6	168.3	57.3	0	0	0	114	C224 C227 Y231 A236 M237 A238 L242 T243 H244	C224-H240 VanDerWaalsContact CB-NE2 3.28Å; C224-H240 WeakPolarHBondContact CB-NE2 3.34Å; C224-H240 PolarHBondContact SG-NE2 2.92Å; C227-H240 PolarHBondContact SG-CE1 3.31Å; C227-H240 PolarHBondContact SG-NE2 3.34Å; Y231-H240 HydrophobicContact CE1-CB 3.88Å; Y231-H240 HydrophobicContact CE2-CB 4.12Å; Y231-H240 AromaticContact CE2-CD2 3.14Å; Y231-H240 WeakPolarHBondContact CE2-CD2 3.32Å; Y231-H240 AromaticContact CE2-CG 3.73Å; Y231-H240 AromaticContact CE2-NE2 3.87Å; Y231-H240 AromaticContact CZ-CD2 3.29Å; Y231-H240 AromaticContact CZ-CG 3.36Å; Y231-H240 PolarHBondContact OH-CD2 2.78Å; Y231-H240 PolarHBondContact OH-ND1 2.76Å; Y231-H240 PolarHBondContact OH-NE2 2.97Å; A236-H240 WeakPolarHBondContact O-CB 3.31Å; A236-H240 PolarHBondContact O-N 2.83Å; M237-H240 CarbonylContact O-C 3.52Å; M237-H240 WeakPolarHBondContact O-CA 3.21Å; M237-H240 WeakPolarHBondContact O-CB 3.31Å; M237-H240 PolarHBondContact O-N 3.11Å; A238-H240 PolarHBondContact O-N 3.29Å; H240-L242 PolarHBondContact O-N 2.76Å; H240-T243 PolarHBondContact ND1-OG1 3.36Å; H240-T243 WeakPolarHBondContact O-CA 3.48Å; H240-T243 WeakPolarHBondContact O-CB 3.47Å; H240-T243 PolarHBondContact O-N 3.2Å; H240-T243 PolarHBondContact O-OG1 2.76Å; H240-H244 AromaticContact CE1-CD2 3.54Å; H240-H244 AromaticContact CE1-NE2 3.2Å; H240-H244 PolarHBondContact CE1-NE2 3.16Å; H240-H244 AromaticContact NE2-CD2 3.75Å; H240-H244 AromaticContact NE2-NE2 3.48Å; H240-H244 PolarHBondContact NE2-NE2 3.49Å; H240-H244 PolarHBondContact O-N 2.83Å
241	L	68	Low	63.4	Low	15 Å²	15	53.7 Å²	53.7	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-41.3	164.9	-66.1	-178	0	0	0	109.3	L20 P225 M237 A238 T243 H244 D245	L20-L241 HydrophobicContact CD1-CD1 3.82Å; L20-L241 HydrophobicContact CD2-CD1 4.13Å; L20-L241 HydrophobicContact CG-CD1 4.27Å; P225-L241 HydrophobicContact CG-CD2 4.27Å; M237-L241 HydrophobicContact CG-CG 4.38Å; M237-L241 WeakPolarHBondContact O-CG 3.46Å; M237-L241 PolarHBondContact O-N 3.1Å; A238-L241 PolarHBondContact O-N 2.86Å; L241-T243 VanDerWaalsContact C-N 3.3Å; L241-T243 PolarHBondContact O-N 3.49Å; L241-H244 CarbonylContact O-C 3.55Å; L241-H244 WeakPolarHBondContact O-CA 3.17Å; L241-H244 WeakPolarHBondContact O-CB 3.49Å; L241-H244 PolarHBondContact O-N 2.64Å; L241-D245 PolarHBondContact O-N 3.44Å
242	L	65.4	Low	62.9	Low	5 Å²	5	57.5 Å²	57.5	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-53.9	-44	168.5	-142.7	69.3	0	0	0	111.4	Y24 L31 A238 M239 H240 H244 D245 L246	Y24-L242 HydrophobicContact CD2-CD1 4.06Å; Y24-L242 HydrophobicContact CE2-CD1 3.31Å; Y24-L242 HydrophobicContact CE2-CG 4.47Å; L31-L242 HydrophobicContact CD1-CD2 3.23Å; A238-L242 PolarHBondContact O-N 3.4Å; M239-L242 HydrophobicContact CE-CD2 4.23Å; M239-L242 VanDerWaalsContact O-CB 3.31Å; M239-L242 WeakPolarHBondContact O-CB 3.07Å; H240-L242 PolarHBondContact O-N 2.76Å; L242-H244 PolarHBondContact O-N 2.83Å; L242-D245 PolarHBondContact O-N 3.32Å; L242-D245 VanDerWaalsContact O-N 3.1Å; L242-L246 HydrophobicContact CB-CD1 4.21Å; L242-L246 HydrophobicContact CB-CG 4.43Å; L242-L246 HydrophobicContact CD2-CD1 4.26Å; L242-L246 HydrophobicContact CD2-CD2 4.38Å; L242-L246 HydrophobicContact CG-CD1 3.89Å; L242-L246 HydrophobicContact CG-CD2 4.03Å; L242-L246 HydrophobicContact CG-CG 3.83Å; L242-L246 VanDerWaalsContact O-CB 3.23Å; L242-L246 WeakPolarHBondContact O-CB 3.14Å; L242-L246 VanDerWaalsContact O-CD1 3.27Å; L242-L246 WeakPolarHBondContact O-CD1 3.23Å; L242-L246 WeakPolarHBondContact O-CG 3.44Å; L242-L246 PolarHBondContact O-N 3.34Å
243	T	60.1	Low	62.6	Low	63 Å²	63	58.6 Å²	58.6	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-5.8	173.7	67.9	0	0	0	0	116	M239 H240 L241	M239-T243 PolarHBondContact O-N 3.48Å; H240-T243 PolarHBondContact ND1-OG1 3.36Å; H240-T243 WeakPolarHBondContact O-CA 3.48Å; H240-T243 WeakPolarHBondContact O-CB 3.47Å; H240-T243 PolarHBondContact O-N 3.2Å; H240-T243 PolarHBondContact O-OG1 2.76Å; L241-T243 VanDerWaalsContact C-N 3.3Å; L241-T243 PolarHBondContact O-N 3.49Å
244	H	62.5	Low	62.2	Low	74 Å²	74	58.3 Å²	58.3	34%	0.343	33%	0.331	S	S	.	.	H	α-helix	trans	-101.5	-41.2	165.1	-71.4	-70.5	0	0	0	112.9	C224 T226 C227 H240 L241 L242 L246	C224-H244 PolarHBondContact SG-CD2 2.83Å; T226-H244 HydrophobicContact CG2-CB 4.31Å; T226-H244 WeakPolarHBondContact CG2-ND1 3.32Å; C227-H244 PolarHBondContact SG-NE2 3.27Å; H240-H244 AromaticContact CE1-CD2 3.54Å; H240-H244 AromaticContact CE1-NE2 3.2Å; H240-H244 PolarHBondContact CE1-NE2 3.16Å; H240-H244 AromaticContact NE2-CD2 3.75Å; H240-H244 AromaticContact NE2-NE2 3.48Å; H240-H244 PolarHBondContact NE2-NE2 3.49Å; H240-H244 PolarHBondContact O-N 2.83Å; L241-H244 CarbonylContact O-C 3.55Å; L241-H244 WeakPolarHBondContact O-CA 3.17Å; L241-H244 WeakPolarHBondContact O-CB 3.49Å; L241-H244 PolarHBondContact O-N 2.64Å; L242-H244 PolarHBondContact O-N 2.83Å; H244-L246 VanDerWaalsContact C-N 3.33Å
245	D	60.1	Low	61.8	Low	95 Å²	95	62.2 Å²	62.2	51%	0.508	35%	0.346	S	S	.	.	H	α-helix	trans	-78.7	-11.5	-179.8	-69.9	-54.1	0	0	0	114.3	Y24 L241 L242 R247	Y24-D245 HydrophobicContact CE2-CB 4.4Å; Y24-D245 WeakPolarHBondContact OH-CB 3.25Å; L241-D245 PolarHBondContact O-N 3.44Å; L242-D245 PolarHBondContact O-N 3.32Å; L242-D245 VanDerWaalsContact O-N 3.1Å; D245-R247 PolarHBondContact O-N 3.12Å
246	L	52.1	Low	61.3	Low	23 Å²	23	62.2 Å²	62.2	12%	0.12	35%	0.353	C	S	.	.			trans	-71.3	83.9	175.8	-72.4	162.6	0	0	0	110	L242 H244 H248 S258	L242-L246 HydrophobicContact CB-CD1 4.21Å; L242-L246 HydrophobicContact CB-CG 4.43Å; L242-L246 HydrophobicContact CD2-CD1 4.26Å; L242-L246 HydrophobicContact CD2-CD2 4.38Å; L242-L246 HydrophobicContact CG-CD1 3.89Å; L242-L246 HydrophobicContact CG-CD2 4.03Å; L242-L246 HydrophobicContact CG-CG 3.83Å; L242-L246 VanDerWaalsContact O-CB 3.23Å; L242-L246 WeakPolarHBondContact O-CB 3.14Å; L242-L246 VanDerWaalsContact O-CD1 3.27Å; L242-L246 WeakPolarHBondContact O-CD1 3.23Å; L242-L246 WeakPolarHBondContact O-CG 3.44Å; L242-L246 PolarHBondContact O-N 3.34Å; H244-L246 VanDerWaalsContact C-N 3.33Å; L246-H248 WeakPolarHBondContact CD2-CD2 3.27Å; L246-H248 VanDerWaalsContact CD2-NE2 3.32Å; L246-H248 WeakPolarHBondContact CD2-NE2 2.98Å; L246-H248 PolarHBondContact O-N 3.31Å; L246-S258 VanDerWaalsContact CD1-C 3.44Å; L246-S258 WeakPolarHBondContact CD1-O 3.28Å
247	R	54.5	Low	61	Low	223 Å²	223	62.5 Å²	62.5	84%	0.842	35%	0.347	S	S	*	.			trans	-49.8	5.1	162.4	-168.7	177.9	-72.6	-149.4	-1.1	114.2	D245 K249	D245-R247 PolarHBondContact O-N 3.12Å; R247-K249 PolarHBondContact O-N 3.33Å
248	H	56.9	Low	60.4	Low	55 Å²	55	65.1 Å²	65.1	26%	0.255	37%	0.366	S	S	.	.			trans	-72	51.5	173.9	-60.1	-28	0	0	0	112.8	L246 A256 F257 L263	L246-H248 WeakPolarHBondContact CD2-CD2 3.27Å; L246-H248 VanDerWaalsContact CD2-NE2 3.32Å; L246-H248 WeakPolarHBondContact CD2-NE2 2.98Å; L246-H248 PolarHBondContact O-N 3.31Å; H248-A256 WeakPolarHBondContact O-CA 3.42Å; H248-F257 PolarHBondContact O-N 2.93Å; H248-L263 HydrophobicContact CB-CB 4.1Å; H248-L263 HydrophobicContact CB-CD2 3.64Å; H248-L263 HydrophobicContact CB-CG 4.43Å
249	K	53.8	Low	59.9	Low	140 Å²	140	70.4 Å²	70.4	61%	0.609	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-69.8	137.9	156.2	60.1	179.5	-178.9	173	0	108.7	R247 G251 K255	R247-K249 PolarHBondContact O-N 3.33Å; K249-G251 PolarHBondContact O-N 2.89Å; K249-K255 CarbonylContact C-O 3.57Å; K249-K255 WeakPolarHBondContact CA-O 3.31Å
250	C	55.5	Low	59.7	Low	2 Å²	2	69.5 Å²	69.5	1%	0.014	39%	0.385	C	S	.	.			trans	-62.7	128.6	163.9	-179.4	0	0	0	0	109.1	V252 G254 K255 L263 H266 M267 H270	C250-V252 PolarHBondContact O-N 3.48Å; C250-V252 PolarHBondContact SG-N 3.14Å; C250-G254 WeakPolarHBondContact O-CA 3.35Å; C250-G254 PolarHBondContact O-N 2.91Å; C250-K255 PolarHBondContact N-O 3.37Å; C250-L263 HydrophobicContact CB-CD1 4.16Å; C250-H266 VanDerWaalsContact CB-NE2 3.31Å; C250-H266 WeakPolarHBondContact CB-NE2 3.48Å; C250-H266 PolarHBondContact SG-NE2 3.17Å; C250-H266 VanDerWaalsContact SG-NE2 3.42Å; C250-M267 HydrophobicContact CB-SD 4.46Å; C250-H270 PolarHBondContact SG-CD2 3.22Å
251	G	58.5	Low	59.5	Low	78 Å²	78	74.4 Å²	74.4	80%	0.804	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.9	174.3	0	0	0	0	0	113.6	K249	K249-G251 PolarHBondContact O-N 2.89Å
252	V	59.2	Low	59.3	Low	98 Å²	98	76.3 Å²	76.3	59%	0.594	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-33.3	-174.2	-167.4	0	0	0	0	112.9	C250 M267 H270	C250-V252 PolarHBondContact O-N 3.48Å; C250-V252 PolarHBondContact SG-N 3.14Å; V252-M267 HydrophobicContact CG2-CE 4.39Å; V252-H270 WeakPolarHBondContact CG1-ND1 3.38Å; V252-H270 HydrophobicContact CG2-CB 4.46Å
253	C	60	Low	59.3	Low	48 Å²	48	77.4 Å²	77.4	32%	0.324	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	10.1	-177.6	74.5	0	0	0	0	115.8	K255 H266 H270	C253-K255 PolarHBondContact O-N 3.2Å; C253-K255 VanDerWaalsContact SG-CD 3.57Å; C253-H266 VanDerWaalsContact SG-CE1 3.53Å; C253-H266 PolarHBondContact SG-NE2 2.94Å; C253-H270 PolarHBondContact SG-NE2 3.13Å
254	G	61	Low	59.5	Low	51 Å²	51	80 Å²	80	53%	0.526	43%	0.427	S	S	.	.			trans	71.4	-15.1	174.1	0	0	0	0	0	116.7	C250 A256	C250-G254 WeakPolarHBondContact O-CA 3.35Å; C250-G254 PolarHBondContact O-N 2.91Å; G254-A256 PolarHBondContact O-N 3.22Å
255	K	59.7	Low	59.7	Low	126 Å²	126	77.2 Å²	77.2	55%	0.548	42%	0.417	S	S	.	.			trans	-55.2	123.9	-179.7	-66.9	175.9	-169.6	171.3	0	111.3	K249 C250 C253 F257	K249-K255 CarbonylContact C-O 3.57Å; K249-K255 WeakPolarHBondContact CA-O 3.31Å; C250-K255 PolarHBondContact N-O 3.37Å; C253-K255 PolarHBondContact O-N 3.2Å; C253-K255 VanDerWaalsContact SG-CD 3.57Å; K255-F257 HydrophobicContact CB-CE2 3.6Å; K255-F257 HydrophobicContact CB-CZ 3.88Å; K255-F257 VanDerWaalsContact O-CD2 3.31Å; K255-F257 WeakPolarHBondContact O-CD2 3.39Å; K255-F257 WeakPolarHBondContact O-CE2 3.36Å
256	A	58.2	Low	60.1	Low	80 Å²	80	73.6 Å²	73.6	66%	0.661	40%	0.397	S	S	*	.	B	Isolated β-bridge	trans	-93.9	135.3	179.2	0	0	0	0	0	111.6	H248 G254	H248-A256 WeakPolarHBondContact O-CA 3.42Å; G254-A256 PolarHBondContact O-N 3.22Å
257	F	60.9	Low	60.6	Low	48 Å²	48	75.6 Å²	75.6	21%	0.211	41%	0.407	C	S	.	.			trans	-117	133.7	-175.4	-66.8	-89.3	0	0	0	112.8	H248 K255 R259 L262 L263 H266	H248-F257 PolarHBondContact O-N 2.93Å; K255-F257 HydrophobicContact CB-CE2 3.6Å; K255-F257 HydrophobicContact CB-CZ 3.88Å; K255-F257 VanDerWaalsContact O-CD2 3.31Å; K255-F257 WeakPolarHBondContact O-CD2 3.39Å; K255-F257 WeakPolarHBondContact O-CE2 3.36Å; F257-R259 PolarHBondContact O-N 2.93Å; F257-R259 VanDerWaalsContact O-N 3.15Å; F257-L262 HydrophobicContact CB-CB 4.09Å; F257-L262 HydrophobicContact CD1-CB 3.92Å; F257-L262 HydrophobicContact CG-CB 4.35Å; F257-L263 HydrophobicContact CB-CB 4.12Å; F257-L263 HydrophobicContact CD2-CB 4.22Å; F257-L263 HydrophobicContact CD2-CD1 3.98Å; F257-L263 HydrophobicContact CE2-CD1 4.4Å; F257-L263 HydrophobicContact CG-CB 4.34Å; F257-H266 HydrophobicContact CE1-CB 3.95Å; F257-H266 HydrophobicContact CE2-CB 3.98Å; F257-H266 AromaticContact CE2-CD2 3.07Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.39Å; F257-H266 AromaticContact CE2-CG 3.58Å; F257-H266 AromaticContact CE2-NE2 3.76Å; F257-H266 HydrophobicContact CZ-CB 3.58Å; F257-H266 AromaticContact CZ-CD2 3.31Å; F257-H266 WeakPolarHBondContact CZ-CD2 3.15Å; F257-H266 AromaticContact CZ-CG 3.29Å; F257-H266 AromaticContact CZ-ND1 3.96Å; F257-H266 AromaticContact CZ-NE2 3.94Å
258	S	58.3	Low	61	Low	65 Å²	65	67.2 Å²	67.2	46%	0.455	38%	0.375	S	S	.	.	S	Bend	trans	-72.1	-0.4	-178	54.8	0	0	0	0	115.1	L246	L246-S258 VanDerWaalsContact CD1-C 3.44Å; L246-S258 WeakPolarHBondContact CD1-O 3.28Å
259	R	58	Low	61.2	Low	110 Å²	110	68.2 Å²	68.2	42%	0.415	39%	0.388	S	S	.	.	S	Bend	trans	-150	146.3	172.3	-66	-172.7	164.4	140.4	-8.3	110.7	F257 W261 L262 L263	F257-R259 PolarHBondContact O-N 2.93Å; F257-R259 VanDerWaalsContact O-N 3.15Å; R259-W261 VanDerWaalsContact C-N 3.33Å; R259-W261 PolarHBondContact O-N 3.27Å; R259-L262 HydrophobicContact CB-CB 4.41Å; R259-L262 HydrophobicContact CB-CD1 4.04Å; R259-L262 HydrophobicContact CB-CG 4.15Å; R259-L262 HydrophobicContact CG-CD1 4.36Å; R259-L262 WeakPolarHBondContact O-CB 3.41Å; R259-L262 PolarHBondContact O-N 2.85Å; R259-L262 VanDerWaalsContact O-N 3.16Å; R259-L263 PolarHBondContact O-N 2.88Å
260	P	61.9	Low	61.6	Low	47 Å²	47	65.3 Å²	65.3	31%	0.305	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-39.8	176.7	19.9	-30.9	0	0	0	113.2	L262 L263 Q264	P260-L262 VanDerWaalsContact C-N 3.28Å; P260-L262 PolarHBondContact O-N 3.16Å; P260-L263 WeakPolarHBondContact O-CB 3.14Å; P260-L263 PolarHBondContact O-N 3.1Å; P260-L263 VanDerWaalsContact O-N 3.15Å; P260-Q264 PolarHBondContact O-N 2.9Å
261	W	65	Low	61.7	Low	117 Å²	117	69 Å²	69	44%	0.443	40%	0.4	S	S	.	.	H	α-helix	trans	-65.7	-30.2	178.6	81.7	-102.6	0	0	0	113	R259 Q264 G265	R259-W261 VanDerWaalsContact C-N 3.33Å; R259-W261 PolarHBondContact O-N 3.27Å; W261-Q264 PolarHBondContact O-N 3.48Å; W261-G265 PolarHBondContact O-N 3.33Å
262	L	63.5	Low	61.7	Low	54 Å²	54	67.6 Å²	67.6	28%	0.283	39%	0.385	S	S	.	.	H	α-helix	trans	-70.2	-39.2	173.9	-70.8	172.7	0	0	0	111	F257 R259 P260 H266	F257-L262 HydrophobicContact CB-CB 4.09Å; F257-L262 HydrophobicContact CD1-CB 3.92Å; F257-L262 HydrophobicContact CG-CB 4.35Å; R259-L262 HydrophobicContact CB-CB 4.41Å; R259-L262 HydrophobicContact CB-CD1 4.04Å; R259-L262 HydrophobicContact CB-CG 4.15Å; R259-L262 HydrophobicContact CG-CD1 4.36Å; R259-L262 WeakPolarHBondContact O-CB 3.41Å; R259-L262 PolarHBondContact O-N 2.85Å; R259-L262 VanDerWaalsContact O-N 3.16Å; P260-L262 VanDerWaalsContact C-N 3.28Å; P260-L262 PolarHBondContact O-N 3.16Å; L262-H266 VanDerWaalsContact O-CB 3.25Å; L262-H266 WeakPolarHBondContact O-CB 3.22Å; L262-H266 PolarHBondContact O-N 2.85Å
263	L	65.5	Low	61.3	Low	28 Å²	28	68.4 Å²	68.4	15%	0.147	38%	0.382	C	S	.	.	H	α-helix	trans	-61.5	-46.1	168.8	174.1	62.8	0	0	0	110.6	H248 C250 F257 R259 P260 H266 M267	H248-L263 HydrophobicContact CB-CB 4.1Å; H248-L263 HydrophobicContact CB-CD2 3.64Å; H248-L263 HydrophobicContact CB-CG 4.43Å; C250-L263 HydrophobicContact CB-CD1 4.16Å; F257-L263 HydrophobicContact CB-CB 4.12Å; F257-L263 HydrophobicContact CD2-CB 4.22Å; F257-L263 HydrophobicContact CD2-CD1 3.98Å; F257-L263 HydrophobicContact CE2-CD1 4.4Å; F257-L263 HydrophobicContact CG-CB 4.34Å; R259-L263 PolarHBondContact O-N 2.88Å; P260-L263 WeakPolarHBondContact O-CB 3.14Å; P260-L263 PolarHBondContact O-N 3.1Å; P260-L263 VanDerWaalsContact O-N 3.15Å; L263-H266 CarbonylContact O-C 3.54Å; L263-H266 WeakPolarHBondContact O-CA 3.41Å; L263-H266 WeakPolarHBondContact O-CB 3.44Å; L263-H266 PolarHBondContact O-N 3.21Å; L263-H266 VanDerWaalsContact O-N 3.12Å; L263-M267 HydrophobicContact CD1-CG 3.95Å; L263-M267 HydrophobicContact CD1-SD 4.1Å; L263-M267 HydrophobicContact CG-CG 4.16Å; L263-M267 WeakPolarHBondContact O-CG 3.37Å; L263-M267 PolarHBondContact O-N 3.28Å
264	Q	65	Low	61.3	Low	119 Å²	119	72.4 Å²	72.4	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-62.9	-45.6	-178.8	-164.2	-171.9	27.4	0	0	112.2	P260 W261 H266 M267 R268	P260-Q264 PolarHBondContact O-N 2.9Å; W261-Q264 PolarHBondContact O-N 3.48Å; Q264-H266 PolarHBondContact O-N 3.41Å; Q264-M267 PolarHBondContact O-N 3.49Å; Q264-R268 PolarHBondContact O-N 3.28Å; Q264-R268 VanDerWaalsContact O-N 3.13Å
265	G	65.4	Low	61.6	Low	14 Å²	14	73.9 Å²	73.9	14%	0.144	39%	0.394	C	S	.	.	H	α-helix	trans	-63.5	-27.4	173.6	0	0	0	0	0	113.4	W261	W261-G265 PolarHBondContact O-N 3.33Å
266	H	69.8	Low	61.7	Low	19 Å²	19	70.6 Å²	70.6	9%	0.088	38%	0.38	C	S	.	.	H	α-helix	trans	-80.3	-34.2	170.6	168.5	55.8	0	0	0	113.3	C250 C253 F257 L262 L263 Q264 R268 S269 H270	C250-H266 VanDerWaalsContact CB-NE2 3.31Å; C250-H266 WeakPolarHBondContact CB-NE2 3.48Å; C250-H266 PolarHBondContact SG-NE2 3.17Å; C250-H266 VanDerWaalsContact SG-NE2 3.42Å; C253-H266 VanDerWaalsContact SG-CE1 3.53Å; C253-H266 PolarHBondContact SG-NE2 2.94Å; F257-H266 HydrophobicContact CE1-CB 3.95Å; F257-H266 HydrophobicContact CE2-CB 3.98Å; F257-H266 AromaticContact CE2-CD2 3.07Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.39Å; F257-H266 AromaticContact CE2-CG 3.58Å; F257-H266 AromaticContact CE2-NE2 3.76Å; F257-H266 HydrophobicContact CZ-CB 3.58Å; F257-H266 AromaticContact CZ-CD2 3.31Å; F257-H266 WeakPolarHBondContact CZ-CD2 3.15Å; F257-H266 AromaticContact CZ-CG 3.29Å; F257-H266 AromaticContact CZ-ND1 3.96Å; F257-H266 AromaticContact CZ-NE2 3.94Å; L262-H266 VanDerWaalsContact O-CB 3.25Å; L262-H266 WeakPolarHBondContact O-CB 3.22Å; L262-H266 PolarHBondContact O-N 2.85Å; L263-H266 CarbonylContact O-C 3.54Å; L263-H266 WeakPolarHBondContact O-CA 3.41Å; L263-H266 WeakPolarHBondContact O-CB 3.44Å; L263-H266 PolarHBondContact O-N 3.21Å; L263-H266 VanDerWaalsContact O-N 3.12Å; Q264-H266 PolarHBondContact O-N 3.41Å; H266-R268 PolarHBondContact O-N 2.95Å; H266-S269 PolarHBondContact ND1-OG 3.45Å; H266-S269 WeakPolarHBondContact O-CA 3.39Å; H266-S269 WeakPolarHBondContact O-CB 3.43Å; H266-S269 PolarHBondContact O-N 2.8Å; H266-S269 PolarHBondContact O-OG 3.22Å; H266-H270 AromaticContact CE1-CD2 3.41Å; H266-H270 PolarHBondContact CE1-CD2 3.22Å; H266-H270 VanDerWaalsContact CE1-CD2 3.41Å; H266-H270 AromaticContact CE1-NE2 3.24Å; H266-H270 PolarHBondContact CE1-NE2 3Å; H266-H270 AromaticContact NE2-CD2 3.55Å; H266-H270 AromaticContact NE2-NE2 3.45Å; H266-H270 PolarHBondContact NE2-NE2 3.47Å; H266-H270 PolarHBondContact O-N 2.97Å
267	M	61.6	Low	61.8	Low	65 Å²	65	68.9 Å²	68.9	32%	0.32	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-34.4	173.3	-71.3	-57.2	-62.7	0	0	110.9	C250 V252 L263 Q264 S269 H270 T271	C250-M267 HydrophobicContact CB-SD 4.46Å; V252-M267 HydrophobicContact CG2-CE 4.39Å; L263-M267 HydrophobicContact CD1-CG 3.95Å; L263-M267 HydrophobicContact CD1-SD 4.1Å; L263-M267 HydrophobicContact CG-CG 4.16Å; L263-M267 WeakPolarHBondContact O-CG 3.37Å; L263-M267 PolarHBondContact O-N 3.28Å; Q264-M267 PolarHBondContact O-N 3.49Å; M267-S269 PolarHBondContact O-N 2.94Å; M267-H270 CarbonylContact O-C 3.51Å; M267-H270 WeakPolarHBondContact O-CA 3.39Å; M267-H270 WeakPolarHBondContact O-CB 3.47Å; M267-H270 PolarHBondContact O-N 3Å; M267-T271 PolarHBondContact O-N 3.38Å; M267-T271 PolarHBondContact O-OG1 3.09Å
268	R	62.4	Low	62.2	Low	48 Å²	48	66.8 Å²	66.8	18%	0.181	36%	0.362	C	S	.	.	H	α-helix	trans	-57.7	-28.4	167.8	-67.5	177.7	-158.9	137.5	6.2	114	Q264 H266 H270 T271 G272 E273 A286	Q264-R268 PolarHBondContact O-N 3.28Å; Q264-R268 VanDerWaalsContact O-N 3.13Å; H266-R268 PolarHBondContact O-N 2.95Å; R268-H270 VanDerWaalsContact C-N 3.26Å; R268-H270 PolarHBondContact O-N 3.04Å; R268-T271 WeakPolarHBondContact CA-OG1 3.46Å; R268-G272 CarbonylContact O-C 3.46Å; R268-G272 WeakPolarHBondContact O-CA 3.49Å; R268-G272 PolarHBondContact O-N 2.88Å; R268-E273 WeakPolarHBondContact CB-O 3.38Å; R268-E273 HydrophobicContact CG-CB 4.47Å; R268-E273 PolarHBondContact O-N 3.15Å; R268-A286 HydrophobicContact CB-CB 3.98Å; R268-A286 WeakPolarHBondContact CD-O 3.28Å; R268-A286 PolarHBondContact NH1-O 2.85Å
269	S	62.3	Low	62.6	Low	76 Å²	76	68.9 Å²	68.9	53%	0.531	38%	0.383	S	S	.	.	H	α-helix	trans	-76.9	-10.1	172.4	74.2	0	0	0	0	114	H266 M267	H266-S269 PolarHBondContact ND1-OG 3.45Å; H266-S269 WeakPolarHBondContact O-CA 3.39Å; H266-S269 WeakPolarHBondContact O-CB 3.43Å; H266-S269 PolarHBondContact O-N 2.8Å; H266-S269 PolarHBondContact O-OG 3.22Å; M267-S269 PolarHBondContact O-N 2.94Å
270	H	61.6	Low	62.9	Low	78 Å²	78	70.6 Å²	70.6	36%	0.361	40%	0.395	S	S	.	.	H	α-helix	trans	-100.6	-37.8	170.3	-79.2	-69.6	0	0	0	113	C250 V252 C253 H266 M267 R268 G272	C250-H270 PolarHBondContact SG-CD2 3.22Å; V252-H270 WeakPolarHBondContact CG1-ND1 3.38Å; V252-H270 HydrophobicContact CG2-CB 4.46Å; C253-H270 PolarHBondContact SG-NE2 3.13Å; H266-H270 AromaticContact CE1-CD2 3.41Å; H266-H270 PolarHBondContact CE1-CD2 3.22Å; H266-H270 VanDerWaalsContact CE1-CD2 3.41Å; H266-H270 AromaticContact CE1-NE2 3.24Å; H266-H270 PolarHBondContact CE1-NE2 3Å; H266-H270 AromaticContact NE2-CD2 3.55Å; H266-H270 AromaticContact NE2-NE2 3.45Å; H266-H270 PolarHBondContact NE2-NE2 3.47Å; H266-H270 PolarHBondContact O-N 2.97Å; M267-H270 CarbonylContact O-C 3.51Å; M267-H270 WeakPolarHBondContact O-CA 3.39Å; M267-H270 WeakPolarHBondContact O-CB 3.47Å; M267-H270 PolarHBondContact O-N 3Å; R268-H270 VanDerWaalsContact C-N 3.26Å; R268-H270 PolarHBondContact O-N 3.04Å; H270-G272 VanDerWaalsContact C-N 3.28Å
271	T	58	Low	63.2	Low	81 Å²	81	70.9 Å²	70.9	50%	0.497	40%	0.398	S	S	.	.	H	α-helix	trans	-76.8	-14.3	174.4	57.9	0	0	0	0	113	M267 R268 E273	M267-T271 PolarHBondContact O-N 3.38Å; M267-T271 PolarHBondContact O-OG1 3.09Å; R268-T271 WeakPolarHBondContact CA-OG1 3.46Å; T271-E273 WeakPolarHBondContact CB-OE2 3.39Å; T271-E273 PolarHBondContact O-N 3.28Å; T271-E273 WeakPolarHBondContact OG1-CG 3.45Å; T271-E273 PolarHBondContact OG1-OE2 2.93Å
272	G	57.7	Low	63.3	Low	47 Å²	47	68.3 Å²	68.3	49%	0.485	41%	0.408	S	S	.	.			trans	77.5	-2.7	-176.5	0	0	0	0	0	114.1	R268 H270 K274	R268-G272 CarbonylContact O-C 3.46Å; R268-G272 WeakPolarHBondContact O-CA 3.49Å; R268-G272 PolarHBondContact O-N 2.88Å; H270-G272 VanDerWaalsContact C-N 3.28Å; G272-K274 WeakPolarHBondContact O-CG 3.47Å; G272-K274 PolarHBondContact O-N 3.27Å
273	E	51.4	Low	63.6	Low	116 Å²	116	71.7 Å²	71.7	54%	0.542	42%	0.42	S	S	.	.			trans	-64.4	118.1	-176.7	-68	170.2	125.5	0	0	111.6	R268 T271 P275	R268-E273 WeakPolarHBondContact CB-O 3.38Å; R268-E273 HydrophobicContact CG-CB 4.47Å; R268-E273 PolarHBondContact O-N 3.15Å; T271-E273 WeakPolarHBondContact CB-OE2 3.39Å; T271-E273 PolarHBondContact O-N 3.28Å; T271-E273 WeakPolarHBondContact OG1-CG 3.45Å; T271-E273 PolarHBondContact OG1-OE2 2.93Å; E273-P275 VanDerWaalsContact C-CD 3.4Å; E273-P275 VanDerWaalsContact O-CD 3.26Å; E273-P275 WeakPolarHBondContact O-CD 3.48Å
274	K	60.8	Low	63.7	Low	131 Å²	131	72.3 Å²	72.3	57%	0.57	43%	0.429	S	S	*	.			trans	-119.6	69.9	-179.9	-68.8	158.5	175.9	177	0	110	G272 F276 A284 F285	G272-K274 WeakPolarHBondContact O-CG 3.47Å; G272-K274 PolarHBondContact O-N 3.27Å; K274-F276 PolarHBondContact O-N 2.72Å; K274-F276 VanDerWaalsContact O-N 3.15Å; K274-A284 HydrophobicContact CB-CB 3.49Å; K274-A284 VanDerWaalsContact CB-CB 3.49Å; K274-A284 HydrophobicContact CD-CB 4.2Å; K274-A284 WeakPolarHBondContact CD-O 3.44Å; K274-A284 HydrophobicContact CG-CB 4.39Å; K274-F285 CarbonylContact C-O 3.57Å; K274-F285 WeakPolarHBondContact CA-O 3.48Å
275	P	66.3	Low	63.8	Low	83 Å²	83	69 Å²	69	54%	0.539	41%	0.413	S	S	.	.			trans	-65.7	-16.9	-176	26.8	-35	0	0	0	113.5	E273 G277	E273-P275 VanDerWaalsContact C-CD 3.4Å; E273-P275 VanDerWaalsContact O-CD 3.26Å; E273-P275 WeakPolarHBondContact O-CD 3.48Å; P275-G277 PolarHBondContact O-N 2.8Å
276	F	62	Low	63.8	Low	56 Å²	56	69.5 Å²	69.5	25%	0.246	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	76.7	-177.3	-59.1	-66.2	0	0	0	111.7	K274 F285 R288 L291	K274-F276 PolarHBondContact O-N 2.72Å; K274-F276 VanDerWaalsContact O-N 3.15Å; F276-F285 HydrophobicContact CB-CB 4.37Å; F276-F285 WeakPolarHBondContact CB-O 3.24Å; F276-F285 PolarHBondContact N-O 2.87Å; F276-F285 PolarHBondContact O-N 3.07Å; F276-R288 HydrophobicContact CE1-CB 4.3Å; F276-R288 HydrophobicContact CE2-CB 4.38Å; F276-R288 HydrophobicContact CZ-CB 4.22Å; F276-L291 HydrophobicContact CB-CB 4Å; F276-L291 HydrophobicContact CB-CD2 3.85Å; F276-L291 HydrophobicContact CB-CG 4.47Å; F276-L291 HydrophobicContact CD1-CD2 4.49Å
277	G	61.2	Low	63.7	Low	45 Å²	45	70 Å²	70	46%	0.464	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	139.6	170.8	0	0	0	0	0	113.2	P275	P275-G277 PolarHBondContact O-N 2.8Å
278	C	69.5	Low	64.2	Low	4 Å²	4	74.3 Å²	74.3	3%	0.027	43%	0.431	C	S	.	.			trans	-82.8	116.5	163.7	-179.7	0	0	0	0	110.3	H280 C281 G282 K283 L291 H294 M295	C278-H280 PolarHBondContact O-N 2.86Å; C278-H280 PolarHBondContact SG-N 3.1Å; C278-H280 VanDerWaalsContact SG-N 3.39Å; C278-C281 PolarHBondContact O-N 3.1Å; C278-G282 WeakPolarHBondContact O-CA 3.49Å; C278-G282 PolarHBondContact O-N 3.21Å; C278-K283 WeakPolarHBondContact CB-O 3.41Å; C278-K283 PolarHBondContact N-O 3.39Å; C278-L291 HydrophobicContact CB-CD1 4.01Å; C278-H294 WeakPolarHBondContact CB-NE2 3.16Å; C278-H294 PolarHBondContact SG-NE2 3.2Å; C278-H294 VanDerWaalsContact SG-NE2 3.37Å; C278-M295 HydrophobicContact CB-SD 4.45Å
279	A	66	Low	64.7	Low	108 Å²	108	74.6 Å²	74.6	89%	0.893	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.6	176.3	0	0	0	0	0	114.2
280	H	64	Low	65.1	Low	147 Å²	147	75.2 Å²	75.2	68%	0.681	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-4.1	-173.9	-133.8	48.8	0	0	0	114.4	C278 H298	C278-H280 PolarHBondContact O-N 2.86Å; C278-H280 PolarHBondContact SG-N 3.1Å; C278-H280 VanDerWaalsContact SG-N 3.39Å; H280-H298 AromaticContact CD2-ND1 3.61Å
281	C	69	Low	65.7	Low	53 Å²	53	73 Å²	73	36%	0.358	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.7	9.5	172.3	69.6	0	0	0	0	115.8	C278 K283 H294 H298	C278-C281 PolarHBondContact O-N 3.1Å; C281-K283 PolarHBondContact O-N 3.36Å; C281-K283 WeakPolarHBondContact SG-CG 3.48Å; C281-H294 VanDerWaalsContact SG-CE1 3.6Å; C281-H294 PolarHBondContact SG-NE2 2.9Å; C281-H298 PolarHBondContact SG-NE2 3.12Å
282	G	67.3	Low	66.4	Low	63 Å²	63	77.6 Å²	77.6	65%	0.649	44%	0.437	S	S	*	.			trans	68.1	-5	-179	0	0	0	0	0	115.7	C278 A284	C278-G282 WeakPolarHBondContact O-CA 3.49Å; C278-G282 PolarHBondContact O-N 3.21Å; G282-A284 PolarHBondContact O-N 2.89Å; G282-A284 VanDerWaalsContact O-N 3.15Å
283	K	68.5	Low	67.1	Low	125 Å²	125	76.5 Å²	76.5	54%	0.543	42%	0.424	S	S	.	.			trans	-63.3	119.4	178.9	-69.7	-179.8	-163.5	-57.7	0	109.9	C278 C281 F285	C278-K283 WeakPolarHBondContact CB-O 3.41Å; C278-K283 PolarHBondContact N-O 3.39Å; C281-K283 PolarHBondContact O-N 3.36Å; C281-K283 WeakPolarHBondContact SG-CG 3.48Å; K283-F285 HydrophobicContact CB-CE2 3.72Å; K283-F285 HydrophobicContact CB-CZ 3.98Å; K283-F285 WeakPolarHBondContact O-CD2 3.22Å; K283-F285 WeakPolarHBondContact O-CE2 3.48Å
284	A	68.8	Low	68.3	Low	41 Å²	41	72 Å²	72	34%	0.339	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135	-176.1	0	0	0	0	0	111.5	K274 G282	K274-A284 HydrophobicContact CB-CB 3.49Å; K274-A284 VanDerWaalsContact CB-CB 3.49Å; K274-A284 HydrophobicContact CD-CB 4.2Å; K274-A284 WeakPolarHBondContact CD-O 3.44Å; K274-A284 HydrophobicContact CG-CB 4.39Å; G282-A284 PolarHBondContact O-N 2.89Å; G282-A284 VanDerWaalsContact O-N 3.15Å
285	F	65.8	Low	68.6	Low	50 Å²	50	69.7 Å²	69.7	22%	0.219	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.9	-173.1	-61.2	-92.7	0	0	0	111.8	K274 F276 K283 D287 N290 L291 H294	K274-F285 CarbonylContact C-O 3.57Å; K274-F285 WeakPolarHBondContact CA-O 3.48Å; F276-F285 HydrophobicContact CB-CB 4.37Å; F276-F285 WeakPolarHBondContact CB-O 3.24Å; F276-F285 PolarHBondContact N-O 2.87Å; F276-F285 PolarHBondContact O-N 3.07Å; K283-F285 HydrophobicContact CB-CE2 3.72Å; K283-F285 HydrophobicContact CB-CZ 3.98Å; K283-F285 WeakPolarHBondContact O-CD2 3.22Å; K283-F285 WeakPolarHBondContact O-CE2 3.48Å; F285-D287 VanDerWaalsContact C-N 3.34Å; F285-N290 HydrophobicContact CB-CB 4.3Å; F285-N290 HydrophobicContact CD1-CB 3.94Å; F285-N290 HydrophobicContact CG-CB 4.4Å; F285-L291 HydrophobicContact CD2-CB 4.41Å; F285-L291 HydrophobicContact CD2-CD1 4.09Å; F285-L291 HydrophobicContact CE2-CD1 4.44Å; F285-H294 HydrophobicContact CE1-CB 4.13Å; F285-H294 HydrophobicContact CE2-CB 3.94Å; F285-H294 AromaticContact CE2-CD2 3.17Å; F285-H294 WeakPolarHBondContact CE2-CD2 3.4Å; F285-H294 AromaticContact CE2-CG 3.63Å; F285-H294 AromaticContact CE2-NE2 3.89Å; F285-H294 HydrophobicContact CZ-CB 3.57Å; F285-H294 AromaticContact CZ-CD2 3.43Å; F285-H294 VanDerWaalsContact CZ-CD2 3.43Å; F285-H294 WeakPolarHBondContact CZ-CD2 3.47Å; F285-H294 AromaticContact CZ-CG 3.38Å
286	A	65.9	Low	68.7	Low	24 Å²	24	69.5 Å²	69.5	20%	0.198	39%	0.387	C	S	.	.	S	Bend	trans	-79	-13.4	176.4	0	0	0	0	0	113.7	R268	R268-A286 HydrophobicContact CB-CB 3.98Å; R268-A286 WeakPolarHBondContact CD-O 3.28Å; R268-A286 PolarHBondContact NH1-O 2.85Å
287	D	68.1	Low	68.9	Low	28 Å²	28	70.2 Å²	70.2	15%	0.15	40%	0.396	C	S	.	.	S	Bend	trans	-141	145.7	-178.5	-177.6	45.2	0	0	0	113.6	F285 S289 N290 L291	F285-D287 VanDerWaalsContact C-N 3.34Å; D287-S289 VanDerWaalsContact C-N 3.3Å; D287-S289 PolarHBondContact O-N 3.43Å; D287-S289 WeakPolarHBondContact OD2-CB 3.4Å; D287-S289 PolarHBondContact OD2-N 3.05Å; D287-S289 PolarHBondContact OD2-OG 3.17Å; D287-N290 PolarHBondContact O-N 3.32Å; D287-L291 PolarHBondContact O-N 3.06Å
288	R	72.4	Confident	69.2	Low	156 Å²	156	71.1 Å²	71.1	59%	0.589	39%	0.388	S	S	*	.	H	α-helix	trans	-66.3	-29.9	-179.4	-167.2	175.5	-174.7	171.6	2.8	112.2	F276 R292	F276-R288 HydrophobicContact CE1-CB 4.3Å; F276-R288 HydrophobicContact CE2-CB 4.38Å; F276-R288 HydrophobicContact CZ-CB 4.22Å; R288-R292 WeakPolarHBondContact O-CB 3.45Å; R288-R292 PolarHBondContact O-N 2.98Å
289	S	72.4	Confident	68.7	Low	55 Å²	55	73.8 Å²	73.8	39%	0.385	41%	0.406	S	S	.	.	H	α-helix	trans	-65.4	-41.4	173.5	-36.7	0	0	0	0	111	D287 R292 A293	D287-S289 VanDerWaalsContact C-N 3.3Å; D287-S289 PolarHBondContact O-N 3.43Å; D287-S289 WeakPolarHBondContact OD2-CB 3.4Å; D287-S289 PolarHBondContact OD2-N 3.05Å; D287-S289 PolarHBondContact OD2-OG 3.17Å; S289-R292 PolarHBondContact O-N 2.83Å; S289-A293 VanDerWaalsContact O-CB 3.31Å; S289-A293 WeakPolarHBondContact O-CB 3.41Å; S289-A293 PolarHBondContact O-N 3.43Å
290	N	71.3	Confident	68.3	Low	88 Å²	88	72.8 Å²	72.8	47%	0.471	40%	0.398	S	S	.	.	H	α-helix	trans	-70.9	-38.5	178.5	-70.2	-26.4	0	0	0	111.9	F285 D287 A293 H294	F285-N290 HydrophobicContact CB-CB 4.3Å; F285-N290 HydrophobicContact CD1-CB 3.94Å; F285-N290 HydrophobicContact CG-CB 4.4Å; D287-N290 PolarHBondContact O-N 3.32Å; N290-A293 PolarHBondContact O-N 3.36Å; N290-H294 WeakPolarHBondContact O-CB 3.19Å; N290-H294 PolarHBondContact O-N 3.29Å
291	L	74.3	Confident	68	Low	31 Å²	31	71.9 Å²	71.9	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-61.3	-48.7	170.2	177.8	62	0	0	0	111.2	F276 C278 F285 D287 A293 H294 M295	F276-L291 HydrophobicContact CB-CB 4Å; F276-L291 HydrophobicContact CB-CD2 3.85Å; F276-L291 HydrophobicContact CB-CG 4.47Å; F276-L291 HydrophobicContact CD1-CD2 4.49Å; C278-L291 HydrophobicContact CB-CD1 4.01Å; F285-L291 HydrophobicContact CD2-CB 4.41Å; F285-L291 HydrophobicContact CD2-CD1 4.09Å; F285-L291 HydrophobicContact CE2-CD1 4.44Å; D287-L291 PolarHBondContact O-N 3.06Å; L291-A293 VanDerWaalsContact C-N 3.32Å; L291-A293 PolarHBondContact O-N 3.41Å; L291-H294 CarbonylContact O-C 3.36Å; L291-H294 PolarHBondContact O-N 3.17Å; L291-H294 VanDerWaalsContact O-N 3.09Å; L291-M295 HydrophobicContact CD1-CG 4.18Å; L291-M295 HydrophobicContact CD1-SD 4.18Å; L291-M295 HydrophobicContact CG-CG 4.36Å; L291-M295 WeakPolarHBondContact O-CG 3.37Å; L291-M295 PolarHBondContact O-N 3.49Å
292	R	72.6	Confident	67.4	Low	179 Å²	179	76 Å²	76	68%	0.675	40%	0.404	S	S	*	.	H	α-helix	trans	-58.2	-43.5	177.4	178.6	-179.7	-77.4	170.8	-5.7	111.9	R288 S289 H294 M295 Q296	R288-R292 WeakPolarHBondContact O-CB 3.45Å; R288-R292 PolarHBondContact O-N 2.98Å; S289-R292 PolarHBondContact O-N 2.83Å; R292-H294 VanDerWaalsContact C-N 3.31Å; R292-H294 PolarHBondContact O-N 2.87Å; R292-M295 PolarHBondContact O-N 3.04Å; R292-Q296 PolarHBondContact O-N 3.12Å
293	A	71.7	Confident	67.4	Low	24 Å²	24	78.9 Å²	78.9	20%	0.198	40%	0.401	C	S	.	.	H	α-helix	trans	-58.8	-42.8	174.8	0	0	0	0	0	111.9	S289 N290 L291 Q296 L315	S289-A293 VanDerWaalsContact O-CB 3.31Å; S289-A293 WeakPolarHBondContact O-CB 3.41Å; S289-A293 PolarHBondContact O-N 3.43Å; N290-A293 PolarHBondContact O-N 3.36Å; L291-A293 VanDerWaalsContact C-N 3.32Å; L291-A293 PolarHBondContact O-N 3.41Å; A293-Q296 WeakPolarHBondContact O-CB 3.4Å; A293-Q296 PolarHBondContact O-N 2.74Å; A293-L315 HydrophobicContact CB-CD2 3.53Å
294	H	75.7	Confident	67.1	Low	21 Å²	21	76 Å²	76	10%	0.097	39%	0.388	C	S	.	.	H	α-helix	trans	-73.1	-32.9	178.1	168.5	55.9	0	0	0	113.7	C278 C281 F285 N290 L291 R292 Q296 T297 H298	C278-H294 WeakPolarHBondContact CB-NE2 3.16Å; C278-H294 PolarHBondContact SG-NE2 3.2Å; C278-H294 VanDerWaalsContact SG-NE2 3.37Å; C281-H294 VanDerWaalsContact SG-CE1 3.6Å; C281-H294 PolarHBondContact SG-NE2 2.9Å; F285-H294 HydrophobicContact CE1-CB 4.13Å; F285-H294 HydrophobicContact CE2-CB 3.94Å; F285-H294 AromaticContact CE2-CD2 3.17Å; F285-H294 WeakPolarHBondContact CE2-CD2 3.4Å; F285-H294 AromaticContact CE2-CG 3.63Å; F285-H294 AromaticContact CE2-NE2 3.89Å; F285-H294 HydrophobicContact CZ-CB 3.57Å; F285-H294 AromaticContact CZ-CD2 3.43Å; F285-H294 VanDerWaalsContact CZ-CD2 3.43Å; F285-H294 WeakPolarHBondContact CZ-CD2 3.47Å; F285-H294 AromaticContact CZ-CG 3.38Å; N290-H294 WeakPolarHBondContact O-CB 3.19Å; N290-H294 PolarHBondContact O-N 3.29Å; L291-H294 CarbonylContact O-C 3.36Å; L291-H294 PolarHBondContact O-N 3.17Å; L291-H294 VanDerWaalsContact O-N 3.09Å; R292-H294 VanDerWaalsContact C-N 3.31Å; R292-H294 PolarHBondContact O-N 2.87Å; H294-Q296 PolarHBondContact O-N 3.45Å; H294-T297 PolarHBondContact ND1-OG1 2.86Å; H294-T297 WeakPolarHBondContact O-CA 3.3Å; H294-T297 WeakPolarHBondContact O-CB 3.29Å; H294-T297 PolarHBondContact O-N 3.15Å; H294-T297 PolarHBondContact O-OG1 2.84Å; H294-H298 AromaticContact CE1-CD2 3.41Å; H294-H298 PolarHBondContact CE1-CD2 3.3Å; H294-H298 VanDerWaalsContact CE1-CD2 3.41Å; H294-H298 AromaticContact CE1-NE2 3.25Å; H294-H298 PolarHBondContact CE1-NE2 2.81Å; H294-H298 AromaticContact NE2-CD2 3.56Å; H294-H298 AromaticContact NE2-NE2 3.44Å; H294-H298 PolarHBondContact NE2-NE2 2.96Å; H294-H298 PolarHBondContact O-N 2.96Å
295	M	68.8	Low	67.1	Low	83 Å²	83	79.1 Å²	79.1	41%	0.409	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-30.4	172.9	-65.7	-56.5	-71.2	0	0	111.8	C278 L291 R292 T297 H298 S299	C278-M295 HydrophobicContact CB-SD 4.45Å; L291-M295 HydrophobicContact CD1-CG 4.18Å; L291-M295 HydrophobicContact CD1-SD 4.18Å; L291-M295 HydrophobicContact CG-CG 4.36Å; L291-M295 WeakPolarHBondContact O-CG 3.37Å; L291-M295 PolarHBondContact O-N 3.49Å; R292-M295 PolarHBondContact O-N 3.04Å; M295-T297 PolarHBondContact O-N 3.16Å; M295-H298 PolarHBondContact O-N 3.11Å; M295-S299 PolarHBondContact O-N 3.47Å
296	Q	66.8	Low	67.4	Low	79 Å²	79	76.7 Å²	76.7	37%	0.369	39%	0.385	S	S	.	.	H	α-helix	trans	-70.7	-3.9	170	-64.7	-176.2	-24.9	0	0	114.2	R292 A293 H294 A314	R292-Q296 PolarHBondContact O-N 3.12Å; A293-Q296 WeakPolarHBondContact O-CB 3.4Å; A293-Q296 PolarHBondContact O-N 2.74Å; H294-Q296 PolarHBondContact O-N 3.45Å; Q296-A314 WeakPolarHBondContact O-CB 3.43Å
297	T	67.5	Low	67.6	Low	70 Å²	70	84.9 Å²	84.9	43%	0.429	42%	0.416	S	S	.	.	H	α-helix	trans	-96.9	-21.2	169.9	68.4	0	0	0	0	113.1	H294 M295 A314 L315	H294-T297 PolarHBondContact ND1-OG1 2.86Å; H294-T297 WeakPolarHBondContact O-CA 3.3Å; H294-T297 WeakPolarHBondContact O-CB 3.29Å; H294-T297 PolarHBondContact O-N 3.15Å; H294-T297 PolarHBondContact O-OG1 2.84Å; M295-T297 PolarHBondContact O-N 3.16Å; T297-A314 HydrophobicContact CG2-CB 4.15Å; T297-L315 HydrophobicContact CG2-CD1 4.01Å
298	H	66.8	Low	67.6	Low	65 Å²	65	91 Å²	91	30%	0.301	44%	0.437	S	S	.	.	H	α-helix	trans	-83.4	-49.5	169.9	-82.5	-72	0	0	0	111.7	H280 C281 H294 M295 A300	H280-H298 AromaticContact CD2-ND1 3.61Å; C281-H298 PolarHBondContact SG-NE2 3.12Å; H294-H298 AromaticContact CE1-CD2 3.41Å; H294-H298 PolarHBondContact CE1-CD2 3.3Å; H294-H298 VanDerWaalsContact CE1-CD2 3.41Å; H294-H298 AromaticContact CE1-NE2 3.25Å; H294-H298 PolarHBondContact CE1-NE2 2.81Å; H294-H298 AromaticContact NE2-CD2 3.56Å; H294-H298 AromaticContact NE2-NE2 3.44Å; H294-H298 PolarHBondContact NE2-NE2 2.96Å; H294-H298 PolarHBondContact O-N 2.96Å; M295-H298 PolarHBondContact O-N 3.11Å; H298-A300 PolarHBondContact O-N 3.35Å
299	S	59.8	Low	67.8	Low	60 Å²	60	85.6 Å²	85.6	42%	0.42	42%	0.423	S	S	.	.	S	Bend	trans	-72.7	109.7	172.8	-159	0	0	0	0	108.3	M295 F301	M295-S299 PolarHBondContact O-N 3.47Å; S299-F301 PolarHBondContact O-N 2.78Å; S299-F301 VanDerWaalsContact OG-CD2 3.25Å; S299-F301 WeakPolarHBondContact OG-CD2 3.44Å; S299-F301 VanDerWaalsContact OG-CE2 3.28Å; S299-F301 WeakPolarHBondContact OG-CE2 3.44Å
300	A	57.8	Low	67.8	Low	87 Å²	87	90.8 Å²	90.8	72%	0.719	44%	0.438	S	S	*	.			trans	-68.6	15.4	-160.3	0	0	0	0	0	116.7	H298 K302	H298-A300 PolarHBondContact O-N 3.35Å; A300-K302 PolarHBondContact O-N 2.81Å
301	F	56.5	Low	67.8	Low	127 Å²	127	91.7 Å²	91.7	56%	0.557	44%	0.438	S	S	*	.			trans	-70	89.5	-180	-63.2	-89.1	0	0	0	112.6	S299 H303	S299-F301 PolarHBondContact O-N 2.78Å; S299-F301 VanDerWaalsContact OG-CD2 3.25Å; S299-F301 WeakPolarHBondContact OG-CD2 3.44Å; S299-F301 VanDerWaalsContact OG-CE2 3.28Å; S299-F301 WeakPolarHBondContact OG-CE2 3.44Å; F301-H303 WeakPolarHBondContact CB-CE1 3.43Å; F301-H303 WeakPolarHBondContact CB-ND1 3.44Å; F301-H303 AromaticContact CD1-NE2 3.84Å; F301-H303 AromaticContact CG-CE1 3.74Å; F301-H303 PolarHBondContact O-N 3.19Å; F301-H303 PolarHBondContact O-ND1 3.26Å
302	K	57.1	Low	67.6	Low	141 Å²	141	92.5 Å²	92.5	61%	0.613	45%	0.446	S	S	*	.			trans	-73.1	59.2	171.9	-61.4	170.7	-175.2	168.5	0	111.7	A300 F304 F313	A300-K302 PolarHBondContact O-N 2.81Å; K302-F304 PolarHBondContact O-N 3.31Å; K302-F304 VanDerWaalsContact O-N 3.15Å; K302-F313 CarbonylContact C-O 3.49Å
303	H	66	Low	67.4	Low	123 Å²	123	86.2 Å²	86.2	57%	0.569	42%	0.424	S	S	*	.			trans	-58.1	-26.8	-172.9	-70.5	118.1	0	0	0	114.8	F301 Q305	F301-H303 WeakPolarHBondContact CB-CE1 3.43Å; F301-H303 WeakPolarHBondContact CB-ND1 3.44Å; F301-H303 AromaticContact CD1-NE2 3.84Å; F301-H303 AromaticContact CG-CE1 3.74Å; F301-H303 PolarHBondContact O-N 3.19Å; F301-H303 PolarHBondContact O-ND1 3.26Å; H303-Q305 PolarHBondContact O-N 3.26Å
304	F	63.1	Low	67.4	Low	65 Å²	65	86 Å²	86	29%	0.285	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	85.6	-169.4	-62.9	-73.9	0	0	0	111.6	K302 F313 A314 K316 L319	K302-F304 PolarHBondContact O-N 3.31Å; K302-F304 VanDerWaalsContact O-N 3.15Å; F304-F313 HydrophobicContact CB-CB 4.41Å; F304-F313 WeakPolarHBondContact CB-O 3.43Å; F304-F313 PolarHBondContact N-O 3.11Å; F304-F313 WeakPolarHBondContact O-CD2 3.23Å; F304-F313 PolarHBondContact O-N 3.33Å; F304-A314 WeakPolarHBondContact CD2-O 3.01Å; F304-K316 HydrophobicContact CD1-CB 3.88Å; F304-K316 HydrophobicContact CD1-CG 4.24Å; F304-K316 HydrophobicContact CD2-CB 4.38Å; F304-K316 VanDerWaalsContact CD2-N 3.33Å; F304-K316 HydrophobicContact CE1-CB 3.79Å; F304-K316 HydrophobicContact CE1-CD 4.37Å; F304-K316 HydrophobicContact CE1-CG 4.25Å; F304-K316 HydrophobicContact CE2-CB 4.29Å; F304-K316 HydrophobicContact CG-CB 4.18Å; F304-K316 HydrophobicContact CZ-CB 4Å; F304-L319 HydrophobicContact CB-CB 4.06Å; F304-L319 HydrophobicContact CB-CD2 4.07Å; F304-L319 HydrophobicContact CD1-CD2 4.49Å
305	Q	67.8	Low	67.1	Low	105 Å²	105	86 Å²	86	49%	0.491	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.4	175.9	-170.6	173.7	60.5	0	0	112.8	H303 K307 K310 S312	H303-Q305 PolarHBondContact O-N 3.26Å; Q305-K307 PolarHBondContact O-N 3.14Å; Q305-K310 WeakPolarHBondContact CG-O 3.48Å; Q305-K310 PolarHBondContact NE2-O 3Å; Q305-S312 WeakPolarHBondContact CG-OG 3.47Å; Q305-S312 PolarHBondContact NE2-OG 2.79Å
306	C	72.5	Confident	67.4	Low	0 Å²	0	88.3 Å²	88.3	0%	0	43%	0.431	C	S	.	.			trans	-75.4	112.1	168.4	-176.9	0	0	0	0	110.6	R308 C309 K310 K311 F313 L319 C327	C306-R308 PolarHBondContact O-N 3.2Å; C306-C309 PolarHBondContact O-N 3.04Å; C306-K310 WeakPolarHBondContact O-CA 3.46Å; C306-K310 PolarHBondContact O-N 3.46Å; C306-K311 PolarHBondContact N-O 3.16Å; C306-F313 HydrophobicContact CB-CE2 4.31Å; C306-L319 HydrophobicContact CB-CD1 3.68Å; C306-C327 PolarHBondContact SG-SG 3.03Å
307	K	70.9	Confident	67.9	Low	195 Å²	195	87.7 Å²	87.7	85%	0.848	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.6	-178.5	-67.1	-170	174.8	-171.2	0	114.6	Q305	Q305-K307 PolarHBondContact O-N 3.14Å
308	R	68.7	Low	68.3	Low	156 Å²	156	90.8 Å²	90.8	59%	0.589	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-21.1	-173	-179.6	177	178.9	103.2	-1.7	114.3	C306 C327	C306-R308 PolarHBondContact O-N 3.2Å; R308-C327 VanDerWaalsContact CB-SG 3.59Å; R308-C327 PolarHBondContact NE-O 3.01Å; R308-C327 VanDerWaalsContact NE-O 3.16Å
309	C	75	Confident	68.8	Low	43 Å²	43	89 Å²	89	29%	0.291	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	1.3	177.2	75	0	0	0	0	114.6	C306 K311 H322	C306-C309 PolarHBondContact O-N 3.04Å; C309-K311 PolarHBondContact O-N 2.9Å; C309-H322 PolarHBondContact SG-NE2 3.11Å
310	K	72.9	Confident	69.6	Low	164 Å²	164	89.5 Å²	89.5	71%	0.713	43%	0.431	S	S	*	.			trans	59	1.4	-177	-59.9	-178.4	179.8	179.3	0	116.5	Q305 C306 S312	Q305-K310 WeakPolarHBondContact CG-O 3.48Å; Q305-K310 PolarHBondContact NE2-O 3Å; C306-K310 WeakPolarHBondContact O-CA 3.46Å; C306-K310 PolarHBondContact O-N 3.46Å; K310-S312 PolarHBondContact O-N 3.14Å; K310-S312 PolarHBondContact O-OG 3.19Å
311	K	71.5	Confident	70.4	Confident	108 Å²	108	91.5 Å²	91.5	47%	0.47	42%	0.423	S	S	.	.			trans	-64.9	131.9	173	-63.8	-179	178.9	-178.2	0	110.3	C306 C309 F313	C306-K311 PolarHBondContact N-O 3.16Å; C309-K311 PolarHBondContact O-N 2.9Å; K311-F313 HydrophobicContact CB-CE2 3.99Å; K311-F313 HydrophobicContact CB-CZ 4.11Å; K311-F313 WeakPolarHBondContact O-CE2 3.09Å
312	S	70.3	Confident	71.4	Confident	47 Å²	47	86.5 Å²	86.5	33%	0.329	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.3	-174.9	-54.9	0	0	0	0	111.8	Q305 K310	Q305-S312 WeakPolarHBondContact CG-OG 3.47Å; Q305-S312 PolarHBondContact NE2-OG 2.79Å; K310-S312 PolarHBondContact O-N 3.14Å; K310-S312 PolarHBondContact O-OG 3.19Å
313	F	69	Low	72.3	Confident	47 Å²	47	85.7 Å²	85.7	21%	0.206	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	148.4	-173.8	-59.3	-89.7	0	0	0	111	K302 F304 C306 K311 L315 L319 H322	K302-F313 CarbonylContact C-O 3.49Å; F304-F313 HydrophobicContact CB-CB 4.41Å; F304-F313 WeakPolarHBondContact CB-O 3.43Å; F304-F313 PolarHBondContact N-O 3.11Å; F304-F313 WeakPolarHBondContact O-CD2 3.23Å; F304-F313 PolarHBondContact O-N 3.33Å; C306-F313 HydrophobicContact CB-CE2 4.31Å; K311-F313 HydrophobicContact CB-CE2 3.99Å; K311-F313 HydrophobicContact CB-CZ 4.11Å; K311-F313 WeakPolarHBondContact O-CE2 3.09Å; F313-L315 VanDerWaalsContact C-N 3.33Å; F313-L319 HydrophobicContact CD2-CB 4.29Å; F313-L319 HydrophobicContact CD2-CD1 3.95Å; F313-L319 HydrophobicContact CE2-CD1 4.32Å; F313-H322 HydrophobicContact CE1-CB 4.14Å; F313-H322 HydrophobicContact CE2-CB 3.97Å; F313-H322 AromaticContact CE2-CD2 3.75Å; F313-H322 AromaticContact CE2-CG 3.77Å; F313-H322 HydrophobicContact CZ-CB 3.54Å; F313-H322 AromaticContact CZ-CD2 3.83Å; F313-H322 AromaticContact CZ-CG 3.4Å; F313-H322 AromaticContact CZ-ND1 3.9Å
314	A	70.5	Confident	72.6	Confident	20 Å²	20	85.6 Å²	85.6	17%	0.165	40%	0.395	C	S	.	.	S	Bend	trans	-67.8	-31.6	173.4	0	0	0	0	0	112.7	Q296 T297 F304	Q296-A314 WeakPolarHBondContact O-CB 3.43Å; T297-A314 HydrophobicContact CG2-CB 4.15Å; F304-A314 WeakPolarHBondContact CD2-O 3.01Å
315	L	69.3	Low	72.8	Confident	22 Å²	22	87.1 Å²	87.1	12%	0.115	41%	0.414	C	S	.	.	S	Bend	trans	-128.4	143.8	-177.6	-70.2	110.4	0	0	0	113.7	A293 T297 F313 S317 Y318 L319	A293-L315 HydrophobicContact CB-CD2 3.53Å; T297-L315 HydrophobicContact CG2-CD1 4.01Å; F313-L315 VanDerWaalsContact C-N 3.33Å; L315-S317 PolarHBondContact O-N 3.13Å; L315-Y318 HydrophobicContact CB-CD2 3.86Å; L315-Y318 HydrophobicContact CB-CE2 4.29Å; L315-Y318 HydrophobicContact CD1-CD2 3.94Å; L315-Y318 HydrophobicContact CD1-CE2 3.6Å; L315-Y318 PolarHBondContact O-N 3.45Å; L315-Y318 VanDerWaalsContact O-N 3.15Å; L315-L319 PolarHBondContact O-N 3.44Å; L315-L319 VanDerWaalsContact O-N 3.09Å
316	K	76.2	Confident	72.7	Confident	130 Å²	130	84.2 Å²	84.2	57%	0.565	41%	0.408	S	S	*	.	H	α-helix	trans	-59.8	-30.3	174.2	-168.9	178.7	176.6	-175.1	0	113.1	F304 L319 N320	F304-K316 HydrophobicContact CD1-CB 3.88Å; F304-K316 HydrophobicContact CD1-CG 4.24Å; F304-K316 HydrophobicContact CD2-CB 4.38Å; F304-K316 VanDerWaalsContact CD2-N 3.33Å; F304-K316 HydrophobicContact CE1-CB 3.79Å; F304-K316 HydrophobicContact CE1-CD 4.37Å; F304-K316 HydrophobicContact CE1-CG 4.25Å; F304-K316 HydrophobicContact CE2-CB 4.29Å; F304-K316 HydrophobicContact CG-CB 4.18Å; F304-K316 HydrophobicContact CZ-CB 4Å; K316-L319 WeakPolarHBondContact O-CB 3.3Å; K316-L319 PolarHBondContact O-N 2.79Å; K316-N320 WeakPolarHBondContact O-CB 3.49Å; K316-N320 PolarHBondContact O-N 3.49Å; K316-N320 PolarHBondContact O-OD1 3.1Å
317	S	77	Confident	72.3	Confident	67 Å²	67	84.9 Å²	84.9	47%	0.469	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-40.8	174.8	49.1	0	0	0	0	112.4	L315 K321	L315-S317 PolarHBondContact O-N 3.13Å; S317-K321 WeakPolarHBondContact O-CG 3.16Å; S317-K321 PolarHBondContact O-N 2.83Å
318	Y	75.4	Confident	71.7	Confident	134 Å²	134	83.8 Å²	83.8	53%	0.525	41%	0.408	S	S	.	.	H	α-helix	trans	-71.3	-35.9	173.3	-59.4	-45.9	0	0	0	112	L315 H322	L315-Y318 HydrophobicContact CB-CD2 3.86Å; L315-Y318 HydrophobicContact CB-CE2 4.29Å; L315-Y318 HydrophobicContact CD1-CD2 3.94Å; L315-Y318 HydrophobicContact CD1-CE2 3.6Å; L315-Y318 PolarHBondContact O-N 3.45Å; L315-Y318 VanDerWaalsContact O-N 3.15Å; Y318-H322 VanDerWaalsContact O-CB 3.25Å; Y318-H322 WeakPolarHBondContact O-CB 3.44Å; Y318-H322 PolarHBondContact O-N 3.25Å
319	L	78.5	Confident	71.3	Confident	29 Å²	29	85.4 Å²	85.4	15%	0.152	42%	0.419	C	S	.	.	H	α-helix	trans	-58	-50.3	171.2	177.5	72.7	0	0	0	111.3	F304 C306 F313 L315 K316 H322 Y323	F304-L319 HydrophobicContact CB-CB 4.06Å; F304-L319 HydrophobicContact CB-CD2 4.07Å; F304-L319 HydrophobicContact CD1-CD2 4.49Å; C306-L319 HydrophobicContact CB-CD1 3.68Å; F313-L319 HydrophobicContact CD2-CB 4.29Å; F313-L319 HydrophobicContact CD2-CD1 3.95Å; F313-L319 HydrophobicContact CE2-CD1 4.32Å; L315-L319 PolarHBondContact O-N 3.44Å; L315-L319 VanDerWaalsContact O-N 3.09Å; K316-L319 WeakPolarHBondContact O-CB 3.3Å; K316-L319 PolarHBondContact O-N 2.79Å; L319-H322 PolarHBondContact O-N 3Å; L319-Y323 WeakPolarHBondContact O-CB 3.42Å; L319-Y323 PolarHBondContact O-N 2.9Å
320	N	75.7	Confident	70	Confident	70 Å²	70	87.1 Å²	87.1	37%	0.374	44%	0.444	S	S	.	.	H	α-helix	trans	-57.1	-55.7	177.6	-100.1	68.6	0	0	0	111.2	K316 H322 Y323 E324	K316-N320 WeakPolarHBondContact O-CB 3.49Å; K316-N320 PolarHBondContact O-N 3.49Å; K316-N320 PolarHBondContact O-OD1 3.1Å; N320-H322 PolarHBondContact O-N 2.82Å; N320-Y323 CarbonylContact O-C 3.57Å; N320-Y323 WeakPolarHBondContact O-CA 3.49Å; N320-Y323 VanDerWaalsContact O-CB 3.27Å; N320-Y323 WeakPolarHBondContact O-CB 3.38Å; N320-Y323 PolarHBondContact O-N 3.06Å; N320-E324 VanDerWaalsContact C-CD 3.41Å; N320-E324 WeakPolarHBondContact CB-OE1 3.34Å; N320-E324 PolarHBondContact ND2-OE1 2.79Å; N320-E324 WeakPolarHBondContact O-CB 3.44Å; N320-E324 WeakPolarHBondContact O-CG 3.3Å; N320-E324 PolarHBondContact O-N 3.35Å
321	K	73.7	Confident	68.5	Low	129 Å²	129	82.7 Å²	82.7	56%	0.561	45%	0.445	S	S	*	.	H	α-helix	trans	-57.7	-35.2	178.6	-72.4	-168.3	174.5	-159.6	0	112.9	S317 E324 S325	S317-K321 WeakPolarHBondContact O-CG 3.16Å; S317-K321 PolarHBondContact O-N 2.83Å; K321-E324 VanDerWaalsContact CA-OE2 3.31Å; K321-E324 WeakPolarHBondContact CA-OE2 3.44Å; K321-E324 PolarHBondContact N-OE2 3.38Å; K321-S325 WeakPolarHBondContact O-CB 3.47Å; K321-S325 PolarHBondContact O-N 2.91Å; K321-S325 PolarHBondContact O-OG 2.73Å
322	H	79	Confident	67.2	Low	22 Å²	22	83.1 Å²	83.1	10%	0.102	47%	0.469	C	S	.	.	H	α-helix	trans	-68.5	-40.1	172.9	170.6	69.2	0	0	0	112.7	C309 F313 Y318 L319 N320 E324 A326 C327	C309-H322 PolarHBondContact SG-NE2 3.11Å; F313-H322 HydrophobicContact CE1-CB 4.14Å; F313-H322 HydrophobicContact CE2-CB 3.97Å; F313-H322 AromaticContact CE2-CD2 3.75Å; F313-H322 AromaticContact CE2-CG 3.77Å; F313-H322 HydrophobicContact CZ-CB 3.54Å; F313-H322 AromaticContact CZ-CD2 3.83Å; F313-H322 AromaticContact CZ-CG 3.4Å; F313-H322 AromaticContact CZ-ND1 3.9Å; Y318-H322 VanDerWaalsContact O-CB 3.25Å; Y318-H322 WeakPolarHBondContact O-CB 3.44Å; Y318-H322 PolarHBondContact O-N 3.25Å; L319-H322 PolarHBondContact O-N 3Å; N320-H322 PolarHBondContact O-N 2.82Å; H322-E324 VanDerWaalsContact C-N 3.33Å; H322-A326 PolarHBondContact O-N 2.81Å; H322-C327 PolarHBondContact O-N 2.93Å
323	Y	75.4	Confident	66	Low	123 Å²	123	84 Å²	84	48%	0.482	49%	0.485	S	S	.	.	H	α-helix	trans	-63.8	-39.4	175.7	-138.6	-88.9	0	0	0	111.9	L319 N320	L319-Y323 WeakPolarHBondContact O-CB 3.42Å; L319-Y323 PolarHBondContact O-N 2.9Å; N320-Y323 CarbonylContact O-C 3.57Å; N320-Y323 WeakPolarHBondContact O-CA 3.49Å; N320-Y323 VanDerWaalsContact O-CB 3.27Å; N320-Y323 WeakPolarHBondContact O-CB 3.38Å; N320-Y323 PolarHBondContact O-N 3.06Å
324	E	72.1	Confident	64.8	Low	122 Å²	122	85 Å²	85	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-75.6	-44.8	-178.5	-69.4	143.2	-167	0	0	112.3	N320 K321 H322	N320-E324 VanDerWaalsContact C-CD 3.41Å; N320-E324 WeakPolarHBondContact CB-OE1 3.34Å; N320-E324 PolarHBondContact ND2-OE1 2.79Å; N320-E324 WeakPolarHBondContact O-CB 3.44Å; N320-E324 WeakPolarHBondContact O-CG 3.3Å; N320-E324 PolarHBondContact O-N 3.35Å; K321-E324 VanDerWaalsContact CA-OE2 3.31Å; K321-E324 WeakPolarHBondContact CA-OE2 3.44Å; K321-E324 PolarHBondContact N-OE2 3.38Å; H322-E324 VanDerWaalsContact C-N 3.33Å
325	S	67.8	Low	63.8	Low	97 Å²	97	89.3 Å²	89.3	68%	0.678	54%	0.536	S	S	*	.	H	α-helix	trans	-98.8	-33.2	-171.7	64.9	0	0	0	0	116	K321	K321-S325 WeakPolarHBondContact O-CB 3.47Å; K321-S325 PolarHBondContact O-N 2.91Å; K321-S325 PolarHBondContact O-OG 2.73Å
326	A	64.7	Low	62.5	Low	43 Å²	43	92.8 Å²	92.8	36%	0.355	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.2	-27	-160.5	0	0	0	0	0	114.5	H322 F328 K329	H322-A326 PolarHBondContact O-N 2.81Å; A326-F328 PolarHBondContact O-N 3.23Å; A326-F328 VanDerWaalsContact O-N 3.11Å; A326-K329 PolarHBondContact O-N 3Å
327	C	65.9	Low	61.1	Low	15 Å²	15	90.8 Å²	90.8	10%	0.101	58%	0.575	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	1.9	-170.9	-155.7	0	0	0	0	115.5	C306 R308 H322	C306-C327 PolarHBondContact SG-SG 3.03Å; R308-C327 VanDerWaalsContact CB-SG 3.59Å; R308-C327 PolarHBondContact NE-O 3.01Å; R308-C327 VanDerWaalsContact NE-O 3.16Å; H322-C327 PolarHBondContact O-N 2.93Å
328	F	58	Low	59.8	Low	172 Å²	172	93.5 Å²	93.5	75%	0.754	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-12.6	175.5	-109.2	-84	0	0	0	114.4	A326	A326-F328 PolarHBondContact O-N 3.23Å; A326-F328 VanDerWaalsContact O-N 3.11Å
329	K	60.1	Low	58.4	Low	189 Å²	189	91.2 Å²	91.2	82%	0.822	60%	0.6	S	S	*	*	S	Bend	trans	-126.2	125.2	-177.2	-62.9	-179.2	-179.1	-179.8	0	109.9	A326	A326-K329 PolarHBondContact O-N 3Å
330	G	46.4	Very low	57.4	Low	80 Å²	80	94.5 Å²	94.5	83%	0.825	62%	0.623	S	S	*	*			trans	98.5	92.7	178.1	0	0	0	0	0	114.5
331	G	42	Very low	56.5	Low	71 Å²	71	96.9 Å²	96.9	73%	0.732	64%	0.642	S	S	*	*			trans	-75.5	-177.3	140.9	0	0	0	0	0	110
332	A	44.3	Very low	54.9	Low	117 Å²	117	99.4 Å²	99.4	97%	0.967	66%	0.656	S	S	*	*	S	Bend	trans	57.9	93.1	-175.6	0	0	0	0	0	114
333	G	44	Very low	53.5	Low	64 Å²	64	106.3 Å²	106.3	66%	0.66	69%	0.693	S	S	*	*			trans	157.6	39.8	-178.6	0	0	0	0	0	113.7
334	G	44.3	Very low	52.5	Low	70 Å²	70	105.2 Å²	105.2	72%	0.722	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72.2	129	170.8	0	0	0	0	0	109.4	A336	G334-A336 PolarHBondContact O-N 3.06Å
335	P	50.7	Low	51.9	Low	110 Å²	110	104.6 Å²	104.6	71%	0.714	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-63	132.4	169.9	28	-32.8	0	0	0	108.4	A337	P335-A337 PolarHBondContact O-N 3.01Å
336	A	41.2	Very low	51.3	Low	95 Å²	95	106.8 Å²	106.8	79%	0.785	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-55	138.2	171.6	0	0	0	0	0	109.3	G334	G334-A336 PolarHBondContact O-N 3.06Å
337	A	46.6	Very low	51	Low	88 Å²	88	113.2 Å²	113.2	73%	0.727	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-62.3	136.2	172	0	0	0	0	0	108.5	P335 A339	P335-A337 PolarHBondContact O-N 3.01Å; A337-A339 PolarHBondContact O-N 2.83Å
338	P	49.7	Very low	50.1	Low	124 Å²	124	121 Å²	121	81%	0.805	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-58.8	128.3	166.8	27	-32.7	0	0	0	107.6
339	A	46.3	Very low	49.7	Very low	86 Å²	86	118.4 Å²	118.4	71%	0.711	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-58.6	144.8	176.8	0	0	0	0	0	109.7	A337	A337-A339 PolarHBondContact O-N 2.83Å
340	P	57.9	Low	49.2	Very low	98 Å²	98	114.7 Å²	114.7	64%	0.636	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-59.1	146.8	170.9	27.9	-34.6	0	0	0	109.4	Q342	P340-Q342 PolarHBondContact O-N 3.35Å; P340-Q342 VanDerWaalsContact O-N 3.1Å
341	P	55.6	Low	49.3	Very low	119 Å²	119	116.6 Å²	116.6	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-60.1	119	172.4	26.4	-33.1	0	0	0	108.6	L343	P341-L343 PolarHBondContact O-N 2.59Å; P341-L343 VanDerWaalsContact O-N 3.09Å
342	Q	40	Very low	49.8	Very low	183 Å²	183	119.3 Å²	119.3	86%	0.855	81%	0.812	S	S	*	*			trans	-66.4	109.7	173.7	-67.5	-74.7	29.5	0	0	107.9	P340 S344	P340-Q342 PolarHBondContact O-N 3.35Å; P340-Q342 VanDerWaalsContact O-N 3.1Å; Q342-S344 PolarHBondContact O-N 3.05Å
343	L	49.6	Very low	50.1	Low	166 Å²	166	119.4 Å²	119.4	87%	0.869	80%	0.802	S	S	*	*			trans	-67.6	102.4	166.7	-73.5	170	0	0	0	107.3	P341	P341-L343 PolarHBondContact O-N 2.59Å; P341-L343 VanDerWaalsContact O-N 3.09Å
344	S	54.7	Low	50.5	Low	100 Å²	100	123.1 Å²	123.1	70%	0.699	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-54.8	129.4	172.6	49.5	0	0	0	0	109.6	Q342 V346	Q342-S344 PolarHBondContact O-N 3.05Å; S344-V346 PolarHBondContact O-N 3.32Å
345	P	60.5	Low	51	Low	110 Å²	110	126.9 Å²	126.9	71%	0.714	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.5	130.8	174.8	27.1	-33.6	0	0	0	109.3	Q347	P345-Q347 PolarHBondContact O-N 2.59Å
346	V	55.8	Low	51	Low	142 Å²	142	128.2 Å²	128.2	86%	0.861	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-62.5	127.1	165.4	177.5	0	0	0	0	107.1	S344	S344-V346 PolarHBondContact O-N 3.32Å
347	Q	57.6	Low	51.8	Low	179 Å²	179	131 Å²	131	84%	0.836	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-100.4	145.1	177.3	-63.2	-172.5	-67.9	0	0	110.2	P345	P345-Q347 PolarHBondContact O-N 2.59Å
348	A	47.2	Very low	52.3	Low	177 Å²	177	134.9 Å²	134.9	100%	1.463	84%	0.838	S	S	*	*			trans	69.1	0	-175.8	0	0	0	0	0	114.5

Retrieved 348 of 348 residues in 47.8 ms (Link to these results)

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