A0A077ZFX3_TRITR Loading...

Poly(A) RNA polymerase mitochondrial-like central palm domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZFX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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	36.2	Very low	32.9	Very low	247 Å²	247	154.7 Å²	154.7	100%	1.217	87%	0.872	S	S	*	*				0	108.2	0	-79.4	171.1	169.6	0	0	106.7
2	M	31.4	Very low	32.8	Very low	192 Å²	192	157.6 Å²	157.6	95%	0.946	87%	0.873	S	S	*	*			trans	-102.3	112.9	177.6	-79.6	175.5	171	0	0	107.2
3	E	34	Very low	32.5	Very low	201 Å²	201	160.9 Å²	160.9	94%	0.939	87%	0.873	S	S	*	*			trans	-87	135	166.4	-83.4	-176.6	150	0	0	109.4
4	V	34.6	Very low	32.3	Very low	127 Å²	127	157.2 Å²	157.2	77%	0.77	86%	0.861	S	S	*	*			trans	-90.8	118.2	-172.3	174	0	0	0	0	108.6	M6	V4-M6 HydrophobicContact CG1-CG 4.32Å; V4-M6 PolarHBondContact O-N 3.41Å
5	D	32.6	Very low	32.1	Very low	169 Å²	169	153.7 Å²	153.7	90%	0.904	85%	0.853	S	S	*	*			trans	-76.2	113.4	165.7	-96.1	-31.7	0	0	0	109.6
6	M	33.9	Very low	32.1	Very low	163 Å²	163	151.8 Å²	151.8	80%	0.803	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-98.1	137.9	166.8	-81.1	-155	-66.5	0	0	111.2	V4	V4-M6 HydrophobicContact CG1-CG 4.32Å; V4-M6 PolarHBondContact O-N 3.41Å
7	P	31.7	Very low	32.2	Very low	126 Å²	126	150.3 Å²	150.3	82%	0.818	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-80.9	139.9	-173.9	32	-33.5	0	0	0	112.9	S9	P7-S9 PolarHBondContact O-N 3.43Å
8	V	32.4	Very low	32.6	Very low	148 Å²	148	148.1 Å²	148.1	90%	0.897	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69.8	116.5	174.6	179.4	0	0	0	0	110.1
9	S	30.7	Very low	32.8	Very low	104 Å²	104	144.6 Å²	144.6	73%	0.727	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-62.3	144.2	178.8	-179.4	0	0	0	0	113.8	P7	P7-S9 PolarHBondContact O-N 3.43Å
10	S	32	Very low	32.7	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-57.7	125.2	176.9	52.2	0	0	0	0	113.5	Q12	S10-Q12 PolarHBondContact O-N 3.33Å
11	S	32.6	Very low	32.9	Very low	119 Å²	119	141 Å²	141	83%	0.832	81%	0.81	S	S	*	*			trans	-75.3	114.5	173.9	22.4	0	0	0	0	111.6
12	Q	31.3	Very low	32.9	Very low	189 Å²	189	135.9 Å²	135.9	88%	0.883	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63.9	128.8	165.7	-77.1	176.8	-27.4	0	0	110.2	S10	S10-Q12 PolarHBondContact O-N 3.33Å
13	K	28.5	Very low	33.2	Very low	201 Å²	201	129.5 Å²	129.5	87%	0.874	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-67.2	125.8	172.9	-78.5	173.4	177.4	169	0	110.1	S15	K13-S15 PolarHBondContact O-N 3.47Å
14	P	29.9	Very low	33.7	Very low	109 Å²	109	126.5 Å²	126.5	71%	0.708	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70	126.4	171	25.9	-29.2	0	0	0	110	V16	P14-V16 PolarHBondContact O-N 3.22Å
15	S	29.6	Very low	34.6	Very low	105 Å²	105	121.9 Å²	121.9	73%	0.734	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-66.1	116.8	176.8	62.3	0	0	0	0	110.3	K13 V17	K13-S15 PolarHBondContact O-N 3.47Å; S15-V17 PolarHBondContact O-N 3.25Å
16	V	32	Very low	36.2	Very low	122 Å²	122	115.9 Å²	115.9	74%	0.739	73%	0.729	S	S	*	*			trans	-71.9	97	177.5	179.4	0	0	0	0	109.1	P14 V18	P14-V16 PolarHBondContact O-N 3.22Å; V16-V18 HydrophobicContact CG1-CG2 4.11Å; V16-V18 PolarHBondContact O-N 2.75Å
17	V	34.8	Very low	37.7	Very low	127 Å²	127	109.1 Å²	109.1	77%	0.77	70%	0.696	S	S	*	*			trans	-79.3	97.2	165.5	-177.2	0	0	0	0	107.3	S15 A19	S15-V17 PolarHBondContact O-N 3.25Å; V17-A19 PolarHBondContact O-N 3.05Å
18	V	38.3	Very low	39.6	Very low	111 Å²	111	105.1 Å²	105.1	67%	0.673	67%	0.666	S	S	*	*			trans	-62.9	117.9	165	178.9	0	0	0	0	106.6	V16 A20	V16-V18 HydrophobicContact CG1-CG2 4.11Å; V16-V18 PolarHBondContact O-N 2.75Å; V18-A20 PolarHBondContact O-N 3.3Å
19	A	36.3	Very low	41.8	Very low	81 Å²	81	103.4 Å²	103.4	67%	0.669	65%	0.646	S	S	*	*			trans	-68.7	77.5	175.7	0	0	0	0	0	110.2	V17	V17-A19 PolarHBondContact O-N 3.05Å
20	A	32.1	Very low	43.8	Very low	80 Å²	80	99.9 Å²	99.9	66%	0.661	62%	0.618	S	S	*	*			trans	-76.1	134.8	162.8	0	0	0	0	0	108.8	V18	V18-A20 PolarHBondContact O-N 3.3Å
21	D	35.3	Very low	45.7	Very low	133 Å²	133	94.9 Å²	94.9	71%	0.711	58%	0.583	S	S	*	*	S	Bend	trans	71	104.9	163.4	-75.2	-22.8	0	0	0	121.5	G23	D21-G23 PolarHBondContact O-N 2.96Å
22	N	36.6	Very low	47.9	Very low	141 Å²	141	94.4 Å²	94.4	75%	0.754	57%	0.566	S	S	*	*				63	17.5	114.9	-55.7	-23	0	0	0	120.5
23	G	38.3	Very low	50	Low	58 Å²	58	88.8 Å²	88.8	60%	0.598	54%	0.542	S	S	*	.			trans	-70.1	132.1	163.9	0	0	0	0	0	112.8	D21 G25	D21-G23 PolarHBondContact O-N 2.96Å; G23-G25 PolarHBondContact O-N 2.76Å
24	S	44	Very low	52	Low	137 Å²	137	80.7 Å²	80.7	96%	0.958	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	9.7	-174.6	56.9	0	0	0	0	118.1
25	G	53	Low	53.8	Low	31 Å²	31	75.5 Å²	75.5	32%	0.32	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.2	-173.4	0	0	0	0	0	117.2	G23 K29	G23-G25 PolarHBondContact O-N 2.76Å; G25-K29 WeakPolarHBondContact O-CB 3.36Å; G25-K29 PolarHBondContact O-N 2.9Å
26	G	66.4	Low	55.7	Low	42 Å²	42	75.5 Å²	75.5	43%	0.433	46%	0.464	S	S	.	.	H	α-helix	trans	63.9	-178.2	177.4	0	0	0	0	0	115.4	Q28 K29 F30	G26-Q28 PolarHBondContact O-N 3.07Å; G26-Q28 VanDerWaalsContact O-N 3.17Å; G26-K29 PolarHBondContact O-N 3.46Å; G26-K29 VanDerWaalsContact O-N 3.15Å; G26-F30 PolarHBondContact O-N 3.44Å
27	M	66.9	Low	57.5	Low	22 Å²	22	75 Å²	75	11%	0.108	46%	0.464	C	S	.	.	H	α-helix	trans	-52.9	-38.5	-175.6	-169.8	56.5	58	0	0	113.5	F30 I31 Y84 P102 F105	M27-F30 WeakPolarHBondContact O-CB 3.33Å; M27-F30 PolarHBondContact O-N 2.87Å; M27-F30 HydrophobicContact SD-CD1 4.33Å; M27-I31 HydrophobicContact CG-CD1 3.92Å; M27-I31 HydrophobicContact CG-CG1 4.43Å; M27-I31 VanDerWaalsContact O-CG1 3.31Å; M27-I31 WeakPolarHBondContact O-CG1 3.48Å; M27-I31 PolarHBondContact O-N 3.26Å; M27-Y84 HydrophobicContact CE-CE1 4.45Å; M27-P102 HydrophobicContact CE-CB 4.16Å; M27-P102 HydrophobicContact CE-CG 4.05Å; M27-P102 HydrophobicContact SD-CG 4.05Å; M27-F105 HydrophobicContact CE-CB 3.47Å; M27-F105 VanDerWaalsContact CE-CB 3.47Å; M27-F105 HydrophobicContact CE-CD2 3.92Å; M27-F105 HydrophobicContact CE-CG 4.17Å; M27-F105 HydrophobicContact SD-CB 4.41Å; M27-F105 HydrophobicContact SD-CD2 4.21Å
28	Q	70.3	Confident	58.6	Low	42 Å²	42	70.9 Å²	70.9	20%	0.196	44%	0.438	C	S	.	.	H	α-helix	trans	-69.7	-38.3	-176.4	-163.7	-148.4	15.4	0	0	111.8	G26 F30 I31 K32	G26-Q28 PolarHBondContact O-N 3.07Å; G26-Q28 VanDerWaalsContact O-N 3.17Å; Q28-F30 VanDerWaalsContact C-N 3.34Å; Q28-I31 PolarHBondContact O-N 3Å; Q28-K32 VanDerWaalsContact O-CB 3.29Å; Q28-K32 WeakPolarHBondContact O-CB 3.49Å; Q28-K32 PolarHBondContact O-N 3.03Å
29	K	78.3	Confident	59.6	Low	111 Å²	111	66.7 Å²	66.7	48%	0.483	42%	0.417	S	S	.	.	H	α-helix	trans	-61.7	-47.5	174.2	-178.4	178.2	-179.7	-174.7	0	109.7	G25 G26 I31 K32 D33	G25-K29 WeakPolarHBondContact O-CB 3.36Å; G25-K29 PolarHBondContact O-N 2.9Å; G26-K29 PolarHBondContact O-N 3.46Å; G26-K29 VanDerWaalsContact O-N 3.15Å; K29-I31 PolarHBondContact O-N 3.22Å; K29-K32 PolarHBondContact O-N 2.74Å; K29-D33 VanDerWaalsContact CE-OD2 3.27Å; K29-D33 WeakPolarHBondContact CE-OD2 3.25Å; K29-D33 VanDerWaalsContact CG-OD2 3.25Å; K29-D33 WeakPolarHBondContact CG-OD2 3.27Å; K29-D33 WeakPolarHBondContact O-CB 3.08Å; K29-D33 PolarHBondContact O-N 3.19Å
30	F	74.2	Confident	60.8	Low	31 Å²	31	63.4 Å²	63.4	14%	0.136	39%	0.388	C	S	.	.	H	α-helix	trans	-54.6	-50.9	174.9	167.3	-91.8	0	0	0	112.5	G26 M27 Q28 K32 D33 W34 L96 Q100 L101 P102	G26-F30 PolarHBondContact O-N 3.44Å; M27-F30 WeakPolarHBondContact O-CB 3.33Å; M27-F30 PolarHBondContact O-N 2.87Å; M27-F30 HydrophobicContact SD-CD1 4.33Å; Q28-F30 VanDerWaalsContact C-N 3.34Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 3.34Å; F30-D33 PolarHBondContact O-N 3.08Å; F30-W34 HydrophobicContact CE1-CB 4.41Å; F30-W34 HydrophobicContact CE2-CB 4.45Å; F30-W34 HydrophobicContact CZ-CB 4.18Å; F30-W34 HydrophobicContact CZ-CG 4.24Å; F30-W34 WeakPolarHBondContact O-CB 3.37Å; F30-W34 PolarHBondContact O-N 3.26Å; F30-L96 HydrophobicContact CZ-CD2 4.38Å; F30-Q100 WeakPolarHBondContact CE2-O 3.47Å; F30-Q100 WeakPolarHBondContact CZ-O 3.07Å; F30-L101 HydrophobicContact CD1-CD2 4.48Å; F30-L101 HydrophobicContact CE1-CD2 3.62Å; F30-L101 HydrophobicContact CZ-CD2 4.19Å; F30-P102 HydrophobicContact CB-CG 3.65Å; F30-P102 VanDerWaalsContact CD1-CD 3.45Å; F30-P102 HydrophobicContact CD1-CG 3.74Å; F30-P102 HydrophobicContact CD2-CG 3.76Å; F30-P102 HydrophobicContact CE1-CG 4.43Å; F30-P102 HydrophobicContact CE2-CG 4.41Å; F30-P102 HydrophobicContact CG-CG 3.38Å
31	I	71.8	Confident	62.4	Low	1 Å²	1	64.5 Å²	64.5	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-60.2	-48.4	179.8	-67.9	165.4	0	0	0	109.8	M27 Q28 K29 D33 W34 M35 Y42 S83 V86 C87	M27-I31 HydrophobicContact CG-CD1 3.92Å; M27-I31 HydrophobicContact CG-CG1 4.43Å; M27-I31 VanDerWaalsContact O-CG1 3.31Å; M27-I31 WeakPolarHBondContact O-CG1 3.48Å; M27-I31 PolarHBondContact O-N 3.26Å; Q28-I31 PolarHBondContact O-N 3Å; K29-I31 PolarHBondContact O-N 3.22Å; I31-D33 PolarHBondContact O-N 3.12Å; I31-W34 PolarHBondContact O-N 3.45Å; I31-M35 HydrophobicContact CG2-CE 4.16Å; I31-M35 HydrophobicContact CG2-CG 3.99Å; I31-M35 VanDerWaalsContact O-CB 3.32Å; I31-M35 WeakPolarHBondContact O-CB 3.25Å; I31-M35 WeakPolarHBondContact O-CG 3.36Å; I31-M35 PolarHBondContact O-N 3.38Å; I31-Y42 HydrophobicContact CG2-CD1 4.27Å; I31-Y42 HydrophobicContact CG2-CD2 4.39Å; I31-Y42 HydrophobicContact CG2-CE1 3.84Å; I31-Y42 HydrophobicContact CG2-CE2 3.98Å; I31-S83 WeakPolarHBondContact CD1-O 3.49Å; I31-V86 HydrophobicContact CD1-CB 4.26Å; I31-V86 HydrophobicContact CD1-CG1 4.22Å; I31-V86 HydrophobicContact CG2-CG1 3.67Å; I31-C87 WeakPolarHBondContact CD1-SG 3.38Å; I31-C87 WeakPolarHBondContact CG1-SG 3.31Å
32	K	78.4	Confident	64.2	Low	109 Å²	109	59.2 Å²	59.2	47%	0.474	35%	0.351	S	S	.	.	H	α-helix	trans	-59.4	-49.5	-179.3	-173.4	-176.1	178.2	-172.3	0	111	Q28 K29 F30 M35 L36 Y42	Q28-K32 VanDerWaalsContact O-CB 3.29Å; Q28-K32 WeakPolarHBondContact O-CB 3.49Å; Q28-K32 PolarHBondContact O-N 3.03Å; K29-K32 PolarHBondContact O-N 2.74Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 3.34Å; K32-M35 PolarHBondContact O-N 2.94Å; K32-L36 HydrophobicContact CG-CD1 3.93Å; K32-L36 HydrophobicContact CG-CG 4.48Å; K32-L36 WeakPolarHBondContact O-CB 3.43Å; K32-L36 WeakPolarHBondContact O-CG 3.5Å; K32-L36 PolarHBondContact O-N 3.34Å; K32-Y42 HydrophobicContact CB-CD1 4.09Å; K32-Y42 HydrophobicContact CB-CE1 4.32Å; K32-Y42 HydrophobicContact CG-CD1 4.29Å
33	D	75.6	Confident	66	Low	70 Å²	70	57 Å²	57	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-43.7	-178.8	-64.4	-8	0	0	0	110.4	K29 F30 I31 L36 C37	K29-D33 VanDerWaalsContact CE-OD2 3.27Å; K29-D33 WeakPolarHBondContact CE-OD2 3.25Å; K29-D33 VanDerWaalsContact CG-OD2 3.25Å; K29-D33 WeakPolarHBondContact CG-OD2 3.27Å; K29-D33 WeakPolarHBondContact O-CB 3.08Å; K29-D33 PolarHBondContact O-N 3.19Å; F30-D33 PolarHBondContact O-N 3.08Å; I31-D33 PolarHBondContact O-N 3.12Å; D33-L36 PolarHBondContact O-N 2.72Å; D33-C37 WeakPolarHBondContact O-CB 2.97Å; D33-C37 PolarHBondContact O-N 3.29Å; D33-C37 PolarHBondContact O-SG 3.43Å
34	W	69.8	Low	68	Low	31 Å²	31	56.5 Å²	56.5	12%	0.117	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-46.6	177	-174.4	91.9	0	0	0	111.8	F30 I31 C37 N38 I40 L90 A95 L96	F30-W34 HydrophobicContact CE1-CB 4.41Å; F30-W34 HydrophobicContact CE2-CB 4.45Å; F30-W34 HydrophobicContact CZ-CB 4.18Å; F30-W34 HydrophobicContact CZ-CG 4.24Å; F30-W34 WeakPolarHBondContact O-CB 3.37Å; F30-W34 PolarHBondContact O-N 3.26Å; I31-W34 PolarHBondContact O-N 3.45Å; W34-C37 PolarHBondContact O-N 3.02Å; W34-N38 PolarHBondContact NE1-ND2 2.56Å; W34-N38 PolarHBondContact O-N 3.15Å; W34-N38 VanDerWaalsContact O-N 3.08Å; W34-N38 PolarHBondContact O-ND2 3.29Å; W34-I40 HydrophobicContact CH2-CD1 4.21Å; W34-I40 HydrophobicContact CZ3-CD1 3.81Å; W34-L90 HydrophobicContact CE3-CD1 4.35Å; W34-L90 HydrophobicContact CZ3-CD1 4.11Å; W34-L90 HydrophobicContact CZ3-CD2 4.36Å; W34-A95 HydrophobicContact CH2-CB 4.27Å; W34-A95 VanDerWaalsContact CH2-O 3.29Å; W34-A95 WeakPolarHBondContact CH2-O 3.32Å; W34-A95 WeakPolarHBondContact CZ2-O 3.26Å; W34-L96 HydrophobicContact CD2-CD2 3.52Å; W34-L96 HydrophobicContact CD2-CG 4.21Å; W34-L96 HydrophobicContact CE3-CD2 4.1Å; W34-L96 HydrophobicContact CE3-CG 4.29Å; W34-L96 HydrophobicContact CG-CD2 3.96Å; W34-L96 HydrophobicContact CH2-CD2 4.04Å; W34-L96 HydrophobicContact CH2-CG 3.96Å; W34-L96 HydrophobicContact CZ2-CD2 3.44Å; W34-L96 VanDerWaalsContact CZ2-CD2 3.44Å; W34-L96 HydrophobicContact CZ2-CG 3.85Å; W34-L96 HydrophobicContact CZ3-CD2 4.33Å; W34-L96 HydrophobicContact CZ3-CG 4.17Å; W34-L96 VanDerWaalsContact NE1-CD2 3.31Å
35	M	68.1	Low	69.5	Low	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-47.2	178.1	-67.3	-74	-144.9	0	0	111	I31 K32 C37 N38 G39 I40 Y42 I59 V86 L90	I31-M35 HydrophobicContact CG2-CE 4.16Å; I31-M35 HydrophobicContact CG2-CG 3.99Å; I31-M35 VanDerWaalsContact O-CB 3.32Å; I31-M35 WeakPolarHBondContact O-CB 3.25Å; I31-M35 WeakPolarHBondContact O-CG 3.36Å; I31-M35 PolarHBondContact O-N 3.38Å; K32-M35 PolarHBondContact O-N 2.94Å; M35-C37 PolarHBondContact O-N 3.23Å; M35-N38 CarbonylContact O-C 3.57Å; M35-N38 PolarHBondContact O-N 3.43Å; M35-N38 VanDerWaalsContact O-N 3.12Å; M35-G39 PolarHBondContact O-N 3.4Å; M35-I40 CarbonylContact C-O 3.44Å; M35-I40 HydrophobicContact CB-CB 4.24Å; M35-I40 HydrophobicContact CE-CG2 4.45Å; M35-I40 PolarHBondContact O-N 3.47Å; M35-I40 HydrophobicContact SD-CB 3.89Å; M35-I40 HydrophobicContact SD-CD1 4.04Å; M35-I40 HydrophobicContact SD-CG2 3.53Å; M35-I40 VanDerWaalsContact SD-CG2 3.53Å; M35-Y42 HydrophobicContact CB-CG 4.45Å; M35-Y42 HydrophobicContact CE-CD2 3.95Å; M35-Y42 HydrophobicContact CE-CE2 4.48Å; M35-Y42 HydrophobicContact CE-CG 4.49Å; M35-Y42 HydrophobicContact CG-CD2 4.46Å; M35-Y42 HydrophobicContact CG-CG 4.13Å; M35-I59 HydrophobicContact CE-CB 4.13Å; M35-I59 HydrophobicContact CE-CD1 3.81Å; M35-I59 HydrophobicContact CE-CG1 3.65Å; M35-I59 HydrophobicContact CE-CG2 3.46Å; M35-I59 VanDerWaalsContact CE-CG2 3.46Å; M35-I59 HydrophobicContact SD-CG2 4.12Å; M35-V86 HydrophobicContact CE-CG1 3.81Å; M35-L90 HydrophobicContact CE-CD1 3.54Å; M35-L90 HydrophobicContact CE-CD2 3.98Å; M35-L90 HydrophobicContact CE-CG 4.14Å; M35-L90 HydrophobicContact SD-CD1 4.02Å; M35-L90 HydrophobicContact SD-CD2 4.28Å
36	L	69.7	Low	70.7	Confident	106 Å²	106	58.6 Å²	58.6	56%	0.555	31%	0.31	S	S	*	.	H	α-helix	trans	-60.6	-43.7	177.4	-72.7	171.6	0	0	0	112	K32 D33 N38 G39	K32-L36 HydrophobicContact CG-CD1 3.93Å; K32-L36 HydrophobicContact CG-CG 4.48Å; K32-L36 WeakPolarHBondContact O-CB 3.43Å; K32-L36 WeakPolarHBondContact O-CG 3.5Å; K32-L36 PolarHBondContact O-N 3.34Å; D33-L36 PolarHBondContact O-N 2.72Å; L36-N38 PolarHBondContact O-N 2.77Å; L36-G39 PolarHBondContact O-N 2.99Å
37	C	68.8	Low	70.7	Confident	112 Å²	112	59.2 Å²	59.2	76%	0.757	31%	0.307	S	S	*	.	H	α-helix	trans	-64.6	-25.3	177.2	-68.5	0	0	0	0	113.1	D33 W34 M35	D33-C37 WeakPolarHBondContact O-CB 2.97Å; D33-C37 PolarHBondContact O-N 3.29Å; D33-C37 PolarHBondContact O-SG 3.43Å; W34-C37 PolarHBondContact O-N 3.02Å; M35-C37 PolarHBondContact O-N 3.23Å
38	N	59	Low	70.5	Confident	40 Å²	40	65.7 Å²	65.7	21%	0.214	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.4	178.5	-71.5	-84.7	0	0	0	112.7	W34 M35 L36 I40 A152	W34-N38 PolarHBondContact NE1-ND2 2.56Å; W34-N38 PolarHBondContact O-N 3.15Å; W34-N38 VanDerWaalsContact O-N 3.08Å; W34-N38 PolarHBondContact O-ND2 3.29Å; M35-N38 CarbonylContact O-C 3.57Å; M35-N38 PolarHBondContact O-N 3.43Å; M35-N38 VanDerWaalsContact O-N 3.12Å; L36-N38 PolarHBondContact O-N 2.77Å; N38-I40 HydrophobicContact CB-CD1 4.22Å; N38-I40 HydrophobicContact CB-CG1 4.41Å; N38-I40 PolarHBondContact O-N 3.48Å; N38-I40 VanDerWaalsContact O-N 3.15Å; N38-A152 CarbonylContact C-O 3.51Å; N38-A152 WeakPolarHBondContact O-CB 3.44Å
39	G	59.3	Low	69.7	Low	22 Å²	22	67 Å²	67	23%	0.227	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	13	178.4	0	0	0	0	0	114.8	M35 L36 N154	M35-G39 PolarHBondContact O-N 3.4Å; L36-G39 PolarHBondContact O-N 2.99Å; G39-N154 PolarHBondContact O-OD1 2.91Å
40	I	60.9	Low	68	Low	12 Å²	12	67.9 Å²	67.9	6%	0.062	36%	0.359	C	S	.	.			trans	-90.4	125.3	179.9	-61.4	167.8	0	0	0	108.6	W34 M35 N38 Y42 I59 V61 A152	W34-I40 HydrophobicContact CH2-CD1 4.21Å; W34-I40 HydrophobicContact CZ3-CD1 3.81Å; M35-I40 CarbonylContact C-O 3.44Å; M35-I40 HydrophobicContact CB-CB 4.24Å; M35-I40 HydrophobicContact CE-CG2 4.45Å; M35-I40 PolarHBondContact O-N 3.47Å; M35-I40 HydrophobicContact SD-CB 3.89Å; M35-I40 HydrophobicContact SD-CD1 4.04Å; M35-I40 HydrophobicContact SD-CG2 3.53Å; M35-I40 VanDerWaalsContact SD-CG2 3.53Å; N38-I40 HydrophobicContact CB-CD1 4.22Å; N38-I40 HydrophobicContact CB-CG1 4.41Å; N38-I40 PolarHBondContact O-N 3.48Å; N38-I40 VanDerWaalsContact O-N 3.15Å; I40-Y42 PolarHBondContact O-N 3.46Å; I40-I59 HydrophobicContact CG2-CG2 3.54Å; I40-V61 HydrophobicContact CG2-CG2 4.18Å; I40-A152 HydrophobicContact CG1-CB 4.37Å
41	M	65.5	Low	67.1	Low	103 Å²	103	74.1 Å²	74.1	51%	0.507	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.6	176.2	-171.3	-172.1	-56.4	0	0	109.5	Q43 S60	M41-Q43 HydrophobicContact CG-CG 4.35Å; M41-S60 PolarHBondContact N-O 2.83Å; M41-S60 PolarHBondContact O-N 3.4Å
42	Y	72.5	Confident	66.3	Low	22 Å²	22	76 Å²	76	9%	0.086	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	112.8	179.7	179.4	-114.9	0	0	0	110.2	I31 K32 M35 I40 C44 C57 R58 I59 V86	I31-Y42 HydrophobicContact CG2-CD1 4.27Å; I31-Y42 HydrophobicContact CG2-CD2 4.39Å; I31-Y42 HydrophobicContact CG2-CE1 3.84Å; I31-Y42 HydrophobicContact CG2-CE2 3.98Å; K32-Y42 HydrophobicContact CB-CD1 4.09Å; K32-Y42 HydrophobicContact CB-CE1 4.32Å; K32-Y42 HydrophobicContact CG-CD1 4.29Å; M35-Y42 HydrophobicContact CB-CG 4.45Å; M35-Y42 HydrophobicContact CE-CD2 3.95Å; M35-Y42 HydrophobicContact CE-CE2 4.48Å; M35-Y42 HydrophobicContact CE-CG 4.49Å; M35-Y42 HydrophobicContact CG-CD2 4.46Å; M35-Y42 HydrophobicContact CG-CG 4.13Å; I40-Y42 PolarHBondContact O-N 3.46Å; Y42-C44 WeakPolarHBondContact CE1-SG 3.19Å; Y42-C44 PolarHBondContact OH-SG 3.4Å; Y42-C57 HydrophobicContact CE2-CB 3.83Å; Y42-C57 PolarHBondContact OH-SG 3.34Å; Y42-R58 WeakPolarHBondContact CA-O 2.98Å; Y42-I59 HydrophobicContact CD2-CG1 4.17Å; Y42-I59 HydrophobicContact CE2-CG1 4.43Å; Y42-V86 HydrophobicContact CE2-CG1 4.15Å; Y42-V86 HydrophobicContact CE2-CG2 4.08Å
43	Q	75.2	Confident	65.2	Low	95 Å²	95	75.3 Å²	75.3	44%	0.444	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.7	178.5	-64.4	-178.1	-8	0	0	109.9	M41 C57 R58	M41-Q43 HydrophobicContact CG-CG 4.35Å; Q43-C57 CarbonylContact O-C 3.59Å; Q43-C57 WeakPolarHBondContact O-CA 3.49Å; Q43-R58 HydrophobicContact CB-CB 4.4Å; Q43-R58 PolarHBondContact N-O 2.78Å; Q43-R58 PolarHBondContact O-N 3.3Å
44	C	79.5	Confident	64.6	Low	48 Å²	48	72.6 Å²	72.6	32%	0.324	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.4	172.1	-62	0	0	0	0	109.2	Y42 F55 K56 C57	Y42-C44 WeakPolarHBondContact CE1-SG 3.19Å; Y42-C44 PolarHBondContact OH-SG 3.4Å; C44-F55 HydrophobicContact CB-CE1 3.78Å; C44-F55 HydrophobicContact CB-CZ 3.61Å; C44-K56 CarbonylContact C-O 3.43Å; C44-K56 WeakPolarHBondContact CA-O 3.2Å; C44-C57 VanDerWaalsContact SG-SG 3.64Å
45	S	76	Confident	64.4	Low	67 Å²	67	71.3 Å²	71.3	47%	0.469	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.4	173.8	63.6	0	0	0	0	111	K56	S45-K56 PolarHBondContact N-O 3.5Å; S45-K56 PolarHBondContact O-N 3.15Å
46	R	79.4	Confident	64.4	Low	145 Å²	145	74.3 Å²	74.3	55%	0.547	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.3	175.5	-71.2	-175.6	-171	169.1	6.1	107.3	F55 W75	R46-F55 HydrophobicContact CG-CD2 3.88Å; R46-F55 HydrophobicContact CG-CE2 3.98Å; R46-W75 HydrophobicContact CB-CE3 4.45Å; R46-W75 HydrophobicContact CB-CH2 3.41Å; R46-W75 VanDerWaalsContact CB-CH2 3.41Å; R46-W75 HydrophobicContact CB-CZ2 3.73Å; R46-W75 HydrophobicContact CB-CZ3 3.77Å; R46-W75 HydrophobicContact CG-CD2 4.36Å; R46-W75 HydrophobicContact CG-CE3 3.98Å; R46-W75 HydrophobicContact CG-CH2 3.86Å; R46-W75 HydrophobicContact CG-CZ2 4.2Å; R46-W75 HydrophobicContact CG-CZ3 3.7Å
47	C	65.6	Low	64.2	Low	54 Å²	54	69.4 Å²	69.4	37%	0.365	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.4	171.4	179.7	0	0	0	0	110.2	V54 W75	C47-V54 HydrophobicContact CB-CB 4.14Å; C47-V54 PolarHBondContact N-O 3.15Å; C47-V54 PolarHBondContact O-N 3.08Å; C47-W75 VanDerWaalsContact O-CH2 3.24Å; C47-W75 WeakPolarHBondContact O-CH2 3.33Å
48	Y	62.7	Low	64.1	Low	159 Å²	159	68.2 Å²	68.2	62%	0.624	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.3	175.5	-70.8	-90.3	0	0	0	109.3	W75	Y48-W75 HydrophobicContact CD1-CZ2 4.04Å; Y48-W75 HydrophobicContact CD2-CZ2 4.2Å; Y48-W75 AromaticContact CE1-CE2 3.95Å; Y48-W75 AromaticContact CE1-CZ2 3.77Å; Y48-W75 HydrophobicContact CE1-CZ2 3.77Å; Y48-W75 AromaticContact CE1-NE1 3.55Å; Y48-W75 AromaticContact CE2-CZ2 3.96Å; Y48-W75 HydrophobicContact CE2-CZ2 3.96Å; Y48-W75 HydrophobicContact CG-CZ2 4.24Å; Y48-W75 AromaticContact CZ-CE2 3.93Å; Y48-W75 AromaticContact CZ-CZ2 3.73Å; Y48-W75 AromaticContact CZ-NE1 3.49Å; Y48-W75 PolarHBondContact OH-NE1 3.47Å; Y48-W75 VanDerWaalsContact OH-NE1 3.16Å
49	V	52.9	Low	64.2	Low	69 Å²	69	66.4 Å²	66.4	42%	0.418	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.9	169.8	-179.2	0	0	0	0	106.1	L51 S52 V54	V49-L51 PolarHBondContact O-N 3.08Å; V49-S52 CarbonylContact C-O 3.6Å; V49-S52 PolarHBondContact N-O 3.3Å; V49-S52 CarbonylContact O-C 3.47Å; V49-S52 PolarHBondContact O-N 3.12Å; V49-V54 HydrophobicContact CB-CG2 4.42Å; V49-V54 HydrophobicContact CG2-CG2 3.51Å
50	P	42.4	Very low	64.1	Low	130 Å²	130	66 Å²	66	84%	0.844	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-26.5	-164.2	-33.5	36.7	0	0	0	117.3
51	L	56.2	Low	63.6	Low	161 Å²	161	66.6 Å²	66.6	84%	0.843	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	13.6	177.9	-63.4	172.1	0	0	0	113.2	V49	V49-L51 PolarHBondContact O-N 3.08Å
52	S	54.8	Low	62.8	Low	40 Å²	40	65.9 Å²	65.9	28%	0.28	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	149.5	-168.9	-79.1	0	0	0	0	112.5	V49	V49-S52 CarbonylContact C-O 3.6Å; V49-S52 PolarHBondContact N-O 3.3Å; V49-S52 CarbonylContact O-C 3.47Å; V49-S52 PolarHBondContact O-N 3.12Å
53	R	55.6	Low	61.4	Low	96 Å²	96	70.6 Å²	70.6	36%	0.362	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.4	178.4	-47.4	-153.8	-166.3	-144.1	-1.2	108.6	I71 S72 A73 W75 A78	R53-I71 WeakPolarHBondContact O-CA 3.3Å; R53-S72 WeakPolarHBondContact CA-O 3.34Å; R53-S72 VanDerWaalsContact CB-O 3.24Å; R53-S72 WeakPolarHBondContact CB-O 3.47Å; R53-S72 PolarHBondContact N-O 3.48Å; R53-S72 PolarHBondContact O-N 3.09Å; R53-A73 WeakPolarHBondContact CG-O 3.45Å; R53-A73 PolarHBondContact NE-O 2.97Å; R53-W75 HydrophobicContact CB-CD2 3.62Å; R53-W75 HydrophobicContact CB-CE3 3.66Å; R53-W75 HydrophobicContact CB-CG 4.26Å; R53-W75 HydrophobicContact CB-CH2 3.76Å; R53-W75 HydrophobicContact CB-CZ2 3.78Å; R53-W75 HydrophobicContact CB-CZ3 3.74Å; R53-W75 VanDerWaalsContact CD-CD2 3.48Å; R53-W75 VanDerWaalsContact CD-NE1 3.31Å; R53-W75 HydrophobicContact CG-CD2 4.18Å; R53-W75 HydrophobicContact CG-CG 4.43Å; R53-W75 HydrophobicContact CG-CZ2 4.31Å; R53-A78 WeakPolarHBondContact O-CB 3.47Å
54	V	63.2	Low	59.8	Low	12 Å²	12	68.4 Å²	68.4	7%	0.073	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.8	-178.2	-175.6	0	0	0	0	109.2	C47 V49 K56 A70 I71 W75	C47-V54 HydrophobicContact CB-CB 4.14Å; C47-V54 PolarHBondContact N-O 3.15Å; C47-V54 PolarHBondContact O-N 3.08Å; V49-V54 HydrophobicContact CB-CG2 4.42Å; V49-V54 HydrophobicContact CG2-CG2 3.51Å; V54-K56 HydrophobicContact CG1-CG 3.92Å; V54-A70 CarbonylContact C-O 3.59Å; V54-A70 WeakPolarHBondContact CA-O 3.41Å; V54-I71 HydrophobicContact CG1-CG1 4.33Å; V54-I71 HydrophobicContact CG2-CD1 4.25Å; V54-I71 HydrophobicContact CG2-CG1 3.99Å; V54-I71 HydrophobicContact CG2-CG2 4.21Å; V54-W75 VanDerWaalsContact C-CZ3 3.44Å; V54-W75 VanDerWaalsContact O-CH2 3.3Å; V54-W75 WeakPolarHBondContact O-CH2 3.35Å; V54-W75 WeakPolarHBondContact O-CZ3 3.42Å
55	F	65.3	Low	58.4	Low	4 Å²	4	66.4 Å²	66.4	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112	174.8	-162	-90.3	0	0	0	108.9	C44 R46 C57 S69 A70 W75 A78 K79 A82	C44-F55 HydrophobicContact CB-CE1 3.78Å; C44-F55 HydrophobicContact CB-CZ 3.61Å; R46-F55 HydrophobicContact CG-CD2 3.88Å; R46-F55 HydrophobicContact CG-CE2 3.98Å; F55-C57 VanDerWaalsContact CE1-SG 3.55Å; F55-S69 CarbonylContact O-C 3.54Å; F55-S69 WeakPolarHBondContact O-CA 3.17Å; F55-A70 PolarHBondContact N-O 3.47Å; F55-A70 PolarHBondContact O-N 3.18Å; F55-W75 HydrophobicContact CB-CE3 4.46Å; F55-W75 HydrophobicContact CB-CZ3 4.16Å; F55-W75 HydrophobicContact CD2-CE3 4.14Å; F55-W75 HydrophobicContact CD2-CZ3 4.19Å; F55-A78 HydrophobicContact CB-CB 3.91Å; F55-K79 HydrophobicContact CD1-CB 4.26Å; F55-K79 HydrophobicContact CD1-CG 4.38Å; F55-K79 HydrophobicContact CD2-CB 3.82Å; F55-K79 HydrophobicContact CD2-CG 4.22Å; F55-K79 HydrophobicContact CE1-CB 4.36Å; F55-K79 HydrophobicContact CE1-CG 4Å; F55-K79 HydrophobicContact CE2-CB 3.98Å; F55-K79 HydrophobicContact CE2-CD 4.21Å; F55-K79 HydrophobicContact CE2-CG 3.86Å; F55-K79 HydrophobicContact CG-CB 3.98Å; F55-K79 HydrophobicContact CG-CG 4.47Å; F55-K79 HydrophobicContact CZ-CB 4.24Å; F55-K79 HydrophobicContact CZ-CD 4.3Å; F55-K79 HydrophobicContact CZ-CG 3.73Å; F55-A82 HydrophobicContact CB-CB 4.39Å; F55-A82 HydrophobicContact CD1-CB 3.68Å; F55-A82 HydrophobicContact CG-CB 4.49Å
56	K	68	Low	57.3	Low	64 Å²	64	64.2 Å²	64.2	28%	0.278	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.6	178.6	-62.2	-174.4	173.8	-166.7	0	109.1	C44 S45 V54 V68 T167	C44-K56 CarbonylContact C-O 3.43Å; C44-K56 WeakPolarHBondContact CA-O 3.2Å; S45-K56 PolarHBondContact N-O 3.5Å; S45-K56 PolarHBondContact O-N 3.15Å; V54-K56 HydrophobicContact CG1-CG 3.92Å; K56-V68 CarbonylContact C-O 3.58Å; K56-T167 HydrophobicContact CD-CG2 3.87Å; K56-T167 HydrophobicContact CG-CG2 4.39Å; K56-T167 VanDerWaalsContact NZ-CB 3.3Å; K56-T167 PolarHBondContact NZ-OG1 2.91Å
57	C	66.4	Low	56.3	Low	2 Å²	2	58.2 Å²	58.2	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.3	171.4	-60	0	0	0	0	107.7	Y42 Q43 C44 F55 A67 V68 V86	Y42-C57 HydrophobicContact CE2-CB 3.83Å; Y42-C57 PolarHBondContact OH-SG 3.34Å; Q43-C57 CarbonylContact O-C 3.59Å; Q43-C57 WeakPolarHBondContact O-CA 3.49Å; C44-C57 VanDerWaalsContact SG-SG 3.64Å; F55-C57 VanDerWaalsContact CE1-SG 3.55Å; C57-A67 CarbonylContact O-C 3.38Å; C57-A67 WeakPolarHBondContact O-CA 3.02Å; C57-V68 HydrophobicContact CB-CB 4.37Å; C57-V68 PolarHBondContact N-O 3.17Å; C57-V68 PolarHBondContact O-N 3.37Å; C57-V86 HydrophobicContact CB-CG2 3.67Å
58	R	65.4	Low	56.2	Low	88 Å²	88	56.1 Å²	56.1	33%	0.332	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.3	173.6	-179.6	178	175.5	175.6	-1.2	107.7	Y42 Q43 D65 I66	Y42-R58 WeakPolarHBondContact CA-O 2.98Å; Q43-R58 HydrophobicContact CB-CB 4.4Å; Q43-R58 PolarHBondContact N-O 2.78Å; Q43-R58 PolarHBondContact O-N 3.3Å; R58-D65 HydrophobicContact CG-CB 4.13Å; R58-D65 VanDerWaalsContact CZ-CG 3.48Å; R58-D65 IonicContact CZ-OD1 3.94Å; R58-D65 IonicContact CZ-OD2 2.73Å; R58-D65 VanDerWaalsContact CZ-OD2 3.23Å; R58-D65 IonicContact NE-OD1 2.75Å; R58-D65 PolarHBondContact NE-OD1 3.24Å; R58-D65 IonicContact NE-OD2 3.28Å; R58-D65 PolarHBondContact NE-OD2 2.89Å; R58-D65 IonicContact NH2-OD1 2.6Å; R58-D65 PolarHBondContact NH2-OD1 2.84Å; R58-D65 IonicContact NH2-OD2 3.62Å; R58-D65 PolarHBondContact NH2-OD2 3.39Å; R58-I66 WeakPolarHBondContact CA-O 3.21Å
59	I	61.6	Low	56	Low	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.6	172.6	-46.3	167.3	0	0	0	105.4	M35 I40 Y42 V61 D65 I66 V86	M35-I59 HydrophobicContact CE-CB 4.13Å; M35-I59 HydrophobicContact CE-CD1 3.81Å; M35-I59 HydrophobicContact CE-CG1 3.65Å; M35-I59 HydrophobicContact CE-CG2 3.46Å; M35-I59 VanDerWaalsContact CE-CG2 3.46Å; M35-I59 HydrophobicContact SD-CG2 4.12Å; I40-I59 HydrophobicContact CG2-CG2 3.54Å; Y42-I59 HydrophobicContact CD2-CG1 4.17Å; Y42-I59 HydrophobicContact CE2-CG1 4.43Å; I59-V61 HydrophobicContact CG2-CG2 4.03Å; I59-D65 WeakPolarHBondContact O-CA 3.34Å; I59-I66 HydrophobicContact CB-CB 4.21Å; I59-I66 HydrophobicContact CD1-CB 4.41Å; I59-I66 HydrophobicContact CD1-CG2 4.45Å; I59-I66 PolarHBondContact N-O 3.48Å; I59-I66 PolarHBondContact O-N 3.41Å; I59-V86 HydrophobicContact CD1-CB 4.39Å; I59-V86 HydrophobicContact CD1-CG1 3.74Å; I59-V86 HydrophobicContact CD1-CG2 4.23Å; I59-V86 HydrophobicContact CG1-CG1 4.29Å
60	S	57.8	Low	56.3	Low	15 Å²	15	46.2 Å²	46.2	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.6	176.4	-45.3	0	0	0	0	109.1	M41 F64 D65	M41-S60 PolarHBondContact N-O 2.83Å; M41-S60 PolarHBondContact O-N 3.4Å; S60-F64 CarbonylContact C-O 3.58Å; S60-F64 WeakPolarHBondContact CA-O 3.19Å; S60-D65 WeakPolarHBondContact CB-OD1 3.32Å; S60-D65 PolarHBondContact OG-OD1 2.93Å
61	V	49.4	Very low	57.2	Low	24 Å²	24	44.1 Å²	44.1	15%	0.145	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	111.1	176.8	-175.8	0	0	0	0	106.7	I40 I59 R63 F64 L223	I40-V61 HydrophobicContact CG2-CG2 4.18Å; I59-V61 HydrophobicContact CG2-CG2 4.03Å; V61-R63 PolarHBondContact O-N 3.37Å; V61-R63 VanDerWaalsContact O-N 3.12Å; V61-F64 PolarHBondContact N-O 3.4Å; V61-F64 PolarHBondContact O-N 2.94Å; V61-L223 HydrophobicContact CG1-CD2 4.44Å
62	A	49.1	Very low	57.7	Low	87 Å²	87	37.6 Å²	37.6	72%	0.719	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	-114.7	-171.9	0	0	0	0	0	112
63	R	43.4	Very low	58.4	Low	121 Å²	121	39.4 Å²	39.4	46%	0.457	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.5	179.8	-64.4	-176	175.5	-176	-4.6	114	V61 S158 S162 Y203	V61-R63 PolarHBondContact O-N 3.37Å; V61-R63 VanDerWaalsContact O-N 3.12Å; R63-S158 PolarHBondContact NH2-OG 3.18Å; R63-S162 PolarHBondContact O-N 3.49Å; R63-Y203 PolarHBondContact NH1-OH 2.82Å
64	F	41.2	Very low	59.4	Low	50 Å²	50	38 Å²	38	22%	0.219	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.6	-175.8	-64.4	-79.3	0	0	0	111.7	S60 V61 I164 F217	S60-F64 CarbonylContact C-O 3.58Å; S60-F64 WeakPolarHBondContact CA-O 3.19Å; V61-F64 PolarHBondContact N-O 3.4Å; V61-F64 PolarHBondContact O-N 2.94Å; F64-I164 HydrophobicContact CD1-CD1 4.16Å; F64-F217 HydrophobicContact CE2-CZ 4.42Å
65	D	49.6	Very low	60	Low	5 Å²	5	38.5 Å²	38.5	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.4	168.2	-63.9	-61.9	0	0	0	111	R58 I59 S60 I164	R58-D65 HydrophobicContact CG-CB 4.13Å; R58-D65 VanDerWaalsContact CZ-CG 3.48Å; R58-D65 IonicContact CZ-OD1 3.94Å; R58-D65 IonicContact CZ-OD2 2.73Å; R58-D65 VanDerWaalsContact CZ-OD2 3.23Å; R58-D65 IonicContact NE-OD1 2.75Å; R58-D65 PolarHBondContact NE-OD1 3.24Å; R58-D65 IonicContact NE-OD2 3.28Å; R58-D65 PolarHBondContact NE-OD2 2.89Å; R58-D65 IonicContact NH2-OD1 2.6Å; R58-D65 PolarHBondContact NH2-OD1 2.84Å; R58-D65 IonicContact NH2-OD2 3.62Å; R58-D65 PolarHBondContact NH2-OD2 3.39Å; I59-D65 WeakPolarHBondContact O-CA 3.34Å; S60-D65 WeakPolarHBondContact CB-OD1 3.32Å; S60-D65 PolarHBondContact OG-OD1 2.93Å; D65-I164 WeakPolarHBondContact O-CB 3.29Å
66	I	53.6	Low	60.7	Low	21 Å²	21	46.3 Å²	46.3	11%	0.108	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	105.1	168.3	-53.4	172.6	0	0	0	107.1	R58 I59 V68 L93 I227	R58-I66 WeakPolarHBondContact CA-O 3.21Å; I59-I66 HydrophobicContact CB-CB 4.21Å; I59-I66 HydrophobicContact CD1-CB 4.41Å; I59-I66 HydrophobicContact CD1-CG2 4.45Å; I59-I66 PolarHBondContact N-O 3.48Å; I59-I66 PolarHBondContact O-N 3.41Å; I66-V68 HydrophobicContact CG2-CG2 4.13Å; I66-L93 HydrophobicContact CD1-CD1 3.82Å; I66-I227 HydrophobicContact CD1-CD1 3.92Å
67	A	58.6	Low	60.8	Low	20 Å²	20	47.2 Å²	47.2	17%	0.165	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.6	171.2	0	0	0	0	0	110.5	C57 T167	C57-A67 CarbonylContact O-C 3.38Å; C57-A67 WeakPolarHBondContact O-CA 3.02Å; A67-T167 HydrophobicContact CB-CG2 4.39Å
68	V	62.6	Low	60.5	Low	9 Å²	9	47.1 Å²	47.1	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.2	175	179.7	0	0	0	0	108	K56 C57 I66 R85 V86 R89	K56-V68 CarbonylContact C-O 3.58Å; C57-V68 HydrophobicContact CB-CB 4.37Å; C57-V68 PolarHBondContact N-O 3.17Å; C57-V68 PolarHBondContact O-N 3.37Å; I66-V68 HydrophobicContact CG2-CG2 4.13Å; V68-R85 HydrophobicContact CG1-CB 3.29Å; V68-R85 HydrophobicContact CG1-CG 4.29Å; V68-V86 HydrophobicContact CB-CG2 4.03Å; V68-V86 HydrophobicContact CG1-CG2 4.19Å; V68-V86 HydrophobicContact CG2-CG2 4.15Å; V68-R89 HydrophobicContact CG2-CG 4.27Å
69	S	59.3	Low	60.8	Low	19 Å²	19	45.9 Å²	45.9	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	162.5	176.7	66.9	0	0	0	0	111.6	F55 R85	F55-S69 CarbonylContact O-C 3.54Å; F55-S69 WeakPolarHBondContact O-CA 3.17Å; S69-R85 WeakPolarHBondContact O-CD 3.37Å; S69-R85 PolarHBondContact O-NH1 2.89Å
70	A	58.2	Low	60.9	Low	1 Å²	1	52.4 Å²	52.4	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145	162.7	0	0	0	0	0	109.8	V54 F55 A78 I81 A82	V54-A70 CarbonylContact C-O 3.59Å; V54-A70 WeakPolarHBondContact CA-O 3.41Å; F55-A70 PolarHBondContact N-O 3.47Å; F55-A70 PolarHBondContact O-N 3.18Å; A70-A78 WeakPolarHBondContact CB-O 3.29Å; A70-I81 HydrophobicContact CB-CB 3.72Å; A70-I81 HydrophobicContact CB-CG2 3.58Å; A70-A82 HydrophobicContact CB-CB 3.87Å
71	I	62.8	Low	61.2	Low	87 Å²	87	54.8 Å²	54.8	45%	0.446	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.3	-178.3	-48.4	-172.1	0	0	0	108.3	R53 V54	R53-I71 WeakPolarHBondContact O-CA 3.3Å; V54-I71 HydrophobicContact CG1-CG1 4.33Å; V54-I71 HydrophobicContact CG2-CD1 4.25Å; V54-I71 HydrophobicContact CG2-CG1 3.99Å; V54-I71 HydrophobicContact CG2-CG2 4.21Å
72	S	65.8	Low	61.8	Low	24 Å²	24	53.7 Å²	53.7	17%	0.168	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	157.2	172.7	-171.1	0	0	0	0	111.1	R53 D74 I77	R53-S72 WeakPolarHBondContact CA-O 3.34Å; R53-S72 VanDerWaalsContact CB-O 3.24Å; R53-S72 WeakPolarHBondContact CB-O 3.47Å; R53-S72 PolarHBondContact N-O 3.48Å; R53-S72 PolarHBondContact O-N 3.09Å; S72-D74 PolarHBondContact O-N 2.84Å; S72-I77 WeakPolarHBondContact OG-CB 3.09Å; S72-I77 VanDerWaalsContact OG-CG2 3.3Å; S72-I77 WeakPolarHBondContact OG-CG2 3.47Å
73	A	70.4	Confident	62.6	Low	77 Å²	77	49.7 Å²	49.7	64%	0.636	25%	0.246	S	C	*	.	S	Bend	trans	-63	-28.1	171.5	0	0	0	0	0	112.8	R53	R53-A73 WeakPolarHBondContact CG-O 3.45Å; R53-A73 PolarHBondContact NE-O 2.97Å
74	D	75.2	Confident	63.5	Low	66 Å²	66	45.7 Å²	45.7	35%	0.353	23%	0.231	S	C	.	.	S	Bend	trans	-108.4	127.7	178.5	-179.3	-2.1	0	0	0	111.3	S72 K76 I77 A78	S72-D74 PolarHBondContact O-N 2.84Å; D74-K76 PolarHBondContact O-N 3.33Å; D74-K76 WeakPolarHBondContact OD1-CB 3.45Å; D74-K76 PolarHBondContact OD1-N 3.32Å; D74-I77 HydrophobicContact CB-CB 4.18Å; D74-I77 HydrophobicContact CB-CD1 3.92Å; D74-I77 HydrophobicContact CB-CG1 3.92Å; D74-I77 PolarHBondContact O-N 3.49Å; D74-I77 VanDerWaalsContact O-N 3.08Å; D74-A78 PolarHBondContact O-N 2.96Å
75	W	77.3	Confident	64.5	Low	23 Å²	23	48.9 Å²	48.9	9%	0.087	24%	0.242	C	C	.	.	H	α-helix	trans	-54	-40.3	173.8	-88	137.8	0	0	0	112.7	R46 C47 Y48 R53 V54 F55 I77 K79	R46-W75 HydrophobicContact CB-CE3 4.45Å; R46-W75 HydrophobicContact CB-CH2 3.41Å; R46-W75 VanDerWaalsContact CB-CH2 3.41Å; R46-W75 HydrophobicContact CB-CZ2 3.73Å; R46-W75 HydrophobicContact CB-CZ3 3.77Å; R46-W75 HydrophobicContact CG-CD2 4.36Å; R46-W75 HydrophobicContact CG-CE3 3.98Å; R46-W75 HydrophobicContact CG-CH2 3.86Å; R46-W75 HydrophobicContact CG-CZ2 4.2Å; R46-W75 HydrophobicContact CG-CZ3 3.7Å; C47-W75 VanDerWaalsContact O-CH2 3.24Å; C47-W75 WeakPolarHBondContact O-CH2 3.33Å; Y48-W75 HydrophobicContact CD1-CZ2 4.04Å; Y48-W75 HydrophobicContact CD2-CZ2 4.2Å; Y48-W75 AromaticContact CE1-CE2 3.95Å; Y48-W75 AromaticContact CE1-CZ2 3.77Å; Y48-W75 HydrophobicContact CE1-CZ2 3.77Å; Y48-W75 AromaticContact CE1-NE1 3.55Å; Y48-W75 AromaticContact CE2-CZ2 3.96Å; Y48-W75 HydrophobicContact CE2-CZ2 3.96Å; Y48-W75 HydrophobicContact CG-CZ2 4.24Å; Y48-W75 AromaticContact CZ-CE2 3.93Å; Y48-W75 AromaticContact CZ-CZ2 3.73Å; Y48-W75 AromaticContact CZ-NE1 3.49Å; Y48-W75 PolarHBondContact OH-NE1 3.47Å; Y48-W75 VanDerWaalsContact OH-NE1 3.16Å; R53-W75 HydrophobicContact CB-CD2 3.62Å; R53-W75 HydrophobicContact CB-CE3 3.66Å; R53-W75 HydrophobicContact CB-CG 4.26Å; R53-W75 HydrophobicContact CB-CH2 3.76Å; R53-W75 HydrophobicContact CB-CZ2 3.78Å; R53-W75 HydrophobicContact CB-CZ3 3.74Å; R53-W75 VanDerWaalsContact CD-CD2 3.48Å; R53-W75 VanDerWaalsContact CD-NE1 3.31Å; R53-W75 HydrophobicContact CG-CD2 4.18Å; R53-W75 HydrophobicContact CG-CG 4.43Å; R53-W75 HydrophobicContact CG-CZ2 4.31Å; V54-W75 VanDerWaalsContact C-CZ3 3.44Å; V54-W75 VanDerWaalsContact O-CH2 3.3Å; V54-W75 WeakPolarHBondContact O-CH2 3.35Å; V54-W75 WeakPolarHBondContact O-CZ3 3.42Å; F55-W75 HydrophobicContact CB-CE3 4.46Å; F55-W75 HydrophobicContact CB-CZ3 4.16Å; F55-W75 HydrophobicContact CD2-CE3 4.14Å; F55-W75 HydrophobicContact CD2-CZ3 4.19Å; W75-I77 VanDerWaalsContact C-N 3.28Å; W75-I77 PolarHBondContact O-N 2.9Å; W75-K79 WeakPolarHBondContact O-CB 3.49Å; W75-K79 PolarHBondContact O-N 2.88Å
76	K	78.9	Confident	65.2	Low	169 Å²	169	48.6 Å²	48.6	74%	0.735	24%	0.241	S	C	*	.	H	α-helix	trans	-63.8	-38.5	-179.9	-67.3	179.2	-179.9	173.7	0	110.4	D74 R80	D74-K76 PolarHBondContact O-N 3.33Å; D74-K76 WeakPolarHBondContact OD1-CB 3.45Å; D74-K76 PolarHBondContact OD1-N 3.32Å; K76-R80 WeakPolarHBondContact O-CB 3.42Å; K76-R80 PolarHBondContact O-N 3.4Å
77	I	69.4	Low	65.6	Low	82 Å²	82	47.6 Å²	47.6	42%	0.421	24%	0.235	S	C	.	.	H	α-helix	trans	-73	-51.1	178.4	-60.9	178.5	0	0	0	110.6	S72 D74 W75 K79 R80 I81	S72-I77 WeakPolarHBondContact OG-CB 3.09Å; S72-I77 VanDerWaalsContact OG-CG2 3.3Å; S72-I77 WeakPolarHBondContact OG-CG2 3.47Å; D74-I77 HydrophobicContact CB-CB 4.18Å; D74-I77 HydrophobicContact CB-CD1 3.92Å; D74-I77 HydrophobicContact CB-CG1 3.92Å; D74-I77 PolarHBondContact O-N 3.49Å; D74-I77 VanDerWaalsContact O-N 3.08Å; W75-I77 VanDerWaalsContact C-N 3.28Å; W75-I77 PolarHBondContact O-N 2.9Å; I77-K79 VanDerWaalsContact C-N 3.33Å; I77-K79 PolarHBondContact O-N 3.29Å; I77-R80 WeakPolarHBondContact O-CB 3.18Å; I77-R80 PolarHBondContact O-N 3.48Å; I77-R80 VanDerWaalsContact O-N 3.13Å; I77-I81 HydrophobicContact CG2-CD1 3.7Å; I77-I81 HydrophobicContact CG2-CG1 4.32Å; I77-I81 WeakPolarHBondContact O-CG1 3.3Å; I77-I81 PolarHBondContact O-N 3.45Å
78	A	61.1	Low	65.5	Low	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55	-49.6	177.1	0	0	0	0	0	111.2	R53 F55 A70 D74 R80 I81 A82	R53-A78 WeakPolarHBondContact O-CB 3.47Å; F55-A78 HydrophobicContact CB-CB 3.91Å; A70-A78 WeakPolarHBondContact CB-O 3.29Å; D74-A78 PolarHBondContact O-N 2.96Å; A78-R80 VanDerWaalsContact C-N 3.35Å; A78-R80 PolarHBondContact O-N 2.87Å; A78-I81 PolarHBondContact O-N 2.94Å; A78-A82 WeakPolarHBondContact O-CB 3.36Å; A78-A82 PolarHBondContact O-N 3.19Å
79	K	71.5	Confident	65.3	Low	63 Å²	63	51.9 Å²	51.9	27%	0.274	26%	0.257	S	S	.	.	H	α-helix	trans	-57.1	-45.8	176	177.9	-178.7	-177.8	-179	0	112.6	F55 W75 I77 S83	F55-K79 HydrophobicContact CD1-CB 4.26Å; F55-K79 HydrophobicContact CD1-CG 4.38Å; F55-K79 HydrophobicContact CD2-CB 3.82Å; F55-K79 HydrophobicContact CD2-CG 4.22Å; F55-K79 HydrophobicContact CE1-CB 4.36Å; F55-K79 HydrophobicContact CE1-CG 4Å; F55-K79 HydrophobicContact CE2-CB 3.98Å; F55-K79 HydrophobicContact CE2-CD 4.21Å; F55-K79 HydrophobicContact CE2-CG 3.86Å; F55-K79 HydrophobicContact CG-CB 3.98Å; F55-K79 HydrophobicContact CG-CG 4.47Å; F55-K79 HydrophobicContact CZ-CB 4.24Å; F55-K79 HydrophobicContact CZ-CD 4.3Å; F55-K79 HydrophobicContact CZ-CG 3.73Å; W75-K79 WeakPolarHBondContact O-CB 3.49Å; W75-K79 PolarHBondContact O-N 2.88Å; I77-K79 VanDerWaalsContact C-N 3.33Å; I77-K79 PolarHBondContact O-N 3.29Å; K79-S83 WeakPolarHBondContact O-CB 3.46Å; K79-S83 PolarHBondContact O-N 3.46Å; K79-S83 PolarHBondContact O-OG 3Å
80	R	64.7	Low	65.3	Low	137 Å²	137	51.2 Å²	51.2	52%	0.517	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-55.6	177.4	-176.2	179.3	174.6	177.9	-1	109.4	K76 I77 A78 A82 S83 Y84	K76-R80 WeakPolarHBondContact O-CB 3.42Å; K76-R80 PolarHBondContact O-N 3.4Å; I77-R80 WeakPolarHBondContact O-CB 3.18Å; I77-R80 PolarHBondContact O-N 3.48Å; I77-R80 VanDerWaalsContact O-N 3.13Å; A78-R80 VanDerWaalsContact C-N 3.35Å; A78-R80 PolarHBondContact O-N 2.87Å; R80-A82 VanDerWaalsContact C-N 3.34Å; R80-A82 PolarHBondContact O-N 2.89Å; R80-S83 WeakPolarHBondContact O-CB 3.49Å; R80-S83 PolarHBondContact O-N 3.27Å; R80-S83 VanDerWaalsContact O-N 3.09Å; R80-Y84 HydrophobicContact CG-CD2 3.71Å; R80-Y84 HydrophobicContact CG-CE2 3.5Å; R80-Y84 VanDerWaalsContact O-CD2 3.23Å; R80-Y84 WeakPolarHBondContact O-CD2 3.46Å; R80-Y84 PolarHBondContact O-N 3.49Å
81	I	62.6	Low	65	Low	66 Å²	66	53.3 Å²	53.3	34%	0.338	26%	0.263	S	S	.	.	H	α-helix	trans	-55.5	-48.5	-178.4	-64.9	168.1	0	0	0	111	A70 I77 A78 S83 Y84 R85	A70-I81 HydrophobicContact CB-CB 3.72Å; A70-I81 HydrophobicContact CB-CG2 3.58Å; I77-I81 HydrophobicContact CG2-CD1 3.7Å; I77-I81 HydrophobicContact CG2-CG1 4.32Å; I77-I81 WeakPolarHBondContact O-CG1 3.3Å; I77-I81 PolarHBondContact O-N 3.45Å; A78-I81 PolarHBondContact O-N 2.94Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 2.91Å; I81-Y84 PolarHBondContact O-N 2.95Å; I81-R85 HydrophobicContact CG2-CG 4.39Å; I81-R85 WeakPolarHBondContact O-CG 3.17Å; I81-R85 PolarHBondContact O-N 2.78Å
82	A	63	Low	64.3	Low	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-42.1	177.8	0	0	0	0	0	112.3	F55 A70 A78 R80 Y84 R85 V86	F55-A82 HydrophobicContact CB-CB 4.39Å; F55-A82 HydrophobicContact CD1-CB 3.68Å; F55-A82 HydrophobicContact CG-CB 4.49Å; A70-A82 HydrophobicContact CB-CB 3.87Å; A78-A82 WeakPolarHBondContact O-CB 3.36Å; A78-A82 PolarHBondContact O-N 3.19Å; R80-A82 VanDerWaalsContact C-N 3.34Å; R80-A82 PolarHBondContact O-N 2.89Å; A82-Y84 PolarHBondContact O-N 3.26Å; A82-R85 PolarHBondContact O-N 3.43Å; A82-V86 WeakPolarHBondContact O-CG2 3.46Å; A82-V86 PolarHBondContact O-N 2.94Å
83	S	65.6	Low	63.6	Low	3 Å²	3	50.6 Å²	50.6	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-44.3	175.6	-55.4	0	0	0	0	111.8	I31 K79 R80 I81 R85 V86 C87	I31-S83 WeakPolarHBondContact CD1-O 3.49Å; K79-S83 WeakPolarHBondContact O-CB 3.46Å; K79-S83 PolarHBondContact O-N 3.46Å; K79-S83 PolarHBondContact O-OG 3Å; R80-S83 WeakPolarHBondContact O-CB 3.49Å; R80-S83 PolarHBondContact O-N 3.27Å; R80-S83 VanDerWaalsContact O-N 3.09Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 2.91Å; S83-R85 VanDerWaalsContact C-N 3.33Å; S83-R85 PolarHBondContact O-N 3.41Å; S83-V86 PolarHBondContact O-N 2.85Å; S83-C87 PolarHBondContact O-N 3.15Å; S83-C87 VanDerWaalsContact O-N 3.08Å
84	Y	61.2	Low	62.4	Low	38 Å²	38	48.6 Å²	48.6	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-63.2	-40.5	176	-83.9	-88.6	0	0	0	111.9	M27 R80 I81 A82 C87 A88 F105 V108	M27-Y84 HydrophobicContact CE-CE1 4.45Å; R80-Y84 HydrophobicContact CG-CD2 3.71Å; R80-Y84 HydrophobicContact CG-CE2 3.5Å; R80-Y84 VanDerWaalsContact O-CD2 3.23Å; R80-Y84 WeakPolarHBondContact O-CD2 3.46Å; R80-Y84 PolarHBondContact O-N 3.49Å; I81-Y84 PolarHBondContact O-N 2.95Å; A82-Y84 PolarHBondContact O-N 3.26Å; Y84-C87 PolarHBondContact O-N 3.15Å; Y84-A88 WeakPolarHBondContact O-CB 3.38Å; Y84-A88 PolarHBondContact O-N 2.93Å; Y84-F105 AromaticContact CD1-CD2 3.37Å; Y84-F105 HydrophobicContact CD1-CD2 3.37Å; Y84-F105 AromaticContact CD1-CE2 3.39Å; Y84-F105 HydrophobicContact CD1-CE2 3.39Å; Y84-F105 HydrophobicContact CD1-CG 4.48Å; Y84-F105 AromaticContact CE1-CD2 3.42Å; Y84-F105 HydrophobicContact CE1-CD2 3.42Å; Y84-F105 VanDerWaalsContact CE1-CD2 3.42Å; Y84-F105 AromaticContact CE1-CE2 3.96Å; Y84-F105 HydrophobicContact CE1-CE2 3.96Å; Y84-F105 HydrophobicContact CE1-CG 4.23Å; Y84-F105 HydrophobicContact CG-CD2 4.4Å; Y84-F105 HydrophobicContact CG-CE2 4.28Å; Y84-V108 HydrophobicContact CD1-CB 4.43Å; Y84-V108 HydrophobicContact CD1-CG1 4.04Å; Y84-V108 HydrophobicContact CE1-CB 3.6Å; Y84-V108 HydrophobicContact CE1-CG1 3.66Å; Y84-V108 HydrophobicContact CE1-CG2 3.73Å; Y84-V108 WeakPolarHBondContact OH-CG2 3.41Å
85	R	63.1	Low	61.3	Low	116 Å²	116	46.7 Å²	46.7	44%	0.438	23%	0.234	S	C	.	.	H	α-helix	trans	-62.2	-41.5	175.8	-72.3	176.9	175.3	-158	-9.3	111.3	V68 S69 I81 A82 S83 A88 R89	V68-R85 HydrophobicContact CG1-CB 3.29Å; V68-R85 HydrophobicContact CG1-CG 4.29Å; S69-R85 WeakPolarHBondContact O-CD 3.37Å; S69-R85 PolarHBondContact O-NH1 2.89Å; I81-R85 HydrophobicContact CG2-CG 4.39Å; I81-R85 WeakPolarHBondContact O-CG 3.17Å; I81-R85 PolarHBondContact O-N 2.78Å; A82-R85 PolarHBondContact O-N 3.43Å; S83-R85 VanDerWaalsContact C-N 3.33Å; S83-R85 PolarHBondContact O-N 3.41Å; R85-A88 PolarHBondContact O-N 2.76Å; R85-R89 VanDerWaalsContact O-CG 3.31Å; R85-R89 WeakPolarHBondContact O-CG 3.29Å; R85-R89 PolarHBondContact O-N 3.18Å
86	V	65.4	Low	60	Low	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-50	174	167.9	0	0	0	0	111.3	I31 M35 Y42 C57 I59 V68 A82 S83 A88 R89 L90	I31-V86 HydrophobicContact CD1-CB 4.26Å; I31-V86 HydrophobicContact CD1-CG1 4.22Å; I31-V86 HydrophobicContact CG2-CG1 3.67Å; M35-V86 HydrophobicContact CE-CG1 3.81Å; Y42-V86 HydrophobicContact CE2-CG1 4.15Å; Y42-V86 HydrophobicContact CE2-CG2 4.08Å; C57-V86 HydrophobicContact CB-CG2 3.67Å; I59-V86 HydrophobicContact CD1-CB 4.39Å; I59-V86 HydrophobicContact CD1-CG1 3.74Å; I59-V86 HydrophobicContact CD1-CG2 4.23Å; I59-V86 HydrophobicContact CG1-CG1 4.29Å; V68-V86 HydrophobicContact CB-CG2 4.03Å; V68-V86 HydrophobicContact CG1-CG2 4.19Å; V68-V86 HydrophobicContact CG2-CG2 4.15Å; A82-V86 WeakPolarHBondContact O-CG2 3.46Å; A82-V86 PolarHBondContact O-N 2.94Å; S83-V86 PolarHBondContact O-N 2.85Å; V86-A88 VanDerWaalsContact C-N 3.32Å; V86-A88 PolarHBondContact O-N 3.3Å; V86-R89 PolarHBondContact O-N 3.27Å; V86-L90 HydrophobicContact CG1-CD1 3.97Å; V86-L90 HydrophobicContact CG1-CG 4.4Å; V86-L90 WeakPolarHBondContact O-CG 3.43Å; V86-L90 PolarHBondContact O-N 3.04Å
87	C	60.2	Low	58.7	Low	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-43	176	-71.9	0	0	0	0	112.4	I31 S83 Y84 R89 L90 L91 L101 F105	I31-C87 WeakPolarHBondContact CD1-SG 3.38Å; I31-C87 WeakPolarHBondContact CG1-SG 3.31Å; S83-C87 PolarHBondContact O-N 3.15Å; S83-C87 VanDerWaalsContact O-N 3.08Å; Y84-C87 PolarHBondContact O-N 3.15Å; C87-R89 VanDerWaalsContact C-N 3.31Å; C87-R89 PolarHBondContact O-N 2.96Å; C87-L90 PolarHBondContact O-N 2.82Å; C87-L91 WeakPolarHBondContact O-CB 3.45Å; C87-L91 VanDerWaalsContact O-CG 3.3Å; C87-L91 WeakPolarHBondContact O-CG 3.34Å; C87-L91 PolarHBondContact O-N 3.03Å; C87-L101 HydrophobicContact CB-CD2 4.08Å; C87-F105 HydrophobicContact CB-CD2 4.03Å; C87-F105 HydrophobicContact CB-CE2 3.4Å; C87-F105 HydrophobicContact CB-CZ 3.76Å
88	A	56.3	Low	57.9	Low	50 Å²	50	37.2 Å²	37.2	41%	0.413	19%	0.194	S	C	.	.	H	α-helix	trans	-62.8	-39.7	178.4	0	0	0	0	0	111.7	Y84 R85 V86 A92	Y84-A88 WeakPolarHBondContact O-CB 3.38Å; Y84-A88 PolarHBondContact O-N 2.93Å; R85-A88 PolarHBondContact O-N 2.76Å; V86-A88 VanDerWaalsContact C-N 3.32Å; V86-A88 PolarHBondContact O-N 3.3Å; A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 3Å
89	R	60	Low	57.9	Low	68 Å²	68	40.1 Å²	40.1	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-56.2	172.6	-68.7	-64.3	-176.4	-170.2	0.6	110.1	V68 R85 V86 C87 L91 A92 L93 Y231	V68-R89 HydrophobicContact CG2-CG 4.27Å; R85-R89 VanDerWaalsContact O-CG 3.31Å; R85-R89 WeakPolarHBondContact O-CG 3.29Å; R85-R89 PolarHBondContact O-N 3.18Å; V86-R89 PolarHBondContact O-N 3.27Å; C87-R89 VanDerWaalsContact C-N 3.31Å; C87-R89 PolarHBondContact O-N 2.96Å; R89-L91 PolarHBondContact O-N 3.27Å; R89-L91 VanDerWaalsContact O-N 3.17Å; R89-A92 WeakPolarHBondContact O-CA 3.2Å; R89-A92 WeakPolarHBondContact O-CB 3.43Å; R89-A92 PolarHBondContact O-N 2.81Å; R89-L93 VanDerWaalsContact O-CG 3.24Å; R89-L93 WeakPolarHBondContact O-CG 3.43Å; R89-L93 PolarHBondContact O-N 3.43Å; R89-Y231 PolarHBondContact NH1-OH 2.92Å
90	L	58.9	Low	57.1	Low	5 Å²	5	41 Å²	41	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-56.1	-36.3	179.5	-68.3	172.8	0	0	0	113.8	W34 M35 V86 C87 G94 A95 L96	W34-L90 HydrophobicContact CE3-CD1 4.35Å; W34-L90 HydrophobicContact CZ3-CD1 4.11Å; W34-L90 HydrophobicContact CZ3-CD2 4.36Å; M35-L90 HydrophobicContact CE-CD1 3.54Å; M35-L90 HydrophobicContact CE-CD2 3.98Å; M35-L90 HydrophobicContact CE-CG 4.14Å; M35-L90 HydrophobicContact SD-CD1 4.02Å; M35-L90 HydrophobicContact SD-CD2 4.28Å; V86-L90 HydrophobicContact CG1-CD1 3.97Å; V86-L90 HydrophobicContact CG1-CG 4.4Å; V86-L90 WeakPolarHBondContact O-CG 3.43Å; V86-L90 PolarHBondContact O-N 3.04Å; C87-L90 PolarHBondContact O-N 2.82Å; L90-G94 PolarHBondContact O-N 3.35Å; L90-A95 HydrophobicContact CB-CB 4.46Å; L90-A95 HydrophobicContact CD2-CB 4.01Å; L90-A95 PolarHBondContact O-N 3.12Å; L90-L96 HydrophobicContact CB-CB 4.04Å; L90-L96 HydrophobicContact CB-CD1 3.57Å; L90-L96 HydrophobicContact CB-CG 3.85Å; L90-L96 HydrophobicContact CD1-CD1 3.37Å; L90-L96 HydrophobicContact CD1-CG 4.03Å; L90-L96 HydrophobicContact CG-CD1 4.15Å; L90-L96 PolarHBondContact O-N 3.35Å; L90-L96 VanDerWaalsContact O-N 3.15Å
91	L	51.3	Low	56.7	Low	45 Å²	45	34.8 Å²	34.8	24%	0.236	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-45.4	171.7	-78	172.9	0	0	0	112.4	C87 R89 L93 G94 L96 F98 L101 F105	C87-L91 WeakPolarHBondContact O-CB 3.45Å; C87-L91 VanDerWaalsContact O-CG 3.3Å; C87-L91 WeakPolarHBondContact O-CG 3.34Å; C87-L91 PolarHBondContact O-N 3.03Å; R89-L91 PolarHBondContact O-N 3.27Å; R89-L91 VanDerWaalsContact O-N 3.17Å; L91-L93 PolarHBondContact O-N 3.46Å; L91-G94 PolarHBondContact O-N 3.19Å; L91-L96 HydrophobicContact CD2-CB 4.25Å; L91-L96 WeakPolarHBondContact CD2-O 3.44Å; L91-F98 HydrophobicContact CD1-CD2 4.06Å; L91-F98 HydrophobicContact CD2-CB 4.21Å; L91-F98 HydrophobicContact CD2-CD2 4.21Å; L91-L101 HydrophobicContact CD1-CD1 3.48Å; L91-L101 VanDerWaalsContact CD1-CD1 3.48Å; L91-L101 HydrophobicContact CD2-CD1 3.81Å; L91-L101 HydrophobicContact CG-CD1 3.77Å; L91-F105 HydrophobicContact CD1-CE1 3.57Å; L91-F105 HydrophobicContact CD1-CZ 3.92Å
92	A	49.1	Very low	56.6	Low	46 Å²	46	33.2 Å²	33.2	38%	0.38	19%	0.186	S	C	.	.	H	α-helix	trans	-62.6	-33	179	0	0	0	0	0	111.7	A88 R89 G94 F230	A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 3Å; R89-A92 WeakPolarHBondContact O-CA 3.2Å; R89-A92 WeakPolarHBondContact O-CB 3.43Å; R89-A92 PolarHBondContact O-N 2.81Å; A92-G94 VanDerWaalsContact C-N 3.29Å; A92-F230 HydrophobicContact CB-CZ 4.43Å
93	L	49.4	Very low	56.6	Low	9 Å²	9	36.5 Å²	36.5	5%	0.047	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.2	175.6	-53.9	175.1	0	0	0	113.5	I66 R89 L91 A95 L223 I227	I66-L93 HydrophobicContact CD1-CD1 3.82Å; R89-L93 VanDerWaalsContact O-CG 3.24Å; R89-L93 WeakPolarHBondContact O-CG 3.43Å; R89-L93 PolarHBondContact O-N 3.43Å; L91-L93 PolarHBondContact O-N 3.46Å; L93-A95 PolarHBondContact O-N 3.11Å; L93-A95 VanDerWaalsContact O-N 3.15Å; L93-L223 HydrophobicContact CB-CD1 3.71Å; L93-L223 WeakPolarHBondContact O-CD1 3.34Å; L93-I227 HydrophobicContact CB-CG1 4.41Å; L93-I227 HydrophobicContact CD1-CD1 3.38Å; L93-I227 HydrophobicContact CD1-CG1 3.96Å; L93-I227 HydrophobicContact CD2-CB 3.65Å; L93-I227 HydrophobicContact CD2-CD1 3.67Å; L93-I227 HydrophobicContact CD2-CG1 3.28Å; L93-I227 HydrophobicContact CD2-CG2 3.69Å; L93-I227 HydrophobicContact CG-CD1 3.99Å; L93-I227 HydrophobicContact CG-CG1 3.99Å
94	G	46.1	Very low	56.2	Low	34 Å²	34	43.1 Å²	43.1	35%	0.351	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	3.3	-174.7	0	0	0	0	0	115.3	L90 L91 A92	L90-G94 PolarHBondContact O-N 3.35Å; L91-G94 PolarHBondContact O-N 3.19Å; A92-G94 VanDerWaalsContact C-N 3.29Å
95	A	51.2	Low	55.8	Low	26 Å²	26	41.7 Å²	41.7	22%	0.215	23%	0.232	C	C	.	.	S	Bend	trans	-67.9	-35.8	177.6	0	0	0	0	0	112.5	W34 L90 L93 L223	W34-A95 HydrophobicContact CH2-CB 4.27Å; W34-A95 VanDerWaalsContact CH2-O 3.29Å; W34-A95 WeakPolarHBondContact CH2-O 3.32Å; W34-A95 WeakPolarHBondContact CZ2-O 3.26Å; L90-A95 HydrophobicContact CB-CB 4.46Å; L90-A95 HydrophobicContact CD2-CB 4.01Å; L90-A95 PolarHBondContact O-N 3.12Å; L93-A95 PolarHBondContact O-N 3.11Å; L93-A95 VanDerWaalsContact O-N 3.15Å; A95-L223 HydrophobicContact CB-CD1 4.03Å; A95-L223 HydrophobicContact CB-CD2 4.12Å
96	L	51.5	Low	55.4	Low	5 Å²	5	38.3 Å²	38.3	3%	0.026	22%	0.221	C	C	.	.	S	Bend	trans	-105	137.1	170.5	-84.3	173.2	0	0	0	109.8	F30 W34 L90 L91 Q100 L101	F30-L96 HydrophobicContact CZ-CD2 4.38Å; W34-L96 HydrophobicContact CD2-CD2 3.52Å; W34-L96 HydrophobicContact CD2-CG 4.21Å; W34-L96 HydrophobicContact CE3-CD2 4.1Å; W34-L96 HydrophobicContact CE3-CG 4.29Å; W34-L96 HydrophobicContact CG-CD2 3.96Å; W34-L96 HydrophobicContact CH2-CD2 4.04Å; W34-L96 HydrophobicContact CH2-CG 3.96Å; W34-L96 HydrophobicContact CZ2-CD2 3.44Å; W34-L96 VanDerWaalsContact CZ2-CD2 3.44Å; W34-L96 HydrophobicContact CZ2-CG 3.85Å; W34-L96 HydrophobicContact CZ3-CD2 4.33Å; W34-L96 HydrophobicContact CZ3-CG 4.17Å; W34-L96 VanDerWaalsContact NE1-CD2 3.31Å; L90-L96 HydrophobicContact CB-CB 4.04Å; L90-L96 HydrophobicContact CB-CD1 3.57Å; L90-L96 HydrophobicContact CB-CG 3.85Å; L90-L96 HydrophobicContact CD1-CD1 3.37Å; L90-L96 HydrophobicContact CD1-CG 4.03Å; L90-L96 HydrophobicContact CG-CD1 4.15Å; L90-L96 PolarHBondContact O-N 3.35Å; L90-L96 VanDerWaalsContact O-N 3.15Å; L91-L96 HydrophobicContact CD2-CB 4.25Å; L91-L96 WeakPolarHBondContact CD2-O 3.44Å; L96-Q100 HydrophobicContact CD2-CB 4Å; L96-L101 HydrophobicContact CD1-CD2 3.72Å
97	T	51.9	Low	54.9	Low	48 Å²	48	41.9 Å²	41.9	29%	0.294	24%	0.24	S	C	.	.			trans	-87.2	147.7	162.4	62.6	0	0	0	0	109.5	D99 Q100	T97-D99 WeakPolarHBondContact CB-OD1 3.35Å; T97-D99 PolarHBondContact O-N 3.22Å; T97-D99 VanDerWaalsContact O-N 3.15Å; T97-D99 PolarHBondContact OG1-OD1 3.05Å; T97-Q100 WeakPolarHBondContact O-CB 3.37Å; T97-Q100 PolarHBondContact O-N 3.37Å; T97-Q100 VanDerWaalsContact OG1-CG 3.26Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.4Å; T97-Q100 PolarHBondContact OG1-OE1 2.77Å
98	F	52.1	Low	54.5	Low	23 Å²	23	43 Å²	43	10%	0.101	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.6	-31.7	-174.8	-167.5	-95.7	0	0	0	112.7	L91 Q100 L101 F105 H106 C109 V139	L91-F98 HydrophobicContact CD1-CD2 4.06Å; L91-F98 HydrophobicContact CD2-CB 4.21Å; L91-F98 HydrophobicContact CD2-CD2 4.21Å; F98-Q100 VanDerWaalsContact C-N 3.3Å; F98-Q100 PolarHBondContact O-N 3.29Å; F98-L101 HydrophobicContact CD2-CD1 4.42Å; F98-L101 WeakPolarHBondContact O-CB 3.45Å; F98-L101 PolarHBondContact O-N 3.35Å; F98-F105 HydrophobicContact CE2-CD1 4.25Å; F98-F105 HydrophobicContact CE2-CE1 4.18Å; F98-H106 AromaticContact CD1-CD2 3.79Å; F98-H106 AromaticContact CD1-NE2 3.8Å; F98-H106 HydrophobicContact CE1-CB 4.21Å; F98-H106 AromaticContact CE1-CD2 3.3Å; F98-H106 WeakPolarHBondContact CE1-CD2 2.98Å; F98-H106 AromaticContact CE1-CG 3.74Å; F98-H106 AromaticContact CE1-NE2 3.79Å; F98-H106 HydrophobicContact CZ-CB 4.33Å; F98-H106 AromaticContact CZ-CD2 3.6Å; F98-H106 PolarHBondContact O-NE2 3.12Å; F98-C109 HydrophobicContact CE2-CB 4.14Å; F98-C109 HydrophobicContact CZ-CB 4.05Å; F98-V139 HydrophobicContact CD1-CG2 3.77Å; F98-V139 HydrophobicContact CE1-CG2 4.26Å
99	D	61	Low	54	Low	61 Å²	61	42 Å²	42	33%	0.326	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-73.1	-16.3	177.9	62.4	-37.4	0	0	0	114.5	T97 L101 R143	T97-D99 WeakPolarHBondContact CB-OD1 3.35Å; T97-D99 PolarHBondContact O-N 3.22Å; T97-D99 VanDerWaalsContact O-N 3.15Å; T97-D99 PolarHBondContact OG1-OD1 3.05Å; D99-L101 VanDerWaalsContact C-N 3.27Å; D99-R143 IonicContact OD2-NE 3.63Å
100	Q	54.8	Low	53.3	Low	81 Å²	81	41.3 Å²	41.3	38%	0.379	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-74.9	-19.8	172.1	-71	168.4	-22.3	0	0	112.2	F30 L96 T97 F98	F30-Q100 WeakPolarHBondContact CE2-O 3.47Å; F30-Q100 WeakPolarHBondContact CZ-O 3.07Å; L96-Q100 HydrophobicContact CD2-CB 4Å; T97-Q100 WeakPolarHBondContact O-CB 3.37Å; T97-Q100 PolarHBondContact O-N 3.37Å; T97-Q100 VanDerWaalsContact OG1-CG 3.26Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.4Å; T97-Q100 PolarHBondContact OG1-OE1 2.77Å; F98-Q100 VanDerWaalsContact C-N 3.3Å; F98-Q100 PolarHBondContact O-N 3.29Å
101	L	56.4	Low	52.9	Low	6 Å²	6	48.2 Å²	48.2	3%	0.031	26%	0.26	C	S	.	.	S	Bend	trans	-76.8	146.9	-175.5	-66.6	175.5	0	0	0	112.8	F30 C87 L91 L96 F98 D99 F105 H106	F30-L101 HydrophobicContact CD1-CD2 4.48Å; F30-L101 HydrophobicContact CE1-CD2 3.62Å; F30-L101 HydrophobicContact CZ-CD2 4.19Å; C87-L101 HydrophobicContact CB-CD2 4.08Å; L91-L101 HydrophobicContact CD1-CD1 3.48Å; L91-L101 VanDerWaalsContact CD1-CD1 3.48Å; L91-L101 HydrophobicContact CD2-CD1 3.81Å; L91-L101 HydrophobicContact CG-CD1 3.77Å; L96-L101 HydrophobicContact CD1-CD2 3.72Å; F98-L101 HydrophobicContact CD2-CD1 4.42Å; F98-L101 WeakPolarHBondContact O-CB 3.45Å; F98-L101 PolarHBondContact O-N 3.35Å; D99-L101 VanDerWaalsContact C-N 3.27Å; L101-F105 HydrophobicContact CB-CB 4.09Å; L101-F105 HydrophobicContact CB-CD1 4.16Å; L101-F105 HydrophobicContact CB-CG 4.31Å; L101-F105 HydrophobicContact CD1-CD1 3.28Å; L101-F105 HydrophobicContact CD1-CE1 3.33Å; L101-F105 HydrophobicContact CD1-CG 3.93Å; L101-F105 HydrophobicContact CD1-CZ 4.06Å; L101-F105 HydrophobicContact CG-CD1 4.28Å; L101-H106 PolarHBondContact O-CE1 2.92Å; L101-H106 VanDerWaalsContact O-CE1 3.29Å; L101-H106 PolarHBondContact O-NE2 3.24Å; L101-H106 VanDerWaalsContact O-NE2 3.12Å
102	P	60.9	Low	52.4	Low	34 Å²	34	50.8 Å²	50.8	22%	0.221	27%	0.273	C	S	.	.			trans	-57.9	144.8	175.1	-24.1	32.7	0	0	0	111.9	M27 F30 K104 F105 H106	M27-P102 HydrophobicContact CE-CB 4.16Å; M27-P102 HydrophobicContact CE-CG 4.05Å; M27-P102 HydrophobicContact SD-CG 4.05Å; F30-P102 HydrophobicContact CB-CG 3.65Å; F30-P102 VanDerWaalsContact CD1-CD 3.45Å; F30-P102 HydrophobicContact CD1-CG 3.74Å; F30-P102 HydrophobicContact CD2-CG 3.76Å; F30-P102 HydrophobicContact CE1-CG 4.43Å; F30-P102 HydrophobicContact CE2-CG 4.41Å; F30-P102 HydrophobicContact CG-CG 3.38Å; P102-K104 PolarHBondContact O-N 2.86Å; P102-F105 WeakPolarHBondContact O-CA 3.3Å; P102-F105 VanDerWaalsContact O-CB 3.25Å; P102-F105 WeakPolarHBondContact O-CB 3.42Å; P102-F105 PolarHBondContact O-N 2.91Å; P102-H106 PolarHBondContact O-N 3.39Å
103	S	61.7	Low	51.9	Low	69 Å²	69	51.8 Å²	51.8	48%	0.483	27%	0.271	S	S	.	.	H	α-helix	trans	-52.1	-30.7	178.4	63.6	0	0	0	0	113.8	F105 H106 N107	S103-F105 VanDerWaalsContact C-N 3.31Å; S103-F105 PolarHBondContact O-N 3.37Å; S103-H106 WeakPolarHBondContact O-CB 3.24Å; S103-H106 PolarHBondContact O-N 3.47Å; S103-N107 PolarHBondContact O-N 2.91Å; S103-N107 PolarHBondContact O-ND2 2.91Å
104	K	58.5	Low	51.6	Low	142 Å²	142	53.5 Å²	53.5	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-59.9	-38	172.7	-72.4	-177.2	-178.8	174.8	0	112.5	P102 N107 V108	P102-K104 PolarHBondContact O-N 2.86Å; K104-N107 PolarHBondContact O-N 3.07Å; K104-V108 WeakPolarHBondContact O-CG2 3.38Å; K104-V108 PolarHBondContact O-N 3.36Å
105	F	53	Low	51.5	Low	7 Å²	7	57.6 Å²	57.6	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-48.3	173.3	-166.4	-96.8	0	0	0	110.8	M27 Y84 C87 L91 F98 L101 P102 S103 N107 V108 C109	M27-F105 HydrophobicContact CE-CB 3.47Å; M27-F105 VanDerWaalsContact CE-CB 3.47Å; M27-F105 HydrophobicContact CE-CD2 3.92Å; M27-F105 HydrophobicContact CE-CG 4.17Å; M27-F105 HydrophobicContact SD-CB 4.41Å; M27-F105 HydrophobicContact SD-CD2 4.21Å; Y84-F105 AromaticContact CD1-CD2 3.37Å; Y84-F105 HydrophobicContact CD1-CD2 3.37Å; Y84-F105 AromaticContact CD1-CE2 3.39Å; Y84-F105 HydrophobicContact CD1-CE2 3.39Å; Y84-F105 HydrophobicContact CD1-CG 4.48Å; Y84-F105 AromaticContact CE1-CD2 3.42Å; Y84-F105 HydrophobicContact CE1-CD2 3.42Å; Y84-F105 VanDerWaalsContact CE1-CD2 3.42Å; Y84-F105 AromaticContact CE1-CE2 3.96Å; Y84-F105 HydrophobicContact CE1-CE2 3.96Å; Y84-F105 HydrophobicContact CE1-CG 4.23Å; Y84-F105 HydrophobicContact CG-CD2 4.4Å; Y84-F105 HydrophobicContact CG-CE2 4.28Å; C87-F105 HydrophobicContact CB-CD2 4.03Å; C87-F105 HydrophobicContact CB-CE2 3.4Å; C87-F105 HydrophobicContact CB-CZ 3.76Å; L91-F105 HydrophobicContact CD1-CE1 3.57Å; L91-F105 HydrophobicContact CD1-CZ 3.92Å; F98-F105 HydrophobicContact CE2-CD1 4.25Å; F98-F105 HydrophobicContact CE2-CE1 4.18Å; L101-F105 HydrophobicContact CB-CB 4.09Å; L101-F105 HydrophobicContact CB-CD1 4.16Å; L101-F105 HydrophobicContact CB-CG 4.31Å; L101-F105 HydrophobicContact CD1-CD1 3.28Å; L101-F105 HydrophobicContact CD1-CE1 3.33Å; L101-F105 HydrophobicContact CD1-CG 3.93Å; L101-F105 HydrophobicContact CD1-CZ 4.06Å; L101-F105 HydrophobicContact CG-CD1 4.28Å; P102-F105 WeakPolarHBondContact O-CA 3.3Å; P102-F105 VanDerWaalsContact O-CB 3.25Å; P102-F105 WeakPolarHBondContact O-CB 3.42Å; P102-F105 PolarHBondContact O-N 2.91Å; S103-F105 VanDerWaalsContact C-N 3.31Å; S103-F105 PolarHBondContact O-N 3.37Å; F105-N107 PolarHBondContact O-N 3.3Å; F105-V108 CarbonylContact O-C 3.55Å; F105-V108 WeakPolarHBondContact O-CA 3.45Å; F105-V108 PolarHBondContact O-N 3.17Å; F105-C109 WeakPolarHBondContact CD1-SG 3.41Å; F105-C109 WeakPolarHBondContact CE1-SG 3.4Å; F105-C109 PolarHBondContact O-N 2.93Å
106	H	53.7	Low	50.7	Low	45 Å²	45	63.5 Å²	63.5	21%	0.208	31%	0.308	C	S	.	.	H	α-helix	trans	-56.4	-41.9	178.7	-56.6	167.7	0	0	0	110.9	F98 L101 P102 S103 V108 C109 R110	F98-H106 AromaticContact CD1-CD2 3.79Å; F98-H106 AromaticContact CD1-NE2 3.8Å; F98-H106 HydrophobicContact CE1-CB 4.21Å; F98-H106 AromaticContact CE1-CD2 3.3Å; F98-H106 WeakPolarHBondContact CE1-CD2 2.98Å; F98-H106 AromaticContact CE1-CG 3.74Å; F98-H106 AromaticContact CE1-NE2 3.79Å; F98-H106 HydrophobicContact CZ-CB 4.33Å; F98-H106 AromaticContact CZ-CD2 3.6Å; F98-H106 PolarHBondContact O-NE2 3.12Å; L101-H106 PolarHBondContact O-CE1 2.92Å; L101-H106 VanDerWaalsContact O-CE1 3.29Å; L101-H106 PolarHBondContact O-NE2 3.24Å; L101-H106 VanDerWaalsContact O-NE2 3.12Å; P102-H106 PolarHBondContact O-N 3.39Å; S103-H106 WeakPolarHBondContact O-CB 3.24Å; S103-H106 PolarHBondContact O-N 3.47Å; H106-V108 VanDerWaalsContact C-N 3.31Å; H106-V108 PolarHBondContact O-N 2.95Å; H106-C109 PolarHBondContact O-N 3.17Å; H106-R110 WeakPolarHBondContact O-CB 3.33Å; H106-R110 PolarHBondContact O-N 3.26Å
107	N	54.9	Low	49.8	Very low	75 Å²	75	64.1 Å²	64.1	40%	0.401	31%	0.312	S	S	.	.	H	α-helix	trans	-65.3	-30.5	176.3	-74.3	-30.5	0	0	0	113.6	S103 K104 F105 R111	S103-N107 PolarHBondContact O-N 2.91Å; S103-N107 PolarHBondContact O-ND2 2.91Å; K104-N107 PolarHBondContact O-N 3.07Å; F105-N107 PolarHBondContact O-N 3.3Å; N107-R111 WeakPolarHBondContact O-CB 3.23Å; N107-R111 VanDerWaalsContact O-CG 3.32Å; N107-R111 WeakPolarHBondContact O-CG 3.31Å; N107-R111 PolarHBondContact O-N 2.83Å; N107-R111 VanDerWaalsContact O-N 3.12Å; N107-R111 PolarHBondContact O-NE 3.23Å
108	V	50.9	Low	49.3	Very low	25 Å²	25	66.8 Å²	66.8	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-76.4	-48.4	173.9	170.2	0	0	0	0	110.8	Y84 K104 F105 H106 R110 R111 L112	Y84-V108 HydrophobicContact CD1-CB 4.43Å; Y84-V108 HydrophobicContact CD1-CG1 4.04Å; Y84-V108 HydrophobicContact CE1-CB 3.6Å; Y84-V108 HydrophobicContact CE1-CG1 3.66Å; Y84-V108 HydrophobicContact CE1-CG2 3.73Å; Y84-V108 WeakPolarHBondContact OH-CG2 3.41Å; K104-V108 WeakPolarHBondContact O-CG2 3.38Å; K104-V108 PolarHBondContact O-N 3.36Å; F105-V108 CarbonylContact O-C 3.55Å; F105-V108 WeakPolarHBondContact O-CA 3.45Å; F105-V108 PolarHBondContact O-N 3.17Å; H106-V108 VanDerWaalsContact C-N 3.31Å; H106-V108 PolarHBondContact O-N 2.95Å; V108-R110 VanDerWaalsContact C-N 3.27Å; V108-R110 PolarHBondContact O-N 3.1Å; V108-R111 PolarHBondContact O-N 3.11Å; V108-R111 VanDerWaalsContact O-N 3.11Å; V108-L112 HydrophobicContact CG1-CD1 3.96Å; V108-L112 HydrophobicContact CG1-CG 4.45Å; V108-L112 WeakPolarHBondContact O-CG 3.08Å; V108-L112 PolarHBondContact O-N 2.85Å
109	C	45.8	Very low	48.5	Very low	27 Å²	27	75.8 Å²	75.8	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-57.9	-41.4	174.3	-73.3	0	0	0	0	111.8	F98 F105 H106 L112 M113	F98-C109 HydrophobicContact CE2-CB 4.14Å; F98-C109 HydrophobicContact CZ-CB 4.05Å; F105-C109 WeakPolarHBondContact CD1-SG 3.41Å; F105-C109 WeakPolarHBondContact CE1-SG 3.4Å; F105-C109 PolarHBondContact O-N 2.93Å; H106-C109 PolarHBondContact O-N 3.17Å; C109-L112 PolarHBondContact O-N 3.31Å; C109-M113 WeakPolarHBondContact O-CB 3.35Å; C109-M113 WeakPolarHBondContact O-CG 3.45Å; C109-M113 PolarHBondContact O-N 3.31Å
110	R	47.4	Very low	47.1	Very low	55 Å²	55	78.3 Å²	78.3	21%	0.208	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-41.4	175.6	-171	176.3	-167.6	-158.2	-7.1	111.9	H106 V108 L114 S128 R132	H106-R110 WeakPolarHBondContact O-CB 3.33Å; H106-R110 PolarHBondContact O-N 3.26Å; V108-R110 VanDerWaalsContact C-N 3.27Å; V108-R110 PolarHBondContact O-N 3.1Å; R110-L114 HydrophobicContact CG-CD1 4.27Å; R110-L114 VanDerWaalsContact O-CB 3.31Å; R110-L114 WeakPolarHBondContact O-CB 3.19Å; R110-L114 WeakPolarHBondContact O-CG 3.38Å; R110-L114 PolarHBondContact O-N 3.37Å; R110-S128 PolarHBondContact NH2-O 3.12Å; R110-R132 VanDerWaalsContact NH2-CB 3.26Å; R110-R132 VanDerWaalsContact NH2-NE 3.14Å
111	R	48.5	Very low	46.2	Very low	150 Å²	150	79.1 Å²	79.1	57%	0.566	37%	0.369	S	S	*	.	H	α-helix	trans	-64.4	-43.9	174.1	-85.5	-175.6	-88.1	-170.4	-10.7	111.9	N107 V108 L114 Q115	N107-R111 WeakPolarHBondContact O-CB 3.23Å; N107-R111 VanDerWaalsContact O-CG 3.32Å; N107-R111 WeakPolarHBondContact O-CG 3.31Å; N107-R111 PolarHBondContact O-N 2.83Å; N107-R111 VanDerWaalsContact O-N 3.12Å; N107-R111 PolarHBondContact O-NE 3.23Å; V108-R111 PolarHBondContact O-N 3.11Å; V108-R111 VanDerWaalsContact O-N 3.11Å; R111-L114 PolarHBondContact O-N 3.47Å; R111-Q115 WeakPolarHBondContact O-CB 3.47Å; R111-Q115 WeakPolarHBondContact O-CG 3.48Å; R111-Q115 PolarHBondContact O-N 3.35Å
112	L	42.1	Very low	45.6	Very low	99 Å²	99	84.4 Å²	84.4	52%	0.518	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-47.5	175.3	-75.9	168.3	0	0	0	111.2	V108 C109 L114 Q115 Y116	V108-L112 HydrophobicContact CG1-CD1 3.96Å; V108-L112 HydrophobicContact CG1-CG 4.45Å; V108-L112 WeakPolarHBondContact O-CG 3.08Å; V108-L112 PolarHBondContact O-N 2.85Å; C109-L112 PolarHBondContact O-N 3.31Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-L114 PolarHBondContact O-N 3.33Å; L112-Q115 PolarHBondContact O-N 3.08Å; L112-Y116 VanDerWaalsContact O-CB 3.32Å; L112-Y116 WeakPolarHBondContact O-CB 3.11Å; L112-Y116 PolarHBondContact O-N 3.33Å
113	M	39	Very low	44.7	Very low	66 Å²	66	85.5 Å²	85.5	33%	0.325	42%	0.424	S	S	.	.	H	α-helix	trans	-58.4	-42.6	173.2	-80.1	178.2	46.7	0	0	111.9	C109 Y116 S117 A134	C109-M113 WeakPolarHBondContact O-CB 3.35Å; C109-M113 WeakPolarHBondContact O-CG 3.45Å; C109-M113 PolarHBondContact O-N 3.31Å; M113-Y116 PolarHBondContact O-N 3.09Å; M113-S117 WeakPolarHBondContact O-CB 3.35Å; M113-S117 PolarHBondContact O-N 2.97Å; M113-S117 PolarHBondContact O-OG 3.3Å; M113-A134 HydrophobicContact CE-CB 4.04Å
114	L	41.8	Very low	43.8	Very low	45 Å²	45	91.3 Å²	91.3	24%	0.236	44%	0.436	C	S	.	.	H	α-helix	trans	-63.9	-43.5	176.8	-78.9	167.9	0	0	0	111.3	R110 R111 L112 S117 K118 A131	R110-L114 HydrophobicContact CG-CD1 4.27Å; R110-L114 VanDerWaalsContact O-CB 3.31Å; R110-L114 WeakPolarHBondContact O-CB 3.19Å; R110-L114 WeakPolarHBondContact O-CG 3.38Å; R110-L114 PolarHBondContact O-N 3.37Å; R111-L114 PolarHBondContact O-N 3.47Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-L114 PolarHBondContact O-N 3.33Å; L114-S117 WeakPolarHBondContact CA-OG 3.46Å; L114-S117 PolarHBondContact O-N 3.19Å; L114-S117 PolarHBondContact O-OG 2.97Å; L114-K118 WeakPolarHBondContact O-CB 3.34Å; L114-K118 WeakPolarHBondContact O-CG 3Å; L114-K118 PolarHBondContact O-N 3.48Å; L114-A131 HydrophobicContact CD2-CB 3.41Å; L114-A131 VanDerWaalsContact CD2-CB 3.41Å; L114-A131 HydrophobicContact CG-CB 3.96Å
115	Q	44	Very low	43.2	Very low	120 Å²	120	89.2 Å²	89.2	56%	0.561	44%	0.436	S	S	*	.	H	α-helix	trans	-64.5	-45.2	175.8	-76	178.1	-22.2	0	0	112	R111 L112 K118 R119	R111-Q115 WeakPolarHBondContact O-CB 3.47Å; R111-Q115 WeakPolarHBondContact O-CG 3.48Å; R111-Q115 PolarHBondContact O-N 3.35Å; L112-Q115 PolarHBondContact O-N 3.08Å; Q115-K118 WeakPolarHBondContact O-CB 3.47Å; Q115-K118 PolarHBondContact O-N 2.92Å; Q115-R119 PolarHBondContact O-N 3.24Å
116	Y	34.7	Very low	42.9	Very low	151 Å²	151	90.4 Å²	90.4	59%	0.592	45%	0.445	S	S	*	.	H	α-helix	trans	-64.8	-41	176.9	-161.8	-102.8	0	0	0	111.1	L112 M113 K118 R119 L120	L112-Y116 VanDerWaalsContact O-CB 3.32Å; L112-Y116 WeakPolarHBondContact O-CB 3.11Å; L112-Y116 PolarHBondContact O-N 3.33Å; M113-Y116 PolarHBondContact O-N 3.09Å; Y116-K118 PolarHBondContact O-N 2.89Å; Y116-R119 WeakPolarHBondContact O-CB 3.21Å; Y116-R119 PolarHBondContact O-N 2.91Å; Y116-R119 VanDerWaalsContact O-N 3.17Å; Y116-L120 HydrophobicContact CD1-CD1 3.65Å; Y116-L120 HydrophobicContact CD1-CG 4.11Å; Y116-L120 HydrophobicContact CE1-CD1 3.57Å; Y116-L120 HydrophobicContact CE1-CD2 4.33Å; Y116-L120 HydrophobicContact CE1-CG 3.97Å; Y116-L120 WeakPolarHBondContact O-CG 3.35Å; Y116-L120 PolarHBondContact O-N 3.21Å
117	S	33.6	Very low	42.9	Very low	18 Å²	18	90.6 Å²	90.6	13%	0.126	45%	0.452	C	S	.	.	H	α-helix	trans	-62.6	-41.8	173.6	74.6	0	0	0	0	112	M113 L114 R119 L120 H121 C126	M113-S117 WeakPolarHBondContact O-CB 3.35Å; M113-S117 PolarHBondContact O-N 2.97Å; M113-S117 PolarHBondContact O-OG 3.3Å; L114-S117 WeakPolarHBondContact CA-OG 3.46Å; L114-S117 PolarHBondContact O-N 3.19Å; L114-S117 PolarHBondContact O-OG 2.97Å; S117-R119 VanDerWaalsContact C-N 3.3Å; S117-R119 PolarHBondContact O-N 2.9Å; S117-L120 PolarHBondContact O-N 3.38Å; S117-H121 WeakPolarHBondContact O-CB 3.21Å; S117-H121 PolarHBondContact O-N 2.89Å; S117-H121 PolarHBondContact O-ND1 3.01Å; S117-C126 VanDerWaalsContact OG-CB 3.22Å; S117-C126 WeakPolarHBondContact OG-CB 3.49Å
118	K	40.4	Very low	42.8	Very low	104 Å²	104	90.8 Å²	90.8	45%	0.452	46%	0.459	S	S	.	.	H	α-helix	trans	-59.5	-41.6	173.7	-80.7	-179.6	176.9	-167.2	0	111.3	L114 Q115 Y116 H121 G123	L114-K118 WeakPolarHBondContact O-CB 3.34Å; L114-K118 WeakPolarHBondContact O-CG 3Å; L114-K118 PolarHBondContact O-N 3.48Å; Q115-K118 WeakPolarHBondContact O-CB 3.47Å; Q115-K118 PolarHBondContact O-N 2.92Å; Y116-K118 PolarHBondContact O-N 2.89Å; K118-H121 PolarHBondContact O-N 3.13Å; K118-G123 VanDerWaalsContact O-CA 3.29Å; K118-G123 WeakPolarHBondContact O-CA 3.19Å; K118-G123 PolarHBondContact O-N 3.48Å
119	R	35.6	Very low	43.1	Very low	212 Å²	212	92.9 Å²	92.9	80%	0.8	47%	0.474	S	S	*	.	H	α-helix	trans	-64.5	-47.6	176.2	-73.6	-175.5	178.1	-173.7	-2.1	111.9	Q115 Y116 S117 H121 S122	Q115-R119 PolarHBondContact O-N 3.24Å; Y116-R119 WeakPolarHBondContact O-CB 3.21Å; Y116-R119 PolarHBondContact O-N 2.91Å; Y116-R119 VanDerWaalsContact O-N 3.17Å; S117-R119 VanDerWaalsContact C-N 3.3Å; S117-R119 PolarHBondContact O-N 2.9Å; R119-H121 PolarHBondContact O-N 3.39Å; R119-S122 PolarHBondContact O-N 3.36Å
120	L	32.3	Very low	43.4	Very low	113 Å²	113	95.5 Å²	95.5	59%	0.592	49%	0.487	S	S	*	.	H	α-helix	trans	-62.7	-28	177.1	-73.5	174.2	0	0	0	113.5	Y116 S117	Y116-L120 HydrophobicContact CD1-CD1 3.65Å; Y116-L120 HydrophobicContact CD1-CG 4.11Å; Y116-L120 HydrophobicContact CE1-CD1 3.57Å; Y116-L120 HydrophobicContact CE1-CD2 4.33Å; Y116-L120 HydrophobicContact CE1-CG 3.97Å; Y116-L120 WeakPolarHBondContact O-CG 3.35Å; Y116-L120 PolarHBondContact O-N 3.21Å; S117-L120 PolarHBondContact O-N 3.38Å
121	H	35.6	Very low	43	Very low	98 Å²	98	93.1 Å²	93.1	45%	0.454	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	32.5	-178.1	-62.4	68.4	0	0	0	112.3	S117 K118 R119 G123 R124	S117-H121 WeakPolarHBondContact O-CB 3.21Å; S117-H121 PolarHBondContact O-N 2.89Å; S117-H121 PolarHBondContact O-ND1 3.01Å; K118-H121 PolarHBondContact O-N 3.13Å; R119-H121 PolarHBondContact O-N 3.39Å; H121-G123 VanDerWaalsContact C-N 3.26Å; H121-G123 PolarHBondContact O-N 3.09Å; H121-R124 HydrophobicContact CB-CB 4.24Å; H121-R124 VanDerWaalsContact O-CB 3.24Å; H121-R124 WeakPolarHBondContact O-CB 3.22Å; H121-R124 WeakPolarHBondContact O-CG 3.39Å; H121-R124 PolarHBondContact O-N 2.94Å
122	S	44.1	Very low	43	Very low	118 Å²	118	93.8 Å²	93.8	83%	0.825	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	40.5	174.2	-43.6	0	0	0	0	113.3	R119 R124	R119-S122 PolarHBondContact O-N 3.36Å; S122-R124 VanDerWaalsContact C-N 3.27Å; S122-R124 PolarHBondContact O-N 3.29Å
123	G	41.5	Very low	43.4	Very low	56 Å²	56	97 Å²	97	58%	0.577	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-6.8	-177.6	0	0	0	0	0	114.8	K118 H121	K118-G123 VanDerWaalsContact O-CA 3.29Å; K118-G123 WeakPolarHBondContact O-CA 3.19Å; K118-G123 PolarHBondContact O-N 3.48Å; H121-G123 VanDerWaalsContact C-N 3.26Å; H121-G123 PolarHBondContact O-N 3.09Å
124	R	43.2	Very low	43.3	Very low	192 Å²	192	96 Å²	96	73%	0.725	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-69.3	127.9	177.2	-65	-174.8	179.2	-172.6	0.6	110	H121 S122 C126	H121-R124 HydrophobicContact CB-CB 4.24Å; H121-R124 VanDerWaalsContact O-CB 3.24Å; H121-R124 WeakPolarHBondContact O-CB 3.22Å; H121-R124 WeakPolarHBondContact O-CG 3.39Å; H121-R124 PolarHBondContact O-N 2.94Å; S122-R124 VanDerWaalsContact C-N 3.27Å; S122-R124 PolarHBondContact O-N 3.29Å; R124-C126 PolarHBondContact O-N 3.4Å; R124-C126 VanDerWaalsContact O-N 3.16Å
125	P	46	Very low	43.1	Very low	98 Å²	98	95 Å²	95	64%	0.636	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-63.7	118	176.4	24.1	-30.2	0	0	0	110	S127	P125-S127 PolarHBondContact O-N 3.02Å
126	C	45.9	Very low	43.2	Very low	31 Å²	31	92.1 Å²	92.1	21%	0.209	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-63.1	128.7	163.1	-162.4	0	0	0	0	107.8	S117 R124 S128	S117-C126 VanDerWaalsContact OG-CB 3.22Å; S117-C126 WeakPolarHBondContact OG-CB 3.49Å; R124-C126 PolarHBondContact O-N 3.4Å; R124-C126 VanDerWaalsContact O-N 3.16Å; C126-S128 PolarHBondContact O-N 2.93Å
127	S	54.3	Low	43.7	Very low	50 Å²	50	91.6 Å²	91.6	35%	0.35	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-55.7	141.2	-177.5	65.6	0	0	0	0	110.7	P125 S129 N130 A131	P125-S127 PolarHBondContact O-N 3.02Å; S127-S129 PolarHBondContact O-N 2.79Å; S127-S129 VanDerWaalsContact O-N 3.09Å; S127-S129 PolarHBondContact OG-OG 3.45Å; S127-N130 PolarHBondContact O-N 2.92Å; S127-N130 WeakPolarHBondContact OG-CB 3.31Å; S127-N130 VanDerWaalsContact OG-CG 3.22Å; S127-N130 PolarHBondContact OG-N 2.81Å; S127-N130 PolarHBondContact OG-ND2 2.86Å; S127-A131 PolarHBondContact O-N 2.86Å
128	S	53.2	Low	43.8	Very low	79 Å²	79	95.1 Å²	95.1	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-56.3	-29.7	179.5	65.1	0	0	0	0	112.1	R110 C126 R132	R110-S128 PolarHBondContact NH2-O 3.12Å; C126-S128 PolarHBondContact O-N 2.93Å; S128-R132 VanDerWaalsContact O-CB 3.3Å; S128-R132 WeakPolarHBondContact O-CB 3.42Å; S128-R132 PolarHBondContact O-N 3.06Å
129	S	56.7	Low	43.6	Very low	68 Å²	68	91.7 Å²	91.7	48%	0.476	49%	0.488	S	S	.	.	H	α-helix	trans	-66.5	-43.5	174.8	56.6	0	0	0	0	112.5	S127 R132 R133	S127-S129 PolarHBondContact O-N 2.79Å; S127-S129 VanDerWaalsContact O-N 3.09Å; S127-S129 PolarHBondContact OG-OG 3.45Å; S129-R132 PolarHBondContact O-N 3.28Å; S129-R133 VanDerWaalsContact O-CB 3.29Å; S129-R133 WeakPolarHBondContact O-CB 3.37Å; S129-R133 PolarHBondContact O-N 2.77Å
130	N	52.4	Low	43.9	Very low	82 Å²	82	88 Å²	88	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-43.1	176.4	-77	-12.5	0	0	0	111.8	S127 R132 R133 A134	S127-N130 PolarHBondContact O-N 2.92Å; S127-N130 WeakPolarHBondContact OG-CB 3.31Å; S127-N130 VanDerWaalsContact OG-CG 3.22Å; S127-N130 PolarHBondContact OG-N 2.81Å; S127-N130 PolarHBondContact OG-ND2 2.86Å; N130-R132 PolarHBondContact O-N 2.89Å; N130-R133 PolarHBondContact O-N 2.58Å; N130-A134 WeakPolarHBondContact O-CB 3.2Å; N130-A134 PolarHBondContact O-N 3.08Å
131	A	38.1	Very low	44	Very low	6 Å²	6	92 Å²	92	5%	0.05	49%	0.485	C	S	.	.	H	α-helix	trans	-65.7	-37.7	175	0	0	0	0	0	112.6	L114 S127 S135	L114-A131 HydrophobicContact CD2-CB 3.41Å; L114-A131 VanDerWaalsContact CD2-CB 3.41Å; L114-A131 HydrophobicContact CG-CB 3.96Å; S127-A131 PolarHBondContact O-N 2.86Å; A131-S135 WeakPolarHBondContact O-CB 3.34Å; A131-S135 PolarHBondContact O-N 3.28Å
132	R	47.5	Very low	43.8	Very low	164 Å²	164	88.5 Å²	88.5	62%	0.619	47%	0.473	S	S	*	.	H	α-helix	trans	-64.7	-43.1	174.7	-146.5	175.2	-115.4	171	-0.6	110.4	R110 S128 S129 N130 S135 A136	R110-R132 VanDerWaalsContact NH2-CB 3.26Å; R110-R132 VanDerWaalsContact NH2-NE 3.14Å; S128-R132 VanDerWaalsContact O-CB 3.3Å; S128-R132 WeakPolarHBondContact O-CB 3.42Å; S128-R132 PolarHBondContact O-N 3.06Å; S129-R132 PolarHBondContact O-N 3.28Å; N130-R132 PolarHBondContact O-N 2.89Å; R132-S135 PolarHBondContact O-N 2.72Å; R132-A136 WeakPolarHBondContact O-CB 3.33Å; R132-A136 PolarHBondContact O-N 2.82Å
133	R	50.8	Low	43.5	Very low	167 Å²	167	91 Å²	91	63%	0.63	46%	0.464	S	S	*	.	H	α-helix	trans	-67.6	-39.6	177.6	-164.8	-177	-80.2	175.5	-6.7	111.9	S129 N130 A136 K137	S129-R133 VanDerWaalsContact O-CB 3.29Å; S129-R133 WeakPolarHBondContact O-CB 3.37Å; S129-R133 PolarHBondContact O-N 2.77Å; N130-R133 PolarHBondContact O-N 2.58Å; R133-A136 PolarHBondContact O-N 2.6Å; R133-K137 WeakPolarHBondContact O-CB 3.48Å; R133-K137 WeakPolarHBondContact O-CG 3.4Å; R133-K137 PolarHBondContact O-N 3.37Å
134	A	38.3	Very low	43.3	Very low	43 Å²	43	93.7 Å²	93.7	36%	0.355	47%	0.465	S	S	.	.	H	α-helix	trans	-64.3	-46.4	174.3	0	0	0	0	0	111.5	M113 N130 K137 L138	M113-A134 HydrophobicContact CE-CB 4.04Å; N130-A134 WeakPolarHBondContact O-CB 3.2Å; N130-A134 PolarHBondContact O-N 3.08Å; A134-K137 PolarHBondContact O-N 3.16Å; A134-L138 WeakPolarHBondContact O-CB 3.32Å; A134-L138 PolarHBondContact O-N 2.9Å
135	S	36.6	Very low	42.7	Very low	24 Å²	24	93.5 Å²	93.5	17%	0.168	46%	0.464	C	S	.	.	H	α-helix	trans	-61.5	-43.6	174.6	179.6	0	0	0	0	111.9	A131 R132 K137 L138 V139	A131-S135 WeakPolarHBondContact O-CB 3.34Å; A131-S135 PolarHBondContact O-N 3.28Å; R132-S135 PolarHBondContact O-N 2.72Å; S135-K137 PolarHBondContact O-N 3.36Å; S135-L138 WeakPolarHBondContact O-CB 3.25Å; S135-L138 PolarHBondContact O-N 3.46Å; S135-V139 WeakPolarHBondContact O-CG2 3.32Å; S135-V139 PolarHBondContact O-N 2.75Å
136	A	45.7	Very low	41.9	Very low	61 Å²	61	93.8 Å²	93.8	50%	0.504	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-39.6	175.9	0	0	0	0	0	112.6	R132 R133 L138 V139 K140	R132-A136 WeakPolarHBondContact O-CB 3.33Å; R132-A136 PolarHBondContact O-N 2.82Å; R133-A136 PolarHBondContact O-N 2.6Å; A136-L138 VanDerWaalsContact C-N 3.33Å; A136-V139 PolarHBondContact O-N 3.22Å; A136-K140 WeakPolarHBondContact O-CB 3.38Å; A136-K140 PolarHBondContact O-N 3.28Å
137	K	45.7	Very low	41.1	Very low	139 Å²	139	103.7 Å²	103.7	60%	0.604	50%	0.502	S	S	*	.	H	α-helix	trans	-62.9	-39.5	172.7	-80	-175.8	178	-174.3	0	111.9	R133 A134 S135 K140 R141	R133-K137 WeakPolarHBondContact O-CB 3.48Å; R133-K137 WeakPolarHBondContact O-CG 3.4Å; R133-K137 PolarHBondContact O-N 3.37Å; A134-K137 PolarHBondContact O-N 3.16Å; S135-K137 PolarHBondContact O-N 3.36Å; K137-K140 PolarHBondContact O-N 2.85Å; K137-R141 WeakPolarHBondContact O-CB 3.25Å; K137-R141 WeakPolarHBondContact O-CG 3.26Å; K137-R141 PolarHBondContact O-N 3.16Å
138	L	35.5	Very low	39.9	Very low	92 Å²	92	105.7 Å²	105.7	48%	0.482	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-42	179.2	-143.8	145.9	0	0	0	111.1	A134 S135 A136 A142	A134-L138 WeakPolarHBondContact O-CB 3.32Å; A134-L138 PolarHBondContact O-N 2.9Å; S135-L138 WeakPolarHBondContact O-CB 3.25Å; S135-L138 PolarHBondContact O-N 3.46Å; A136-L138 VanDerWaalsContact C-N 3.33Å; L138-A142 WeakPolarHBondContact O-CB 3.47Å; L138-A142 PolarHBondContact O-N 2.76Å
139	V	35.8	Very low	38.5	Very low	32 Å²	32	105.3 Å²	105.3	19%	0.194	52%	0.52	C	S	.	.	H	α-helix	trans	-62.4	-45.1	171.6	173.1	0	0	0	0	111.3	F98 S135 A136 A142 R143	F98-V139 HydrophobicContact CD1-CG2 3.77Å; F98-V139 HydrophobicContact CE1-CG2 4.26Å; S135-V139 WeakPolarHBondContact O-CG2 3.32Å; S135-V139 PolarHBondContact O-N 2.75Å; A136-V139 PolarHBondContact O-N 3.22Å; V139-A142 PolarHBondContact O-N 3.23Å; V139-R143 PolarHBondContact O-N 3.41Å
140	K	43	Very low	37.1	Very low	135 Å²	135	106 Å²	106	59%	0.587	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-46.6	178.8	-168.4	178.7	177.3	-178.7	0	111.4	A136 K137 A142 R143 D144	A136-K140 WeakPolarHBondContact O-CB 3.38Å; A136-K140 PolarHBondContact O-N 3.28Å; K137-K140 PolarHBondContact O-N 2.85Å; K140-A142 VanDerWaalsContact C-N 3.28Å; K140-A142 PolarHBondContact O-N 2.77Å; K140-R143 WeakPolarHBondContact O-CB 3.3Å; K140-R143 PolarHBondContact O-N 3.48Å; K140-R143 VanDerWaalsContact O-N 3.08Å; K140-D144 WeakPolarHBondContact O-CB 3.34Å; K140-D144 PolarHBondContact O-N 2.86Å
141	R	34.4	Very low	35.7	Very low	198 Å²	198	106.5 Å²	106.5	75%	0.747	53%	0.534	S	S	*	.	H	α-helix	trans	-61.2	-34.6	174.6	-77.8	-176.3	177.4	-177	-1.7	113.2	K137 R145	K137-R141 WeakPolarHBondContact O-CB 3.25Å; K137-R141 WeakPolarHBondContact O-CG 3.26Å; K137-R141 PolarHBondContact O-N 3.16Å; R141-R145 PolarHBondContact O-N 3.23Å
142	A	31.6	Very low	35.2	Very low	24 Å²	24	108.4 Å²	108.4	20%	0.198	55%	0.55	C	S	.	.	H	α-helix	trans	-67.9	-36.3	174.4	0	0	0	0	0	112	L138 V139 K140	L138-A142 WeakPolarHBondContact O-CB 3.47Å; L138-A142 PolarHBondContact O-N 2.76Å; V139-A142 PolarHBondContact O-N 3.23Å; K140-A142 VanDerWaalsContact C-N 3.28Å; K140-A142 PolarHBondContact O-N 2.77Å
143	R	37.5	Very low	34.1	Very low	170 Å²	170	108.9 Å²	108.9	64%	0.642	56%	0.559	S	S	*	*	H	α-helix	trans	-72.8	-32.3	174.2	-73.7	-178.2	174.6	179.3	-0.4	113.6	D99 V139 K140 R145	D99-R143 IonicContact OD2-NE 3.63Å; V139-R143 PolarHBondContact O-N 3.41Å; K140-R143 WeakPolarHBondContact O-CB 3.3Å; K140-R143 PolarHBondContact O-N 3.48Å; K140-R143 VanDerWaalsContact O-N 3.08Å; R143-R145 VanDerWaalsContact C-N 3.31Å
144	D	36	Very low	32.8	Very low	113 Å²	113	107.3 Å²	107.3	60%	0.604	56%	0.563	S	S	*	*	H	α-helix	trans	-81.3	-8.6	-179.2	-64.7	-18.1	0	0	0	112.6	K140 S146	K140-D144 WeakPolarHBondContact O-CB 3.34Å; K140-D144 PolarHBondContact O-N 2.86Å; D144-S146 PolarHBondContact O-N 2.78Å
145	R	32.3	Very low	32.2	Very low	187 Å²	187	110.6 Å²	110.6	71%	0.706	58%	0.581	S	S	*	*	S	Bend	trans	-65.7	121.4	167.7	-87.7	-175.1	174.1	-178.7	-3.5	108.7	R141 R143 R147	R141-R145 PolarHBondContact O-N 3.23Å; R143-R145 VanDerWaalsContact C-N 3.31Å; R145-R147 PolarHBondContact O-N 2.82Å
146	S	29.2	Very low	31.8	Very low	105 Å²	105	114.7 Å²	114.7	73%	0.734	61%	0.609	S	S	*	*			trans	-45.7	124.7	170.8	26.9	0	0	0	0	109.4	D144 T148	D144-S146 PolarHBondContact O-N 2.78Å; S146-T148 VanDerWaalsContact C-N 3.31Å; S146-T148 PolarHBondContact O-N 2.67Å
147	R	28.8	Very low	30.9	Very low	239 Å²	239	120.7 Å²	120.7	90%	0.902	63%	0.629	S	S	*	*			trans	-54	87.6	-178.8	-70	175.8	171.6	-177.1	-3.7	110.9	R145 G149	R145-R147 PolarHBondContact O-N 2.82Å; R147-G149 PolarHBondContact O-N 3.4Å
148	T	28.8	Very low	30	Very low	92 Å²	92	117.7 Å²	117.7	56%	0.564	63%	0.626	S	S	*	*			trans	-78.3	80.5	155.6	45.3	0	0	0	0	106.1	S146 S150	S146-T148 VanDerWaalsContact C-N 3.31Å; S146-T148 PolarHBondContact O-N 2.67Å; T148-S150 VanDerWaalsContact C-N 3.31Å; T148-S150 PolarHBondContact O-N 2.98Å
149	G	24.7	Very low	29.6	Very low	70 Å²	70	123 Å²	123	72%	0.722	65%	0.648	S	S	*	*			trans	-66.4	90.7	173.1	0	0	0	0	0	109.3	R147 C151	R147-G149 PolarHBondContact O-N 3.4Å; G149-C151 PolarHBondContact O-N 2.95Å
150	S	26.8	Very low	29.3	Very low	84 Å²	84	124 Å²	124	59%	0.587	67%	0.665	S	S	*	*			trans	-90.8	89.2	167.3	-71.4	0	0	0	0	108.1	T148 A152	T148-S150 VanDerWaalsContact C-N 3.31Å; T148-S150 PolarHBondContact O-N 2.98Å; S150-A152 PolarHBondContact O-N 3.41Å
151	C	23.4	Very low	28.5	Very low	92 Å²	92	122 Å²	122	62%	0.622	67%	0.668	S	S	*	*			trans	-76	110.9	158.6	-61.6	0	0	0	0	106.1	G149 Q153	G149-C151 PolarHBondContact O-N 2.95Å; C151-Q153 PolarHBondContact O-N 3.29Å; C151-Q153 VanDerWaalsContact O-N 3.08Å
152	A	26.1	Very low	28.1	Very low	45 Å²	45	113.2 Å²	113.2	37%	0.372	64%	0.637	S	S	.	*			trans	-75.8	99.6	170.5	0	0	0	0	0	107.9	N38 I40 S150	N38-A152 CarbonylContact C-O 3.51Å; N38-A152 WeakPolarHBondContact O-CB 3.44Å; I40-A152 HydrophobicContact CG1-CB 4.37Å; S150-A152 PolarHBondContact O-N 3.41Å
153	Q	24.7	Very low	27.9	Very low	175 Å²	175	115.6 Å²	115.6	82%	0.818	65%	0.649	S	S	*	*			trans	-76	128	165.3	-73.2	-176.3	-19.1	0	0	107.8	C151 P155	C151-Q153 PolarHBondContact O-N 3.29Å; C151-Q153 VanDerWaalsContact O-N 3.08Å; Q153-P155 WeakPolarHBondContact O-CD 3.46Å
154	N	24.3	Very low	27.5	Very low	133 Å²	133	111.1 Å²	111.1	71%	0.711	64%	0.637	S	S	*	*			trans	-64.9	125.1	173.6	-110.2	-30.9	0	0	0	110.5	G39	G39-N154 PolarHBondContact O-OD1 2.91Å
155	P	26.1	Very low	27.2	Very low	113 Å²	113	109.9 Å²	109.9	73%	0.734	63%	0.631	S	S	*	*			trans	-113.8	129.8	154.6	7.3	17.3	0	0	0	109.4	Q153	Q153-P155 WeakPolarHBondContact O-CD 3.46Å
156	S	26.8	Very low	27.1	Very low	109 Å²	109	103.9 Å²	103.9	76%	0.762	61%	0.612	S	S	*	*			trans	-35.6	134.2	171.9	50.3	0	0	0	0	116.4
157	M	26.7	Very low	27	Very low	187 Å²	187	100 Å²	100	92%	0.921	58%	0.584	S	S	*	*			trans	40.9	108.1	135.6	-59.7	-79.4	-88.8	0	0	117.5
158	S	28	Very low	26.9	Very low	77 Å²	77	95.2 Å²	95.2	54%	0.538	58%	0.577	S	S	.	*			trans	-149.5	131.5	146.2	74.9	0	0	0	0	110.2	R63	R63-S158 PolarHBondContact NH2-OG 3.18Å
159	E	27.1	Very low	26.9	Very low	202 Å²	202	96.4 Å²	96.4	94%	0.944	58%	0.576	S	S	*	*	S	Bend	trans	-51.9	135.1	175.8	-65.1	170.2	155.9	0	0	111.5
160	G	29.8	Very low	26.9	Very low	54 Å²	54	97.3 Å²	97.3	56%	0.557	57%	0.567	S	S	*	*			trans	125.2	50.5	-175.2	0	0	0	0	0	113.7
161	S	25.8	Very low	26.8	Very low	93 Å²	93	98.2 Å²	98.2	65%	0.65	57%	0.574	S	S	*	*			trans	-75.7	125.5	176.9	50.8	0	0	0	0	111.4
162	S	26.2	Very low	26.8	Very low	14 Å²	14	102.9 Å²	102.9	10%	0.098	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103	102.6	178.6	-62.6	0	0	0	0	109.2	R63 Y198 Q202	R63-S162 PolarHBondContact O-N 3.49Å; S162-Y198 WeakPolarHBondContact CB-OH 3.48Å; S162-Q202 PolarHBondContact OG-NE2 3.22Å; S162-Q202 PolarHBondContact OG-OE1 2.81Å
163	V	27.3	Very low	26.8	Very low	73 Å²	73	109.7 Å²	109.7	44%	0.442	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.2	116.3	179.5	-173.5	0	0	0	0	108.9	D165	V163-D165 VanDerWaalsContact C-N 3.31Å; V163-D165 HydrophobicContact CG1-CB 3.95Å; V163-D165 PolarHBondContact O-N 3.41Å
164	I	29.1	Very low	26.8	Very low	77 Å²	77	107.2 Å²	107.2	40%	0.395	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.9	87.9	161.7	-61	168.8	0	0	0	106	F64 D65 L166	F64-I164 HydrophobicContact CD1-CD1 4.16Å; D65-I164 WeakPolarHBondContact O-CB 3.29Å; I164-L166 HydrophobicContact CG2-CD2 4.1Å; I164-L166 HydrophobicContact CG2-CG 4.07Å; I164-L166 PolarHBondContact O-N 2.79Å
165	D	28.5	Very low	26.8	Very low	87 Å²	87	108.2 Å²	108.2	47%	0.465	61%	0.611	S	S	.	*			trans	-82.8	97.9	177.7	-163.8	-4.3	0	0	0	110	V163 T167	V163-D165 VanDerWaalsContact C-N 3.31Å; V163-D165 HydrophobicContact CG1-CB 3.95Å; V163-D165 PolarHBondContact O-N 3.41Å; D165-T167 PolarHBondContact O-N 2.76Å; D165-T167 WeakPolarHBondContact OD1-CA 3.42Å; D165-T167 WeakPolarHBondContact OD1-CB 3.44Å; D165-T167 VanDerWaalsContact OD1-CG2 3.28Å; D165-T167 WeakPolarHBondContact OD1-CG2 3.39Å; D165-T167 PolarHBondContact OD1-N 2.77Å; D165-T167 PolarHBondContact OD1-OG1 3.35Å; D165-T167 PolarHBondContact OD2-OG1 2.99Å
166	L	30	Very low	26.8	Very low	61 Å²	61	106.3 Å²	106.3	32%	0.319	59%	0.594	S	S	.	*			trans	-86	14.7	170.1	-59.4	175.5	0	0	0	111.8	I164 N168	I164-L166 HydrophobicContact CG2-CD2 4.1Å; I164-L166 HydrophobicContact CG2-CG 4.07Å; I164-L166 PolarHBondContact O-N 2.79Å; L166-N168 VanDerWaalsContact C-N 3.26Å; L166-N168 PolarHBondContact O-N 3.18Å
167	T	28.1	Very low	26.7	Very low	24 Å²	24	109 Å²	109	15%	0.147	60%	0.599	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	6.8	-176.6	68.4	0	0	0	0	115.5	K56 A67 D165	K56-T167 HydrophobicContact CD-CG2 3.87Å; K56-T167 HydrophobicContact CG-CG2 4.39Å; K56-T167 VanDerWaalsContact NZ-CB 3.3Å; K56-T167 PolarHBondContact NZ-OG1 2.91Å; A67-T167 HydrophobicContact CB-CG2 4.39Å; D165-T167 PolarHBondContact O-N 2.76Å; D165-T167 WeakPolarHBondContact OD1-CA 3.42Å; D165-T167 WeakPolarHBondContact OD1-CB 3.44Å; D165-T167 VanDerWaalsContact OD1-CG2 3.28Å; D165-T167 WeakPolarHBondContact OD1-CG2 3.39Å; D165-T167 PolarHBondContact OD1-N 2.77Å; D165-T167 PolarHBondContact OD1-OG1 3.35Å; D165-T167 PolarHBondContact OD2-OG1 2.99Å
168	N	27.5	Very low	26.7	Very low	138 Å²	138	105.3 Å²	105.3	74%	0.738	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	24.7	168.5	-75.8	-1.9	0	0	0	114	L166 T170	L166-N168 VanDerWaalsContact C-N 3.26Å; L166-N168 PolarHBondContact O-N 3.18Å; N168-T170 PolarHBondContact O-N 2.84Å
169	E	28.1	Very low	26.6	Very low	117 Å²	117	107 Å²	107	55%	0.547	59%	0.587	S	S	.	*			trans	-68.7	34.6	167	-76.8	-177	171.6	0	0	113.4
170	T	25	Very low	26.6	Very low	89 Å²	89	103.9 Å²	103.9	55%	0.546	58%	0.577	S	S	.	*	S	Bend	trans	-135.8	125.8	168	53.8	0	0	0	0	107.4	N168	N168-T170 PolarHBondContact O-N 2.84Å
171	S	24.8	Very low	26.6	Very low	103 Å²	103	107.8 Å²	107.8	72%	0.72	59%	0.585	S	S	*	*	S	Bend	trans	71.7	105.3	168.9	70.2	0	0	0	0	119.5
172	Q	23.5	Very low	26.9	Very low	189 Å²	189	108.3 Å²	108.3	88%	0.883	58%	0.576	S	S	*	*				88.2	-5.2	125.3	-72.2	-173.4	-22.3	0	0	124.3
173	E	24.9	Very low	27.1	Very low	188 Å²	188	113.7 Å²	113.7	88%	0.879	60%	0.603	S	S	*	*			trans	-126.3	108.6	-174	-65.2	-174.3	170.6	0	0	115.1
174	V	25.5	Very low	27.3	Very low	123 Å²	123	119 Å²	119	75%	0.745	62%	0.62	S	S	*	*			trans	-70.6	142.8	171.5	171.7	0	0	0	0	110.5
175	I	24.8	Very low	27.4	Very low	154 Å²	154	117.1 Å²	117.1	79%	0.79	62%	0.616	S	S	*	*			trans	-121.3	129.9	158.6	-60.6	179.6	0	0	0	109.9	R238	I175-R238 PolarHBondContact O-NE 2.91Å
176	D	25.3	Very low	27.6	Very low	73 Å²	73	118.6 Å²	118.6	39%	0.39	62%	0.619	S	S	.	*			trans	-105	135.9	177.9	-162.5	-25.2	0	0	0	110.7	R238	D176-R238 VanDerWaalsContact CA-NE 3.31Å; D176-R238 IonicContact OD1-CZ 2.7Å; D176-R238 IonicContact OD1-NE 2.7Å; D176-R238 IonicContact OD1-NH1 3.19Å; D176-R238 PolarHBondContact OD1-NH1 2.94Å; D176-R238 IonicContact OD1-NH2 2.99Å; D176-R238 IonicContact OD2-CZ 3.42Å; D176-R238 IonicContact OD2-NH1 3.05Å; D176-R238 PolarHBondContact OD2-NH1 3.05Å; D176-R238 IonicContact OD2-NH2 3.74Å; D176-R238 PolarHBondContact OD2-NH2 3.24Å
177	L	25.6	Very low	27.7	Very low	165 Å²	165	120.7 Å²	120.7	86%	0.864	64%	0.639	S	S	*	*			trans	-155.3	129.2	136.4	-70.7	-172.8	0	0	0	111.1
178	T	25.8	Very low	27.7	Very low	111 Å²	111	129.6 Å²	129.6	68%	0.681	67%	0.67	S	S	*	*			trans	-72	146.7	-176.6	48.2	0	0	0	0	114.2
179	E	25.4	Very low	27.7	Very low	112 Å²	112	127.1 Å²	127.1	52%	0.523	66%	0.656	S	S	.	*				44.9	124	88.2	-80.7	176.5	-161.6	0	0	112.7	H239	E179-H239 WeakPolarHBondContact OE1-CB 3.21Å; E179-H239 IonicContact OE1-CD2 3.05Å; E179-H239 IonicContact OE1-CE1 3.39Å; E179-H239 PolarHBondContact OE1-CE1 3.45Å; E179-H239 IonicContact OE1-CG 2.73Å; E179-H239 IonicContact OE1-ND1 3.45Å; E179-H239 PolarHBondContact OE1-ND1 3.04Å
180	D	27.5	Very low	28	Very low	136 Å²	136	126.2 Å²	126.2	73%	0.727	66%	0.66	S	S	*	*	S	Bend	cis	-156.3	119.3	30.4	-78.3	-51.4	0	0	0	110.2
181	D	30.9	Very low	28.3	Very low	136 Å²	136	125 Å²	125	73%	0.727	65%	0.654	S	S	*	*	S	Bend	trans	172.9	3.2	160.2	-108.9	-22.2	0	0	0	112.3	D183 K184	D181-D183 VanDerWaalsContact C-N 3.29Å; D181-D183 PolarHBondContact O-N 2.92Å; D181-K184 PolarHBondContact O-N 3.27Å
182	F	31	Very low	28.7	Very low	105 Å²	105	124 Å²	124	46%	0.461	63%	0.634	S	S	.	*	H	α-helix	trans	-59.7	-30.9	-173.4	-165.1	-102.7	0	0	0	114.6	K186 Y232	F182-K186 HydrophobicContact CD1-CD 4.46Å; F182-K186 HydrophobicContact CE1-CD 4.1Å; F182-K186 HydrophobicContact CE1-CG 4.39Å; F182-K186 PolarHBondContact O-N 2.92Å; F182-Y232 WeakPolarHBondContact CE2-OH 2.79Å; F182-Y232 HydrophobicContact CZ-CE1 4.38Å; F182-Y232 AromaticContact CZ-CZ 3.93Å; F182-Y232 WeakPolarHBondContact CZ-OH 3.32Å
183	D	31.6	Very low	29.2	Very low	126 Å²	126	117.8 Å²	117.8	67%	0.674	61%	0.606	S	S	*	*	H	α-helix	trans	-85.9	-13.5	-172.8	-74.4	-35.2	0	0	0	114.8	D181 K186	D181-D183 VanDerWaalsContact C-N 3.29Å; D181-D183 PolarHBondContact O-N 2.92Å; D183-K186 IonicContact OD1-NZ 2.6Å; D183-K186 PolarHBondContact OD1-NZ 2.76Å
184	K	31.3	Very low	29.5	Very low	184 Å²	184	112.7 Å²	112.7	80%	0.8	59%	0.585	S	S	*	*	H	α-helix	trans	-95.3	-16.7	170.1	-81.7	178.7	177.6	172.7	0	113.5	D181	D181-K184 PolarHBondContact O-N 3.27Å
185	A	31.2	Very low	29.8	Very low	38 Å²	38	113.7 Å²	113.7	31%	0.314	58%	0.581	S	S	.	*	H	α-helix	trans	-83.4	-25.7	175.5	0	0	0	0	0	113.6	S187 R188 W192	A185-S187 VanDerWaalsContact C-N 3.31Å; A185-S187 PolarHBondContact O-N 3.44Å; A185-R188 PolarHBondContact O-N 3.23Å; A185-W192 HydrophobicContact CB-CH2 3.87Å; A185-W192 HydrophobicContact CB-CZ3 4.34Å; A185-W192 VanDerWaalsContact O-CH2 3.31Å; A185-W192 WeakPolarHBondContact O-CH2 3.32Å; A185-W192 WeakPolarHBondContact O-CZ2 3.35Å
186	K	31.4	Very low	30.3	Very low	118 Å²	118	108.4 Å²	108.4	51%	0.513	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-62.2	-24.6	-174.3	-135.9	172.4	-173.2	166.2	0	116.1	F182 D183 L189	F182-K186 HydrophobicContact CD1-CD 4.46Å; F182-K186 HydrophobicContact CE1-CD 4.1Å; F182-K186 HydrophobicContact CE1-CG 4.39Å; F182-K186 PolarHBondContact O-N 2.92Å; D183-K186 IonicContact OD1-NZ 2.6Å; D183-K186 PolarHBondContact OD1-NZ 2.76Å; K186-L189 HydrophobicContact CG-CD1 4.48Å
187	S	32	Very low	30.8	Very low	106 Å²	106	109.5 Å²	109.5	74%	0.741	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-91.5	-1.2	-173.5	58	0	0	0	0	114.2	A185	A185-S187 VanDerWaalsContact C-N 3.31Å; A185-S187 PolarHBondContact O-N 3.44Å
188	R	28	Very low	31.2	Very low	211 Å²	211	106.3 Å²	106.3	80%	0.796	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-118.1	13	175	-64.4	-176.7	173.3	-176.6	-2.1	114	A185 P190 W192	A185-R188 PolarHBondContact O-N 3.23Å; R188-P190 WeakPolarHBondContact O-CD 3.49Å; R188-W192 PolarHBondContact O-NE1 2.77Å
189	L	28.5	Very low	31.5	Very low	85 Å²	85	103.4 Å²	103.4	45%	0.445	53%	0.526	S	S	.	.			trans	-39.7	79.3	159.1	23.2	79.5	0	0	0	120.9	K186 W192	K186-L189 HydrophobicContact CG-CD1 4.48Å; L189-W192 HydrophobicContact CB-CD2 4.23Å; L189-W192 VanDerWaalsContact CB-CE2 3.49Å; L189-W192 HydrophobicContact CB-CG 4.31Å; L189-W192 HydrophobicContact CB-CZ2 3.93Å; L189-W192 HydrophobicContact CD1-CZ2 4.35Å; L189-W192 HydrophobicContact CD2-CB 4.45Å; L189-W192 HydrophobicContact CD2-CD2 3.02Å; L189-W192 HydrophobicContact CD2-CE3 3.42Å; L189-W192 VanDerWaalsContact CD2-CE3 3.42Å; L189-W192 HydrophobicContact CD2-CG 3.47Å; L189-W192 VanDerWaalsContact CD2-CG 3.47Å; L189-W192 HydrophobicContact CD2-CH2 3.79Å; L189-W192 HydrophobicContact CD2-CZ2 3.49Å; L189-W192 VanDerWaalsContact CD2-CZ2 3.49Å; L189-W192 HydrophobicContact CD2-CZ3 3.76Å; L189-W192 HydrophobicContact CG-CD2 3.72Å; L189-W192 HydrophobicContact CG-CE3 4.3Å; L189-W192 HydrophobicContact CG-CG 4.25Å; L189-W192 HydrophobicContact CG-CH2 3.82Å; L189-W192 HydrophobicContact CG-CZ2 3.21Å; L189-W192 HydrophobicContact CG-CZ3 4.32Å
190	P	34.3	Very low	31.9	Very low	99 Å²	99	101 Å²	101	64%	0.643	52%	0.52	S	S	*	.	S	Bend		-140	165.9	126.8	37.3	-26.7	0	0	0	111.5	R188	R188-P190 WeakPolarHBondContact O-CD 3.49Å
191	P	31.3	Very low	32.4	Very low	63 Å²	63	105 Å²	105	41%	0.409	53%	0.525	S	S	.	.	S	Bend		-72.6	94.6	-87.8	20.3	1.5	0	0	0	112.7	F214	P191-F214 HydrophobicContact CB-CD1 3.72Å; P191-F214 HydrophobicContact CB-CE1 3.67Å; P191-F214 HydrophobicContact CG-CD1 4.21Å
192	W	33.1	Very low	32.6	Very low	83 Å²	83	101.7 Å²	101.7	31%	0.314	51%	0.506	S	S	.	.			trans	-116.2	54	174.4	34.1	-60.5	0	0	0	112.1	A185 R188 L189 L194	A185-W192 HydrophobicContact CB-CH2 3.87Å; A185-W192 HydrophobicContact CB-CZ3 4.34Å; A185-W192 VanDerWaalsContact O-CH2 3.31Å; A185-W192 WeakPolarHBondContact O-CH2 3.32Å; A185-W192 WeakPolarHBondContact O-CZ2 3.35Å; R188-W192 PolarHBondContact O-NE1 2.77Å; L189-W192 HydrophobicContact CB-CD2 4.23Å; L189-W192 VanDerWaalsContact CB-CE2 3.49Å; L189-W192 HydrophobicContact CB-CG 4.31Å; L189-W192 HydrophobicContact CB-CZ2 3.93Å; L189-W192 HydrophobicContact CD1-CZ2 4.35Å; L189-W192 HydrophobicContact CD2-CB 4.45Å; L189-W192 HydrophobicContact CD2-CD2 3.02Å; L189-W192 HydrophobicContact CD2-CE3 3.42Å; L189-W192 VanDerWaalsContact CD2-CE3 3.42Å; L189-W192 HydrophobicContact CD2-CG 3.47Å; L189-W192 VanDerWaalsContact CD2-CG 3.47Å; L189-W192 HydrophobicContact CD2-CH2 3.79Å; L189-W192 HydrophobicContact CD2-CZ2 3.49Å; L189-W192 VanDerWaalsContact CD2-CZ2 3.49Å; L189-W192 HydrophobicContact CD2-CZ3 3.76Å; L189-W192 HydrophobicContact CG-CD2 3.72Å; L189-W192 HydrophobicContact CG-CE3 4.3Å; L189-W192 HydrophobicContact CG-CG 4.25Å; L189-W192 HydrophobicContact CG-CH2 3.82Å; L189-W192 HydrophobicContact CG-CZ2 3.21Å; L189-W192 HydrophobicContact CG-CZ3 4.32Å; W192-L194 HydrophobicContact CB-CB 3.6Å; W192-L194 HydrophobicContact CB-CD1 3.57Å; W192-L194 HydrophobicContact CB-CG 4.08Å; W192-L194 PolarHBondContact O-N 2.88Å
193	I	33.8	Very low	32.6	Very low	58 Å²	58	101.5 Å²	101.5	30%	0.297	50%	0.503	S	S	.	.			trans	-52.4	-3.1	144.3	-76.5	161.8	0	0	0	111.9	H195 L199 F214 M225 I228	I193-H195 PolarHBondContact O-N 2.85Å; I193-L199 HydrophobicContact CG2-CD1 3.37Å; I193-F214 HydrophobicContact CB-CE2 4.26Å; I193-F214 HydrophobicContact CB-CZ 3.95Å; I193-F214 HydrophobicContact CD1-CE1 4.44Å; I193-F214 HydrophobicContact CD1-CZ 3.72Å; I193-F214 HydrophobicContact CG1-CZ 4.4Å; I193-F214 HydrophobicContact CG2-CE2 4.08Å; I193-F214 HydrophobicContact CG2-CZ 4.16Å; I193-M225 HydrophobicContact CD1-CE 3.56Å; I193-M225 HydrophobicContact CD1-SD 4.28Å; I193-I228 HydrophobicContact CD1-CG2 4.47Å
194	L	30.5	Very low	32.8	Very low	80 Å²	80	100.7 Å²	100.7	42%	0.419	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44	3.8	167.6	-88.1	155.4	0	0	0	120.3	W192 I205	W192-L194 HydrophobicContact CB-CB 3.6Å; W192-L194 HydrophobicContact CB-CD1 3.57Å; W192-L194 HydrophobicContact CB-CG 4.08Å; W192-L194 PolarHBondContact O-N 2.88Å; L194-I205 HydrophobicContact CD2-CD1 3.41Å; L194-I205 VanDerWaalsContact CD2-CD1 3.41Å; L194-I205 HydrophobicContact CG-CD1 4.42Å
195	H	33.4	Very low	33.1	Very low	145 Å²	145	96.5 Å²	96.5	67%	0.671	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	18	179.1	-61.4	-53.2	0	0	0	116.2	I193 P197	I193-H195 PolarHBondContact O-N 2.85Å; H195-P197 VanDerWaalsContact O-CD 3.3Å; H195-P197 WeakPolarHBondContact O-CD 3.24Å
196	S	35.4	Very low	33.3	Very low	42 Å²	42	97.3 Å²	97.3	29%	0.294	49%	0.493	S	S	.	.			trans	-68	122.6	164.7	168.9	0	0	0	0	109.4	Y198 L199 C200	S196-Y198 PolarHBondContact O-N 3.37Å; S196-Y198 VanDerWaalsContact OG-CB 3.27Å; S196-Y198 WeakPolarHBondContact OG-CB 3.24Å; S196-Y198 PolarHBondContact OG-N 2.75Å; S196-L199 PolarHBondContact O-N 2.86Å; S196-L199 PolarHBondContact OG-N 2.95Å; S196-C200 PolarHBondContact O-N 3.18Å
197	P	34.6	Very low	33.6	Very low	97 Å²	97	97 Å²	97	63%	0.63	51%	0.513	S	S	*	.	H	α-helix	trans	-55.5	-26.4	172.6	-22.3	32.3	0	0	0	111.9	H195 R201	H195-P197 VanDerWaalsContact O-CD 3.3Å; H195-P197 WeakPolarHBondContact O-CD 3.24Å; P197-R201 WeakPolarHBondContact O-CB 3.37Å; P197-R201 WeakPolarHBondContact O-CG 3.3Å; P197-R201 PolarHBondContact O-N 3.41Å
198	Y	33.6	Very low	33.9	Very low	98 Å²	98	100.6 Å²	100.6	38%	0.384	52%	0.518	S	S	.	.	H	α-helix	trans	-73.4	-42.6	175.1	-169.2	-95.7	0	0	0	112.1	S162 S196 Q202	S162-Y198 WeakPolarHBondContact CB-OH 3.48Å; S196-Y198 PolarHBondContact O-N 3.37Å; S196-Y198 VanDerWaalsContact OG-CB 3.27Å; S196-Y198 WeakPolarHBondContact OG-CB 3.24Å; S196-Y198 PolarHBondContact OG-N 2.75Å; Y198-Q202 VanDerWaalsContact CE1-CD 3.47Å; Y198-Q202 WeakPolarHBondContact O-CB 3.29Å; Y198-Q202 VanDerWaalsContact O-CG 3.32Å; Y198-Q202 WeakPolarHBondContact O-CG 3.47Å; Y198-Q202 PolarHBondContact O-N 3.29Å; Y198-Q202 PolarHBondContact OH-NE2 3.17Å
199	L	32.2	Very low	34.3	Very low	50 Å²	50	97.5 Å²	97.5	26%	0.262	51%	0.512	S	S	.	.	H	α-helix	trans	-74.9	-35.3	177.9	-67.4	171.6	0	0	0	112.5	I193 S196 R201 Q202 Y203	I193-L199 HydrophobicContact CG2-CD1 3.37Å; S196-L199 PolarHBondContact O-N 2.86Å; S196-L199 PolarHBondContact OG-N 2.95Å; L199-R201 VanDerWaalsContact C-N 3.32Å; L199-R201 PolarHBondContact O-N 3.42Å; L199-Q202 PolarHBondContact O-N 2.98Å; L199-Y203 HydrophobicContact CD2-CD2 4.49Å; L199-Y203 WeakPolarHBondContact O-CA 3.24Å; L199-Y203 WeakPolarHBondContact O-CB 3.42Å; L199-Y203 PolarHBondContact O-N 3.27Å
200	C	35.2	Very low	34.7	Very low	60 Å²	60	97.4 Å²	97.4	41%	0.405	52%	0.518	S	S	.	.	H	α-helix	trans	-70.1	-27.4	174.4	-64.4	0	0	0	0	112.9	S196	S196-C200 PolarHBondContact O-N 3.18Å
201	R	37.6	Very low	34.9	Very low	221 Å²	221	97 Å²	97	83%	0.834	52%	0.518	S	S	*	.	H	α-helix	trans	-79.1	-29.8	172.3	-78.9	178.2	-174.1	179.8	3.1	113.2	P197 L199	P197-R201 WeakPolarHBondContact O-CB 3.37Å; P197-R201 WeakPolarHBondContact O-CG 3.3Å; P197-R201 PolarHBondContact O-N 3.41Å; L199-R201 VanDerWaalsContact C-N 3.32Å; L199-R201 PolarHBondContact O-N 3.42Å
202	Q	34.1	Very low	35.1	Very low	67 Å²	67	96.2 Å²	96.2	31%	0.313	52%	0.517	S	S	.	.	H	α-helix	trans	-91.6	-22.9	-179.6	-73.5	-169.9	-16.5	0	0	114	S162 Y198 L199	S162-Q202 PolarHBondContact OG-NE2 3.22Å; S162-Q202 PolarHBondContact OG-OE1 2.81Å; Y198-Q202 VanDerWaalsContact CE1-CD 3.47Å; Y198-Q202 WeakPolarHBondContact O-CB 3.29Å; Y198-Q202 VanDerWaalsContact O-CG 3.32Å; Y198-Q202 WeakPolarHBondContact O-CG 3.47Å; Y198-Q202 PolarHBondContact O-N 3.29Å; Y198-Q202 PolarHBondContact OH-NE2 3.17Å; L199-Q202 PolarHBondContact O-N 2.98Å
203	Y	32.5	Very low	35.1	Very low	101 Å²	101	94.7 Å²	94.7	40%	0.396	53%	0.527	S	S	.	.	S	Bend	trans	-137.6	85.2	178.4	-65.2	-87	0	0	0	107.7	R63 L199 I205	R63-Y203 PolarHBondContact NH1-OH 2.82Å; L199-Y203 HydrophobicContact CD2-CD2 4.49Å; L199-Y203 WeakPolarHBondContact O-CA 3.24Å; L199-Y203 WeakPolarHBondContact O-CB 3.42Å; L199-Y203 PolarHBondContact O-N 3.27Å; Y203-I205 VanDerWaalsContact C-N 3.25Å; Y203-I205 PolarHBondContact O-N 3.47Å
204	P	35.2	Very low	35.2	Very low	109 Å²	109	94.8 Å²	94.8	71%	0.708	53%	0.525	S	S	*	.			trans	-63.6	95.8	169.6	26.2	-30.9	0	0	0	106.9	S206	P204-S206 VanDerWaalsContact C-N 3.32Å; P204-S206 PolarHBondContact O-N 3.31Å
205	I	38.2	Very low	35.6	Very low	96 Å²	96	93 Å²	93	49%	0.492	52%	0.518	S	S	.	.			trans	-66.3	101.3	172.3	-57.6	168.4	0	0	0	104.1	L194 Y203 A207	L194-I205 HydrophobicContact CD2-CD1 3.41Å; L194-I205 VanDerWaalsContact CD2-CD1 3.41Å; L194-I205 HydrophobicContact CG-CD1 4.42Å; Y203-I205 VanDerWaalsContact C-N 3.25Å; Y203-I205 PolarHBondContact O-N 3.47Å; I205-A207 PolarHBondContact O-N 2.88Å
206	S	34.4	Very low	35.8	Very low	54 Å²	54	90 Å²	90	38%	0.378	51%	0.507	S	S	.	.			trans	-56	139.9	164.9	66.8	0	0	0	0	106.4	P204 E208 Q209	P204-S206 VanDerWaalsContact C-N 3.32Å; P204-S206 PolarHBondContact O-N 3.31Å; S206-E208 PolarHBondContact O-N 2.87Å; S206-Q209 PolarHBondContact O-N 2.75Å
207	A	38.2	Very low	35.9	Very low	113 Å²	113	91.1 Å²	91.1	93%	0.934	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-0.3	-177	0	0	0	0	0	114.4	I205	I205-A207 PolarHBondContact O-N 2.88Å
208	E	38.6	Very low	35.9	Very low	181 Å²	181	88 Å²	88	85%	0.846	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-5.6	-176.5	-62.6	179.2	164.4	0	0	113.7	S206 S210	S206-E208 PolarHBondContact O-N 2.87Å; E208-S210 PolarHBondContact O-N 3.34Å
209	Q	36.9	Very low	36.1	Very low	145 Å²	145	91.7 Å²	91.7	68%	0.678	50%	0.5	S	S	*	.			trans	-96.2	95.9	179.7	-73.4	-173.8	7.1	0	0	112.3	S206	S206-Q209 PolarHBondContact O-N 2.75Å
210	S	35.6	Very low	36.3	Very low	83 Å²	83	96.9 Å²	96.9	58%	0.58	52%	0.523	S	S	*	.			trans	-48.5	158.2	179.2	68.2	0	0	0	0	115.8	E208 A212 G213	E208-S210 PolarHBondContact O-N 3.34Å; S210-A212 PolarHBondContact O-N 3.4Å; S210-G213 PolarHBondContact O-N 3.25Å
211	S	39.4	Very low	36.6	Very low	92 Å²	92	95.2 Å²	95.2	64%	0.643	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-16.2	172.5	60.7	0	0	0	0	116	G213 T215	S211-G213 PolarHBondContact O-N 3.37Å; S211-T215 WeakPolarHBondContact O-CB 3.45Å; S211-T215 PolarHBondContact O-N 2.91Å; S211-T215 PolarHBondContact O-OG1 3.34Å
212	A	35.2	Very low	36.7	Very low	46 Å²	46	91.7 Å²	91.7	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-61.8	-38.1	177.8	0	0	0	0	0	113.7	S210 T215 N216	S210-A212 PolarHBondContact O-N 3.4Å; A212-T215 PolarHBondContact O-N 3.04Å; A212-N216 PolarHBondContact O-N 3.39Å
213	G	33.9	Very low	36.9	Very low	51 Å²	51	89.9 Å²	89.9	53%	0.526	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-46	-177.4	0	0	0	0	0	113.2	S210 S211 N216 F217	S210-G213 PolarHBondContact O-N 3.25Å; S211-G213 PolarHBondContact O-N 3.37Å; G213-N216 PolarHBondContact O-N 2.95Å; G213-F217 PolarHBondContact O-N 2.98Å; G213-F217 VanDerWaalsContact O-N 3.09Å
214	F	35.5	Very low	37.3	Very low	59 Å²	59	85.4 Å²	85.4	26%	0.259	47%	0.473	S	S	.	.	H	α-helix	trans	-70.6	-33.2	175.9	-172.7	-93.2	0	0	0	112.5	P191 I193 N216 F217 S218 M225	P191-F214 HydrophobicContact CB-CD1 3.72Å; P191-F214 HydrophobicContact CB-CE1 3.67Å; P191-F214 HydrophobicContact CG-CD1 4.21Å; I193-F214 HydrophobicContact CB-CE2 4.26Å; I193-F214 HydrophobicContact CB-CZ 3.95Å; I193-F214 HydrophobicContact CD1-CE1 4.44Å; I193-F214 HydrophobicContact CD1-CZ 3.72Å; I193-F214 HydrophobicContact CG1-CZ 4.4Å; I193-F214 HydrophobicContact CG2-CE2 4.08Å; I193-F214 HydrophobicContact CG2-CZ 4.16Å; F214-N216 VanDerWaalsContact C-N 3.3Å; F214-N216 PolarHBondContact O-N 2.91Å; F214-F217 PolarHBondContact O-N 3.02Å; F214-S218 WeakPolarHBondContact O-CB 3.47Å; F214-S218 PolarHBondContact O-N 2.7Å; F214-S218 PolarHBondContact O-OG 3.42Å; F214-M225 HydrophobicContact CE1-CE 4.26Å; F214-M225 HydrophobicContact CZ-CE 4.01Å; F214-M225 HydrophobicContact CZ-SD 3.94Å
215	T	39.1	Very low	37.6	Very low	43 Å²	43	82.3 Å²	82.3	26%	0.264	45%	0.45	S	S	.	.	H	α-helix	trans	-64.4	-37.3	174.5	-53	0	0	0	0	111.2	S211 A212 S218 R219	S211-T215 WeakPolarHBondContact O-CB 3.45Å; S211-T215 PolarHBondContact O-N 2.91Å; S211-T215 PolarHBondContact O-OG1 3.34Å; A212-T215 PolarHBondContact O-N 3.04Å; T215-S218 WeakPolarHBondContact CA-OG 3.49Å; T215-S218 PolarHBondContact O-OG 3.48Å; T215-S218 VanDerWaalsContact O-OG 3.11Å; T215-R219 WeakPolarHBondContact O-CB 3.03Å; T215-R219 WeakPolarHBondContact O-CD 3.11Å; T215-R219 WeakPolarHBondContact O-CG 3.45Å; T215-R219 PolarHBondContact O-N 2.81Å; T215-R219 VanDerWaalsContact O-N 3.1Å
216	N	36.4	Very low	37.7	Very low	82 Å²	82	82.1 Å²	82.1	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-68.9	-42.9	173.7	-74.9	-17.8	0	0	0	111.9	A212 G213 F214 R219 Q220	A212-N216 PolarHBondContact O-N 3.39Å; G213-N216 PolarHBondContact O-N 2.95Å; F214-N216 VanDerWaalsContact C-N 3.3Å; F214-N216 PolarHBondContact O-N 2.91Å; N216-R219 PolarHBondContact O-N 3.48Å; N216-Q220 WeakPolarHBondContact O-CB 3.38Å; N216-Q220 WeakPolarHBondContact O-CG 3.45Å; N216-Q220 PolarHBondContact O-N 3.06Å
217	F	37.5	Very low	38	Very low	66 Å²	66	81 Å²	81	29%	0.289	44%	0.436	S	S	.	.	H	α-helix	trans	-62	-47.7	175.6	178.7	-100.7	0	0	0	112.7	F64 G213 F214 R219 Q220 D221	F64-F217 HydrophobicContact CE2-CZ 4.42Å; G213-F217 PolarHBondContact O-N 2.98Å; G213-F217 VanDerWaalsContact O-N 3.09Å; F214-F217 PolarHBondContact O-N 3.02Å; F217-R219 VanDerWaalsContact C-N 3.25Å; F217-R219 PolarHBondContact O-N 3.35Å; F217-Q220 CarbonylContact O-C 3.49Å; F217-Q220 PolarHBondContact O-N 2.8Å; F217-D221 HydrophobicContact CE2-CB 4.23Å; F217-D221 HydrophobicContact CZ-CB 4.2Å; F217-D221 PolarHBondContact O-N 2.92Å
218	S	35.8	Very low	38.3	Very low	31 Å²	31	78.8 Å²	78.8	22%	0.217	41%	0.408	C	S	.	.	H	α-helix	trans	-66.3	-25	177.9	55	0	0	0	0	113.6	F214 T215	F214-S218 WeakPolarHBondContact O-CB 3.47Å; F214-S218 PolarHBondContact O-N 2.7Å; F214-S218 PolarHBondContact O-OG 3.42Å; T215-S218 WeakPolarHBondContact CA-OG 3.49Å; T215-S218 PolarHBondContact O-OG 3.48Å; T215-S218 VanDerWaalsContact O-OG 3.11Å
219	R	37.6	Very low	38.4	Very low	175 Å²	175	72.3 Å²	72.3	66%	0.66	39%	0.386	S	S	*	.	H	α-helix	trans	-75.5	-34.6	168.7	-76	173.2	-179.5	179.9	0.7	112.4	T215 N216 F217	T215-R219 WeakPolarHBondContact O-CB 3.03Å; T215-R219 WeakPolarHBondContact O-CD 3.11Å; T215-R219 WeakPolarHBondContact O-CG 3.45Å; T215-R219 PolarHBondContact O-N 2.81Å; T215-R219 VanDerWaalsContact O-N 3.1Å; N216-R219 PolarHBondContact O-N 3.48Å; F217-R219 VanDerWaalsContact C-N 3.25Å; F217-R219 PolarHBondContact O-N 3.35Å
220	Q	35.5	Very low	38.7	Very low	159 Å²	159	68.8 Å²	68.8	74%	0.743	37%	0.368	S	S	*	.	H	α-helix	trans	-79.5	-35.6	-178.6	-74.4	169.2	0.8	0	0	112.9	N216 F217	N216-Q220 WeakPolarHBondContact O-CB 3.38Å; N216-Q220 WeakPolarHBondContact O-CG 3.45Å; N216-Q220 PolarHBondContact O-N 3.06Å; F217-Q220 CarbonylContact O-C 3.49Å; F217-Q220 PolarHBondContact O-N 2.8Å
221	D	41.9	Very low	39.3	Very low	25 Å²	25	68 Å²	68	13%	0.134	35%	0.353	C	S	.	.			trans	-128.3	61.5	-172.4	-153.4	-20.1	0	0	0	112	F217 L223 A224 M225	F217-D221 HydrophobicContact CE2-CB 4.23Å; F217-D221 HydrophobicContact CZ-CB 4.2Å; F217-D221 PolarHBondContact O-N 2.92Å; D221-L223 PolarHBondContact O-N 2.79Å; D221-A224 HydrophobicContact CB-CB 4.09Å; D221-A224 VanDerWaalsContact CG-CB 3.43Å; D221-A224 PolarHBondContact O-N 3.3Å; D221-A224 WeakPolarHBondContact OD1-CB 3.47Å; D221-A224 PolarHBondContact OD1-N 2.88Å; D221-A224 VanDerWaalsContact OD1-N 3.12Å; D221-M225 PolarHBondContact O-N 2.51Å; D221-M225 VanDerWaalsContact O-N 3.17Å
222	R	39.8	Very low	39.6	Very low	147 Å²	147	70.9 Å²	70.9	56%	0.555	35%	0.351	S	S	*	.	H	α-helix	trans	-55.4	-33.9	175.6	-76.3	-175.9	169.6	179.1	-2.5	112.5	M225 E226	R222-M225 PolarHBondContact O-N 2.86Å; R222-E226 WeakPolarHBondContact O-CG 3.32Å; R222-E226 PolarHBondContact O-N 3.18Å
223	L	38.2	Very low	40	Very low	30 Å²	30	76 Å²	76	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-53.2	178.5	-178.4	61.3	0	0	0	110.1	V61 L93 A95 D221 M225 E226 I227	V61-L223 HydrophobicContact CG1-CD2 4.44Å; L93-L223 HydrophobicContact CB-CD1 3.71Å; L93-L223 WeakPolarHBondContact O-CD1 3.34Å; A95-L223 HydrophobicContact CB-CD1 4.03Å; A95-L223 HydrophobicContact CB-CD2 4.12Å; D221-L223 PolarHBondContact O-N 2.79Å; L223-M225 VanDerWaalsContact C-N 3.26Å; L223-M225 PolarHBondContact O-N 3.46Å; L223-E226 PolarHBondContact O-N 3.38Å; L223-E226 VanDerWaalsContact O-N 3.07Å; L223-I227 WeakPolarHBondContact O-CG1 3.37Å; L223-I227 PolarHBondContact O-N 3.21Å
224	A	40.5	Very low	40.4	Very low	7 Å²	7	74.8 Å²	74.8	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-54.2	-42	175.5	0	0	0	0	0	112.3	D221 I227 I228	D221-A224 HydrophobicContact CB-CB 4.09Å; D221-A224 VanDerWaalsContact CG-CB 3.43Å; D221-A224 PolarHBondContact O-N 3.3Å; D221-A224 WeakPolarHBondContact OD1-CB 3.47Å; D221-A224 PolarHBondContact OD1-N 2.88Å; D221-A224 VanDerWaalsContact OD1-N 3.12Å; A224-I227 WeakPolarHBondContact O-CB 3.47Å; A224-I227 PolarHBondContact O-N 2.81Å; A224-I228 WeakPolarHBondContact O-CD1 3.47Å; A224-I228 VanDerWaalsContact O-CG1 3.25Å; A224-I228 WeakPolarHBondContact O-CG1 3.09Å; A224-I228 PolarHBondContact O-N 3.28Å
225	M	41.7	Very low	41	Very low	43 Å²	43	75.4 Å²	75.4	21%	0.212	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-39.2	176.7	-68.7	-62.7	-60	0	0	112.9	I193 F214 D221 R222 L223 I228 A229	I193-M225 HydrophobicContact CD1-CE 3.56Å; I193-M225 HydrophobicContact CD1-SD 4.28Å; F214-M225 HydrophobicContact CE1-CE 4.26Å; F214-M225 HydrophobicContact CZ-CE 4.01Å; F214-M225 HydrophobicContact CZ-SD 3.94Å; D221-M225 PolarHBondContact O-N 2.51Å; D221-M225 VanDerWaalsContact O-N 3.17Å; R222-M225 PolarHBondContact O-N 2.86Å; L223-M225 VanDerWaalsContact C-N 3.26Å; L223-M225 PolarHBondContact O-N 3.46Å; M225-I228 PolarHBondContact O-N 3.44Å; M225-A229 VanDerWaalsContact O-CB 3.32Å; M225-A229 WeakPolarHBondContact O-CB 3.37Å; M225-A229 PolarHBondContact O-N 2.92Å
226	E	39.4	Very low	41.4	Very low	93 Å²	93	73.8 Å²	73.8	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-37.1	174.2	-75.8	-178.6	-169.3	0	0	112	R222 L223 F230	R222-E226 WeakPolarHBondContact O-CG 3.32Å; R222-E226 PolarHBondContact O-N 3.18Å; L223-E226 PolarHBondContact O-N 3.38Å; L223-E226 VanDerWaalsContact O-N 3.07Å; E226-F230 VanDerWaalsContact O-CB 3.25Å; E226-F230 WeakPolarHBondContact O-CB 3.47Å; E226-F230 PolarHBondContact O-N 3.14Å
227	I	41.5	Very low	42.1	Very low	30 Å²	30	72.4 Å²	72.4	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-54.8	170.8	-46.7	-157.9	0	0	0	109.3	I66 L93 L223 A224 A229 F230 Y231	I66-I227 HydrophobicContact CD1-CD1 3.92Å; L93-I227 HydrophobicContact CB-CG1 4.41Å; L93-I227 HydrophobicContact CD1-CD1 3.38Å; L93-I227 HydrophobicContact CD1-CG1 3.96Å; L93-I227 HydrophobicContact CD2-CB 3.65Å; L93-I227 HydrophobicContact CD2-CD1 3.67Å; L93-I227 HydrophobicContact CD2-CG1 3.28Å; L93-I227 HydrophobicContact CD2-CG2 3.69Å; L93-I227 HydrophobicContact CG-CD1 3.99Å; L93-I227 HydrophobicContact CG-CG1 3.99Å; L223-I227 WeakPolarHBondContact O-CG1 3.37Å; L223-I227 PolarHBondContact O-N 3.21Å; A224-I227 WeakPolarHBondContact O-CB 3.47Å; A224-I227 PolarHBondContact O-N 2.81Å; I227-A229 VanDerWaalsContact C-N 3.34Å; I227-A229 PolarHBondContact O-N 3.35Å; I227-F230 PolarHBondContact O-N 2.93Å; I227-Y231 HydrophobicContact CG2-CD2 3.6Å; I227-Y231 HydrophobicContact CG2-CE2 3.65Å; I227-Y231 VanDerWaalsContact O-CD2 3.26Å; I227-Y231 WeakPolarHBondContact O-CD2 3.28Å; I227-Y231 PolarHBondContact O-N 3.42Å
228	I	44.3	Very low	42.6	Very low	66 Å²	66	72.6 Å²	72.6	34%	0.338	34%	0.343	S	S	.	.	H	α-helix	trans	-60.6	-44.9	-176.1	-67.8	163.6	0	0	0	110.7	I193 A224 M225 Y231 Y232	I193-I228 HydrophobicContact CD1-CG2 4.47Å; A224-I228 WeakPolarHBondContact O-CD1 3.47Å; A224-I228 VanDerWaalsContact O-CG1 3.25Å; A224-I228 WeakPolarHBondContact O-CG1 3.09Å; A224-I228 PolarHBondContact O-N 3.28Å; M225-I228 PolarHBondContact O-N 3.44Å; I228-Y231 PolarHBondContact O-N 3.15Å; I228-Y232 WeakPolarHBondContact O-CB 3.42Å; I228-Y232 PolarHBondContact O-N 2.75Å
229	A	41.1	Very low	43.4	Very low	46 Å²	46	74.3 Å²	74.3	38%	0.38	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-42.8	177.8	0	0	0	0	0	112.5	M225 I227 Y232 Q233	M225-A229 VanDerWaalsContact O-CB 3.32Å; M225-A229 WeakPolarHBondContact O-CB 3.37Å; M225-A229 PolarHBondContact O-N 2.92Å; I227-A229 VanDerWaalsContact C-N 3.34Å; I227-A229 PolarHBondContact O-N 3.35Å; A229-Y232 PolarHBondContact O-N 3.29Å; A229-Q233 WeakPolarHBondContact O-CG 3.18Å; A229-Q233 PolarHBondContact O-N 3.48Å
230	F	43.7	Very low	44.5	Very low	70 Å²	70	67.7 Å²	67.7	31%	0.307	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-45.3	175.8	173.4	-95.2	0	0	0	111.5	A92 E226 I227 Q233 S234	A92-F230 HydrophobicContact CB-CZ 4.43Å; E226-F230 VanDerWaalsContact O-CB 3.25Å; E226-F230 WeakPolarHBondContact O-CB 3.47Å; E226-F230 PolarHBondContact O-N 3.14Å; I227-F230 PolarHBondContact O-N 2.93Å; F230-Q233 PolarHBondContact O-N 3.41Å; F230-S234 WeakPolarHBondContact CE2-OG 3.13Å; F230-S234 WeakPolarHBondContact CZ-OG 3.25Å; F230-S234 WeakPolarHBondContact O-CB 3.49Å; F230-S234 PolarHBondContact O-N 2.97Å; F230-S234 PolarHBondContact O-OG 3.11Å
231	Y	47.6	Very low	45.5	Very low	66 Å²	66	62 Å²	62	26%	0.259	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-41	177.8	-88.7	-82.7	0	0	0	111.4	R89 I227 I228 Q233 S234 V235	R89-Y231 PolarHBondContact NH1-OH 2.92Å; I227-Y231 HydrophobicContact CG2-CD2 3.6Å; I227-Y231 HydrophobicContact CG2-CE2 3.65Å; I227-Y231 VanDerWaalsContact O-CD2 3.26Å; I227-Y231 WeakPolarHBondContact O-CD2 3.28Å; I227-Y231 PolarHBondContact O-N 3.42Å; I228-Y231 PolarHBondContact O-N 3.15Å; Y231-Q233 VanDerWaalsContact C-N 3.33Å; Y231-Q233 PolarHBondContact O-N 3.25Å; Y231-S234 PolarHBondContact O-N 3.05Å; Y231-V235 HydrophobicContact CD1-CG2 4.4Å; Y231-V235 VanDerWaalsContact O-CB 3.29Å; Y231-V235 WeakPolarHBondContact O-CB 3.07Å; Y231-V235 WeakPolarHBondContact O-CG2 3.29Å; Y231-V235 PolarHBondContact O-N 3.14Å
232	Y	45.9	Very low	46.2	Very low	154 Å²	154	63.1 Å²	63.1	60%	0.604	30%	0.303	S	S	*	.	H	α-helix	trans	-63.9	-36.7	177.5	-161.7	-94.8	0	0	0	113.1	F182 I228 A229	F182-Y232 WeakPolarHBondContact CE2-OH 2.79Å; F182-Y232 HydrophobicContact CZ-CE1 4.38Å; F182-Y232 AromaticContact CZ-CZ 3.93Å; F182-Y232 WeakPolarHBondContact CZ-OH 3.32Å; I228-Y232 WeakPolarHBondContact O-CB 3.42Å; I228-Y232 PolarHBondContact O-N 2.75Å; A229-Y232 PolarHBondContact O-N 3.29Å
233	Q	42.1	Very low	47.2	Very low	152 Å²	152	60.4 Å²	60.4	71%	0.71	30%	0.297	S	S	*	.	H	α-helix	trans	-80.8	-26.8	177.9	-69.3	177.6	1.8	0	0	113.8	A229 F230 Y231	A229-Q233 WeakPolarHBondContact O-CG 3.18Å; A229-Q233 PolarHBondContact O-N 3.48Å; F230-Q233 PolarHBondContact O-N 3.41Å; Y231-Q233 VanDerWaalsContact C-N 3.33Å; Y231-Q233 PolarHBondContact O-N 3.25Å
234	S	44.1	Very low	48.4	Very low	27 Å²	27	60.2 Å²	60.2	19%	0.189	30%	0.295	C	S	.	.	H	α-helix	trans	-100	-5.7	-172.9	-54.2	0	0	0	0	113.6	F230 Y231 L275 G276	F230-S234 WeakPolarHBondContact CE2-OG 3.13Å; F230-S234 WeakPolarHBondContact CZ-OG 3.25Å; F230-S234 WeakPolarHBondContact O-CB 3.49Å; F230-S234 PolarHBondContact O-N 2.97Å; F230-S234 PolarHBondContact O-OG 3.11Å; Y231-S234 PolarHBondContact O-N 3.05Å; S234-L275 CarbonylContact O-C 3.48Å; S234-L275 VanDerWaalsContact O-CA 3.25Å; S234-L275 WeakPolarHBondContact O-CA 3.33Å; S234-L275 WeakPolarHBondContact O-CD2 3.39Å; S234-G276 CarbonylContact C-O 3.48Å; S234-G276 PolarHBondContact O-N 3.29Å
235	V	46.4	Very low	49.6	Very low	72 Å²	72	63.5 Å²	63.5	44%	0.436	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-92.4	126.6	175.2	171.2	0	0	0	0	108.5	Y231 L275 G276	Y231-V235 HydrophobicContact CD1-CG2 4.4Å; Y231-V235 VanDerWaalsContact O-CB 3.29Å; Y231-V235 WeakPolarHBondContact O-CB 3.07Å; Y231-V235 WeakPolarHBondContact O-CG2 3.29Å; Y231-V235 PolarHBondContact O-N 3.14Å; V235-L275 HydrophobicContact CG2-CD2 4.1Å; V235-G276 CarbonylContact C-O 3.59Å
236	Q	48.8	Very low	50.8	Low	8 Å²	8	68.9 Å²	68.9	4%	0.037	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-65.8	136.6	178	-65.7	-176.1	32.1	0	0	109.1	R238 K244 S271 G274 L275 G276	Q236-R238 PolarHBondContact O-N 3.03Å; Q236-K244 VanDerWaalsContact CD-NZ 3.34Å; Q236-S271 PolarHBondContact NE2-OG 3.21Å; Q236-S271 VanDerWaalsContact NE2-OG 3.12Å; Q236-G274 PolarHBondContact N-O 3.07Å; Q236-G274 VanDerWaalsContact N-O 3.14Å; Q236-L275 PolarHBondContact NE2-O 3.23Å; Q236-G276 WeakPolarHBondContact CA-O 3.48Å; Q236-G276 VanDerWaalsContact CG-CA 3.47Å; Q236-G276 WeakPolarHBondContact CG-O 3.47Å; Q236-G276 PolarHBondContact N-O 2.96Å; Q236-G276 VanDerWaalsContact N-O 3.15Å
237	P	51	Low	52.4	Low	54 Å²	54	68.8 Å²	68.8	35%	0.351	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-52.4	136.3	166.8	-24.6	33.7	0	0	0	109.8	H239 K240 L241	P237-H239 VanDerWaalsContact C-N 3.3Å; P237-H239 WeakPolarHBondContact CB-CE1 3.3Å; P237-H239 PolarHBondContact O-N 2.8Å; P237-K240 HydrophobicContact CB-CG 4.4Å; P237-K240 WeakPolarHBondContact O-CA 3.32Å; P237-K240 WeakPolarHBondContact O-CB 3.31Å; P237-K240 PolarHBondContact O-N 3.38Å; P237-L241 PolarHBondContact O-N 3.12Å; P237-L241 VanDerWaalsContact O-N 3.13Å
238	R	47.6	Very low	53.7	Low	70 Å²	70	67.9 Å²	67.9	26%	0.264	33%	0.33	S	S	.	.	H	α-helix	trans	-58	-41.4	-171.1	-176.4	168.5	175.7	-81.5	1.8	113.1	I175 D176 Q236 K240 L241 I242	I175-R238 PolarHBondContact O-NE 2.91Å; D176-R238 VanDerWaalsContact CA-NE 3.31Å; D176-R238 IonicContact OD1-CZ 2.7Å; D176-R238 IonicContact OD1-NE 2.7Å; D176-R238 IonicContact OD1-NH1 3.19Å; D176-R238 PolarHBondContact OD1-NH1 2.94Å; D176-R238 IonicContact OD1-NH2 2.99Å; D176-R238 IonicContact OD2-CZ 3.42Å; D176-R238 IonicContact OD2-NH1 3.05Å; D176-R238 PolarHBondContact OD2-NH1 3.05Å; D176-R238 IonicContact OD2-NH2 3.74Å; D176-R238 PolarHBondContact OD2-NH2 3.24Å; Q236-R238 PolarHBondContact O-N 3.03Å; R238-K240 PolarHBondContact O-N 3.24Å; R238-L241 PolarHBondContact O-N 2.88Å; R238-I242 HydrophobicContact CG-CD1 3.95Å; R238-I242 HydrophobicContact CG-CG1 4.45Å; R238-I242 VanDerWaalsContact NH1-CD1 3.3Å; R238-I242 WeakPolarHBondContact O-CG1 3.27Å; R238-I242 PolarHBondContact O-N 2.82Å
239	H	53.2	Low	54.9	Low	66 Å²	66	70 Å²	70	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-58.2	-37.4	175.5	63.8	-100.9	0	0	0	112	E179 P237 I242 E243	E179-H239 WeakPolarHBondContact OE1-CB 3.21Å; E179-H239 IonicContact OE1-CD2 3.05Å; E179-H239 IonicContact OE1-CE1 3.39Å; E179-H239 PolarHBondContact OE1-CE1 3.45Å; E179-H239 IonicContact OE1-CG 2.73Å; E179-H239 IonicContact OE1-ND1 3.45Å; E179-H239 PolarHBondContact OE1-ND1 3.04Å; P237-H239 VanDerWaalsContact C-N 3.3Å; P237-H239 WeakPolarHBondContact CB-CE1 3.3Å; P237-H239 PolarHBondContact O-N 2.8Å; H239-I242 PolarHBondContact O-N 3.29Å; H239-E243 WeakPolarHBondContact O-CB 3.47Å; H239-E243 WeakPolarHBondContact O-CG 3.39Å; H239-E243 PolarHBondContact O-N 3.01Å
240	K	59.9	Low	56.6	Low	37 Å²	37	75.8 Å²	75.8	16%	0.161	35%	0.352	C	S	.	.	H	α-helix	trans	-69.9	-39.1	176.5	-68.8	-63.6	156.5	-155.5	0	112.7	P237 R238 I242 E243 K244 Q278	P237-K240 HydrophobicContact CB-CG 4.4Å; P237-K240 WeakPolarHBondContact O-CA 3.32Å; P237-K240 WeakPolarHBondContact O-CB 3.31Å; P237-K240 PolarHBondContact O-N 3.38Å; R238-K240 PolarHBondContact O-N 3.24Å; K240-I242 VanDerWaalsContact C-N 3.33Å; K240-E243 WeakPolarHBondContact CD-OE2 3.42Å; K240-E243 VanDerWaalsContact NZ-CD 3.3Å; K240-E243 IonicContact NZ-OE1 3.23Å; K240-E243 PolarHBondContact NZ-OE1 3.43Å; K240-E243 IonicContact NZ-OE2 3.22Å; K240-E243 PolarHBondContact NZ-OE2 2.9Å; K240-E243 PolarHBondContact O-N 2.66Å; K240-K244 VanDerWaalsContact O-CG 3.28Å; K240-K244 WeakPolarHBondContact O-CG 3.36Å; K240-K244 PolarHBondContact O-N 3.05Å; K240-K244 VanDerWaalsContact O-N 3.08Å; K240-Q278 HydrophobicContact CD-CG 3.86Å; K240-Q278 HydrophobicContact CG-CB 4.31Å; K240-Q278 HydrophobicContact CG-CG 3.97Å
241	L	57.6	Low	58.2	Low	39 Å²	39	76 Å²	76	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-43.8	173.4	-177.4	60.6	0	0	0	110.4	P237 R238 K244 L245	P237-L241 PolarHBondContact O-N 3.12Å; P237-L241 VanDerWaalsContact O-N 3.13Å; R238-L241 PolarHBondContact O-N 2.88Å; L241-K244 PolarHBondContact O-N 2.73Å; L241-L245 HydrophobicContact CD1-CD1 4.4Å; L241-L245 HydrophobicContact CD1-CG 4.37Å; L241-L245 HydrophobicContact CG-CD1 4.12Å; L241-L245 HydrophobicContact CG-CG 4.48Å; L241-L245 VanDerWaalsContact O-CG 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.16Å; L241-L245 PolarHBondContact O-N 3.43Å
242	I	55.2	Low	59.3	Low	48 Å²	48	75.6 Å²	75.6	25%	0.246	36%	0.356	C	S	.	.	H	α-helix	trans	-62.5	-45.7	177	-70.1	170.7	0	0	0	111.7	R238 H239 K240 K244 L245 R246	R238-I242 HydrophobicContact CG-CD1 3.95Å; R238-I242 HydrophobicContact CG-CG1 4.45Å; R238-I242 VanDerWaalsContact NH1-CD1 3.3Å; R238-I242 WeakPolarHBondContact O-CG1 3.27Å; R238-I242 PolarHBondContact O-N 2.82Å; H239-I242 PolarHBondContact O-N 3.29Å; K240-I242 VanDerWaalsContact C-N 3.33Å; I242-K244 VanDerWaalsContact C-N 3.29Å; I242-K244 PolarHBondContact O-N 3.21Å; I242-L245 PolarHBondContact O-N 3.38Å; I242-R246 HydrophobicContact CG2-CG 4.31Å; I242-R246 WeakPolarHBondContact O-CB 3.09Å; I242-R246 WeakPolarHBondContact O-CG 3.36Å; I242-R246 PolarHBondContact O-N 3.27Å
243	E	62.1	Low	60.7	Low	90 Å²	90	70.7 Å²	70.7	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-54.3	-47.2	174.5	-79.6	174.4	-166.3	0	0	111.1	H239 K240 R246 V247	H239-E243 WeakPolarHBondContact O-CB 3.47Å; H239-E243 WeakPolarHBondContact O-CG 3.39Å; H239-E243 PolarHBondContact O-N 3.01Å; K240-E243 WeakPolarHBondContact CD-OE2 3.42Å; K240-E243 VanDerWaalsContact NZ-CD 3.3Å; K240-E243 IonicContact NZ-OE1 3.23Å; K240-E243 PolarHBondContact NZ-OE1 3.43Å; K240-E243 IonicContact NZ-OE2 3.22Å; K240-E243 PolarHBondContact NZ-OE2 2.9Å; K240-E243 PolarHBondContact O-N 2.66Å; E243-R246 PolarHBondContact O-N 3.12Å; E243-V247 WeakPolarHBondContact O-CG2 3.48Å; E243-V247 PolarHBondContact O-N 3.35Å; E243-V247 VanDerWaalsContact O-N 3.09Å
244	K	63	Low	62.6	Low	26 Å²	26	71.3 Å²	71.3	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-44.6	178.1	-68.7	172.1	-169.4	-179.9	0	112	Q236 K240 L241 I242 R246 V247 V248 S277 C280 I282	Q236-K244 VanDerWaalsContact CD-NZ 3.34Å; K240-K244 VanDerWaalsContact O-CG 3.28Å; K240-K244 WeakPolarHBondContact O-CG 3.36Å; K240-K244 PolarHBondContact O-N 3.05Å; K240-K244 VanDerWaalsContact O-N 3.08Å; L241-K244 PolarHBondContact O-N 2.73Å; I242-K244 VanDerWaalsContact C-N 3.29Å; I242-K244 PolarHBondContact O-N 3.21Å; K244-R246 VanDerWaalsContact C-N 3.33Å; K244-R246 PolarHBondContact O-N 3.08Å; K244-V247 WeakPolarHBondContact O-CB 3.42Å; K244-V247 PolarHBondContact O-N 3.31Å; K244-V247 VanDerWaalsContact O-N 3.17Å; K244-V248 WeakPolarHBondContact O-CG2 3.31Å; K244-V248 PolarHBondContact O-N 2.7Å; K244-V248 VanDerWaalsContact O-N 3.07Å; K244-S277 PolarHBondContact NZ-O 3.46Å; K244-C280 WeakPolarHBondContact CE-O 3.44Å; K244-C280 PolarHBondContact NZ-O 2.95Å; K244-I282 HydrophobicContact CB-CB 4.41Å; K244-I282 HydrophobicContact CB-CD1 3.86Å
245	L	65.5	Low	63.9	Low	77 Å²	77	72 Å²	72	40%	0.403	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-33.6	178	-67.6	176.8	0	0	0	112.5	L241 I242 V247 V248 H249 V267 I282	L241-L245 HydrophobicContact CD1-CD1 4.4Å; L241-L245 HydrophobicContact CD1-CG 4.37Å; L241-L245 HydrophobicContact CG-CD1 4.12Å; L241-L245 HydrophobicContact CG-CG 4.48Å; L241-L245 VanDerWaalsContact O-CG 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.16Å; L241-L245 PolarHBondContact O-N 3.43Å; I242-L245 PolarHBondContact O-N 3.38Å; L245-V247 VanDerWaalsContact C-N 3.34Å; L245-V248 WeakPolarHBondContact O-CB 3.22Å; L245-V248 PolarHBondContact O-N 3.24Å; L245-H249 PolarHBondContact O-N 3.18Å; L245-V267 HydrophobicContact CD2-CG2 3.95Å; L245-I282 HydrophobicContact CD2-CD1 4.4Å
246	R	68.1	Low	65.1	Low	156 Å²	156	76 Å²	76	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-61.9	-42.2	171	-75.5	176	179.2	173	1.1	111.3	I242 E243 K244 V248 H249 Y250	I242-R246 HydrophobicContact CG2-CG 4.31Å; I242-R246 WeakPolarHBondContact O-CB 3.09Å; I242-R246 WeakPolarHBondContact O-CG 3.36Å; I242-R246 PolarHBondContact O-N 3.27Å; E243-R246 PolarHBondContact O-N 3.12Å; K244-R246 VanDerWaalsContact C-N 3.33Å; K244-R246 PolarHBondContact O-N 3.08Å; R246-V248 VanDerWaalsContact C-N 3.31Å; R246-V248 PolarHBondContact O-N 2.91Å; R246-H249 PolarHBondContact O-N 3.13Å; R246-Y250 HydrophobicContact CB-CE2 4.39Å; R246-Y250 WeakPolarHBondContact O-CD2 3.28Å; R246-Y250 PolarHBondContact O-N 3.5Å
247	V	71.4	Confident	66.5	Low	91 Å²	91	85.2 Å²	85.2	55%	0.552	38%	0.382	S	S	*	.	H	α-helix	trans	-60.7	-41.3	174.6	174.2	0	0	0	0	111.3	E243 K244 L245 Y250 L251	E243-V247 WeakPolarHBondContact O-CG2 3.48Å; E243-V247 PolarHBondContact O-N 3.35Å; E243-V247 VanDerWaalsContact O-N 3.09Å; K244-V247 WeakPolarHBondContact O-CB 3.42Å; K244-V247 PolarHBondContact O-N 3.31Å; K244-V247 VanDerWaalsContact O-N 3.17Å; L245-V247 VanDerWaalsContact C-N 3.34Å; V247-Y250 PolarHBondContact O-N 2.93Å; V247-L251 PolarHBondContact O-N 3.42Å
248	V	69.2	Low	67.8	Low	11 Å²	11	87 Å²	87	7%	0.067	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-44.9	174.9	178.7	0	0	0	0	111.5	K244 L245 R246 Y250 L251 E252 I265 V267 I282 L284	K244-V248 WeakPolarHBondContact O-CG2 3.31Å; K244-V248 PolarHBondContact O-N 2.7Å; K244-V248 VanDerWaalsContact O-N 3.07Å; L245-V248 WeakPolarHBondContact O-CB 3.22Å; L245-V248 PolarHBondContact O-N 3.24Å; R246-V248 VanDerWaalsContact C-N 3.31Å; R246-V248 PolarHBondContact O-N 2.91Å; V248-Y250 PolarHBondContact O-N 3.36Å; V248-L251 PolarHBondContact O-N 2.91Å; V248-E252 WeakPolarHBondContact O-CB 3.45Å; V248-E252 PolarHBondContact O-N 2.7Å; V248-I265 HydrophobicContact CG1-CB 4.33Å; V248-I265 HydrophobicContact CG1-CG2 3.82Å; V248-V267 HydrophobicContact CG1-CG2 4.17Å; V248-V267 HydrophobicContact CG2-CG2 4.12Å; V248-I282 HydrophobicContact CG2-CD1 3.48Å; V248-I282 VanDerWaalsContact CG2-CD1 3.48Å; V248-I282 HydrophobicContact CG2-CG1 4.31Å; V248-L284 HydrophobicContact CB-CD2 4.46Å; V248-L284 HydrophobicContact CG1-CD2 4.15Å; V248-L284 HydrophobicContact CG2-CD1 4.3Å; V248-L284 HydrophobicContact CG2-CD2 3.47Å; V248-L284 VanDerWaalsContact CG2-CD2 3.47Å
249	H	69.2	Low	68.8	Low	111 Å²	111	89.9 Å²	89.9	51%	0.514	41%	0.413	S	S	.	.	H	α-helix	trans	-63.7	-38.3	178.2	-177	64	0	0	0	112.8	L245 R246 E252 T253	L245-H249 PolarHBondContact O-N 3.18Å; R246-H249 PolarHBondContact O-N 3.13Å; H249-E252 PolarHBondContact O-N 2.73Å; H249-T253 WeakPolarHBondContact O-CB 3.37Å; H249-T253 PolarHBondContact O-N 2.84Å; H249-T253 PolarHBondContact O-OG1 3.26Å
250	Y	77.6	Confident	69.8	Low	167 Å²	167	91.1 Å²	91.1	66%	0.655	43%	0.429	S	S	*	.	H	α-helix	trans	-63.8	-41.6	173.4	-73.2	-53.7	0	0	0	112.1	R246 V247 V248 T253 Y254	R246-Y250 HydrophobicContact CB-CE2 4.39Å; R246-Y250 WeakPolarHBondContact O-CD2 3.28Å; R246-Y250 PolarHBondContact O-N 3.5Å; V247-Y250 PolarHBondContact O-N 2.93Å; V248-Y250 PolarHBondContact O-N 3.36Å; Y250-T253 PolarHBondContact O-N 2.8Å; Y250-Y254 WeakPolarHBondContact O-CB 3.43Å; Y250-Y254 PolarHBondContact O-N 2.6Å
251	L	77	Confident	70.1	Confident	74 Å²	74	92.2 Å²	92.2	39%	0.387	44%	0.436	S	S	.	.	H	α-helix	trans	-65.2	-42.3	176.7	-175	62.8	0	0	0	111.5	V247 V248 Y254 M255 I265 L284	V247-L251 PolarHBondContact O-N 3.42Å; V248-L251 PolarHBondContact O-N 2.91Å; L251-Y254 WeakPolarHBondContact O-CB 3.42Å; L251-Y254 PolarHBondContact O-N 3.05Å; L251-M255 WeakPolarHBondContact O-CG 3.48Å; L251-M255 PolarHBondContact O-N 3.43Å; L251-I265 HydrophobicContact CB-CD1 3.82Å; L251-I265 HydrophobicContact CD2-CD1 3.73Å; L251-I265 HydrophobicContact CG-CD1 3.51Å; L251-L284 HydrophobicContact CD2-CD1 3.69Å
252	E	70.4	Confident	70.5	Confident	57 Å²	57	100.1 Å²	100.1	27%	0.266	47%	0.469	S	S	.	.	H	α-helix	trans	-61	-49.3	175.7	-178.3	171.3	-144.7	0	0	110.6	V248 H249 Y254 M255 W256 I265	V248-E252 WeakPolarHBondContact O-CB 3.45Å; V248-E252 PolarHBondContact O-N 2.7Å; H249-E252 PolarHBondContact O-N 2.73Å; E252-Y254 VanDerWaalsContact C-N 3.27Å; E252-Y254 PolarHBondContact O-N 3.09Å; E252-M255 WeakPolarHBondContact O-CB 3.34Å; E252-M255 PolarHBondContact O-N 2.87Å; E252-W256 PolarHBondContact O-N 2.96Å; E252-I265 HydrophobicContact CB-CD1 3.91Å; E252-I265 HydrophobicContact CB-CG1 4.34Å
253	T	76.5	Confident	71	Confident	51 Å²	51	99.8 Å²	99.8	31%	0.313	47%	0.473	S	S	.	.	H	α-helix	trans	-58.2	-39.1	176.4	-56.8	0	0	0	0	112	H249 Y250 R257	H249-T253 WeakPolarHBondContact O-CB 3.37Å; H249-T253 PolarHBondContact O-N 2.84Å; H249-T253 PolarHBondContact O-OG1 3.26Å; Y250-T253 PolarHBondContact O-N 2.8Å; T253-R257 WeakPolarHBondContact O-CG 3.47Å; T253-R257 PolarHBondContact O-N 3.21Å
254	Y	80.6	Confident	70.8	Confident	165 Å²	165	100.7 Å²	100.7	65%	0.647	48%	0.481	S	S	*	.	H	α-helix	trans	-64.2	-42.9	175.2	178.5	-95.3	0	0	0	111.9	Y250 L251 E252 R257	Y250-Y254 WeakPolarHBondContact O-CB 3.43Å; Y250-Y254 PolarHBondContact O-N 2.6Å; L251-Y254 WeakPolarHBondContact O-CB 3.42Å; L251-Y254 PolarHBondContact O-N 3.05Å; E252-Y254 VanDerWaalsContact C-N 3.27Å; E252-Y254 PolarHBondContact O-N 3.09Å; Y254-R257 PolarHBondContact O-N 3.33Å
255	M	72.6	Confident	70.5	Confident	41 Å²	41	100.6 Å²	100.6	20%	0.202	48%	0.481	C	S	.	.	H	α-helix	trans	-63.9	-42.6	176.9	-73	177.3	60.6	0	0	112.3	L251 E252 R257 H258 I261 A263 I265	L251-M255 WeakPolarHBondContact O-CG 3.48Å; L251-M255 PolarHBondContact O-N 3.43Å; E252-M255 WeakPolarHBondContact O-CB 3.34Å; E252-M255 PolarHBondContact O-N 2.87Å; M255-R257 PolarHBondContact O-N 3.24Å; M255-H258 WeakPolarHBondContact O-CB 3.48Å; M255-H258 PolarHBondContact O-N 3.45Å; M255-I261 HydrophobicContact CB-CG2 4.15Å; M255-I261 HydrophobicContact CE-CG2 3.75Å; M255-A263 HydrophobicContact CE-CB 3.47Å; M255-A263 VanDerWaalsContact CE-CB 3.47Å; M255-I265 HydrophobicContact CE-CG1 4.4Å; M255-I265 HydrophobicContact SD-CD1 3.55Å; M255-I265 VanDerWaalsContact SD-CD1 3.55Å; M255-I265 HydrophobicContact SD-CG1 3.68Å
256	W	70.9	Confident	70.4	Confident	157 Å²	157	100.4 Å²	100.4	60%	0.595	49%	0.486	S	S	*	.	H	α-helix	trans	-65.3	-23	178.5	-83	100.1	0	0	0	114.1	E252 H258	E252-W256 PolarHBondContact O-N 2.96Å; W256-H258 PolarHBondContact O-N 3.45Å
257	R	79	Confident	69.6	Low	201 Å²	201	95 Å²	95	76%	0.758	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-16.2	173	-72.3	175.8	-177.4	-170.8	1.1	112.8	T253 Y254 M255 P259	T253-R257 WeakPolarHBondContact O-CG 3.47Å; T253-R257 PolarHBondContact O-N 3.21Å; Y254-R257 PolarHBondContact O-N 3.33Å; M255-R257 PolarHBondContact O-N 3.24Å; R257-P259 WeakPolarHBondContact O-CD 3.41Å
258	H	77.9	Confident	68.9	Low	92 Å²	92	93.3 Å²	93.3	43%	0.426	46%	0.46	S	S	.	.	S	Bend	trans	-87	113.8	179.7	-154.8	-72.8	0	0	0	109.8	M255 W256 S260 I261	M255-H258 WeakPolarHBondContact O-CB 3.48Å; M255-H258 PolarHBondContact O-N 3.45Å; W256-H258 PolarHBondContact O-N 3.45Å; H258-S260 PolarHBondContact CE1-OG 3.03Å; H258-S260 PolarHBondContact ND1-OG 3.07Å; H258-S260 PolarHBondContact O-N 3.25Å; H258-I261 HydrophobicContact CB-CB 4.08Å; H258-I261 HydrophobicContact CB-CD1 3.6Å; H258-I261 HydrophobicContact CB-CG1 3.75Å; H258-I261 PolarHBondContact O-N 3.35Å
259	P	67.6	Low	68.4	Low	131 Å²	131	94.6 Å²	94.6	85%	0.851	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17	-169.2	21.6	-31.6	0	0	0	114.5	R257	R257-P259 WeakPolarHBondContact O-CD 3.41Å
260	S	75.2	Confident	67.7	Low	91 Å²	91	91.3 Å²	91.3	64%	0.636	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-6.6	177.9	60	0	0	0	0	115	H258	H258-S260 PolarHBondContact CE1-OG 3.03Å; H258-S260 PolarHBondContact ND1-OG 3.07Å; H258-S260 PolarHBondContact O-N 3.25Å
261	I	65.7	Low	66.7	Low	60 Å²	60	83.7 Å²	83.7	31%	0.308	44%	0.436	S	S	.	.			trans	-97.2	108.6	-176.2	-60.7	-178.9	0	0	0	109.3	M255 H258 A263	M255-I261 HydrophobicContact CB-CG2 4.15Å; M255-I261 HydrophobicContact CE-CG2 3.75Å; H258-I261 HydrophobicContact CB-CB 4.08Å; H258-I261 HydrophobicContact CB-CD1 3.6Å; H258-I261 HydrophobicContact CB-CG1 3.75Å; H258-I261 PolarHBondContact O-N 3.35Å; I261-A263 HydrophobicContact CG2-CB 3.9Å
262	K	67	Low	65.3	Low	205 Å²	205	84.3 Å²	84.3	89%	0.891	44%	0.442	S	S	*	.			trans	-106.9	70.1	169.3	-66.1	-174.2	-179.8	-178	0	109.3
263	A	64.6	Low	64.1	Low	41 Å²	41	85.6 Å²	85.6	34%	0.339	45%	0.451	S	S	.	.			trans	-133.6	141.9	-178.7	0	0	0	0	0	110.4	M255 I261	M255-A263 HydrophobicContact CE-CB 3.47Å; M255-A263 VanDerWaalsContact CE-CB 3.47Å; I261-A263 HydrophobicContact CG2-CB 3.9Å
264	N	58	Low	62.7	Low	110 Å²	110	84.2 Å²	84.2	59%	0.588	45%	0.447	S	S	*	.			trans	-104.8	147.5	172.8	-63	-27.3	0	0	0	108.1
265	I	56.3	Low	61	Low	24 Å²	24	77.9 Å²	77.9	12%	0.123	42%	0.424	C	S	.	.			trans	-97.8	128.4	176	-54.1	-177.8	0	0	0	108.8	V248 L251 E252 M255 L284	V248-I265 HydrophobicContact CG1-CB 4.33Å; V248-I265 HydrophobicContact CG1-CG2 3.82Å; L251-I265 HydrophobicContact CB-CD1 3.82Å; L251-I265 HydrophobicContact CD2-CD1 3.73Å; L251-I265 HydrophobicContact CG-CD1 3.51Å; E252-I265 HydrophobicContact CB-CD1 3.91Å; E252-I265 HydrophobicContact CB-CG1 4.34Å; M255-I265 HydrophobicContact CE-CG1 4.4Å; M255-I265 HydrophobicContact SD-CD1 3.55Å; M255-I265 VanDerWaalsContact SD-CD1 3.55Å; M255-I265 HydrophobicContact SD-CG1 3.68Å; I265-L284 HydrophobicContact CG2-CB 4Å; I265-L284 HydrophobicContact CG2-CD1 4.08Å; I265-L284 HydrophobicContact CG2-CD2 3.89Å; I265-L284 HydrophobicContact CG2-CG 4.2Å
266	C	63.5	Low	60	Low	73 Å²	73	76.5 Å²	76.5	49%	0.493	42%	0.42	S	S	.	.			trans	-110.7	127.9	173.2	-67.8	0	0	0	0	110.2	L284 C285	C266-L284 CarbonylContact O-C 3.56Å; C266-L284 WeakPolarHBondContact O-CA 3.42Å; C266-C285 HydrophobicContact CB-CB 4.43Å; C266-C285 PolarHBondContact N-O 3.31Å; C266-C285 PolarHBondContact O-N 3.01Å
267	V	51.1	Low	59.1	Low	41 Å²	41	71.5 Å²	71.5	25%	0.248	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.8	168.3	-177.6	0	0	0	0	108.8	L245 V248 V272 I282 L284	L245-V267 HydrophobicContact CD2-CG2 3.95Å; V248-V267 HydrophobicContact CG1-CG2 4.17Å; V248-V267 HydrophobicContact CG2-CG2 4.12Å; V267-V272 HydrophobicContact CB-CG2 4.48Å; V267-V272 HydrophobicContact CG1-CG2 4.08Å; V267-V272 WeakPolarHBondContact O-CG2 3.47Å; V267-I282 HydrophobicContact CG1-CD1 3.89Å; V267-I282 HydrophobicContact CG1-CG1 3.91Å; V267-I282 HydrophobicContact CG2-CD1 4.06Å; V267-L284 HydrophobicContact CG2-CD2 4.12Å
268	V	56.6	Low	57.7	Low	57 Å²	57	67.4 Å²	67.4	35%	0.345	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	179.4	175.4	-57.2	0	0	0	0	110.4	V272 D283 C285	V268-V272 VanDerWaalsContact CA-CG2 3.44Å; V268-D283 HydrophobicContact CB-CB 4.5Å; V268-D283 HydrophobicContact CG2-CB 3.44Å; V268-D283 VanDerWaalsContact CG2-CB 3.44Å; V268-D283 PolarHBondContact N-O 3.44Å; V268-C285 HydrophobicContact CG1-CB 3.99Å
269	G	60.3	Low	57.1	Low	37 Å²	37	70 Å²	70	38%	0.381	42%	0.415	S	S	.	.	S	Bend	trans	81.1	-154.9	176.8	0	0	0	0	0	114.6	S271 D283	G269-S271 VanDerWaalsContact C-N 3.33Å; G269-S271 PolarHBondContact O-N 3.17Å; G269-D283 WeakPolarHBondContact CA-OD2 3.41Å
270	S	53.3	Low	57	Low	43 Å²	43	65.5 Å²	65.5	30%	0.301	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-69.5	-31.4	-174.3	64.5	0	0	0	0	112.8	V272 N273 L275	S270-V272 PolarHBondContact O-N 2.95Å; S270-N273 PolarHBondContact O-N 3.46Å; S270-L275 CarbonylContact C-O 3.07Å; S270-L275 WeakPolarHBondContact CB-O 3.09Å; S270-L275 PolarHBondContact O-N 2.83Å; S270-L275 VanDerWaalsContact O-O 3.06Å; S270-L275 PolarHBondContact OG-O 3.13Å
271	S	56.1	Low	56.9	Low	7 Å²	7	66.3 Å²	66.3	5%	0.049	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62	-26.7	-179.6	-62.9	0	0	0	0	113	Q236 G269 N273 G274 L275	Q236-S271 PolarHBondContact NE2-OG 3.21Å; Q236-S271 VanDerWaalsContact NE2-OG 3.12Å; G269-S271 VanDerWaalsContact C-N 3.33Å; G269-S271 PolarHBondContact O-N 3.17Å; S271-N273 PolarHBondContact O-N 3.34Å; S271-G274 PolarHBondContact O-N 2.96Å; S271-G274 VanDerWaalsContact O-N 3.12Å; S271-L275 PolarHBondContact N-O 2.84Å
272	V	47.4	Very low	56.9	Low	86 Å²	86	65.3 Å²	65.3	52%	0.521	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-59.7	-33	172.3	178.3	0	0	0	0	112.1	V267 V268 S270 G274	V267-V272 HydrophobicContact CB-CG2 4.48Å; V267-V272 HydrophobicContact CG1-CG2 4.08Å; V267-V272 WeakPolarHBondContact O-CG2 3.47Å; V268-V272 VanDerWaalsContact CA-CG2 3.44Å; S270-V272 PolarHBondContact O-N 2.95Å; V272-G274 VanDerWaalsContact C-N 3.34Å
273	N	46.5	Very low	56.9	Low	85 Å²	85	58.8 Å²	58.8	46%	0.455	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-96	11.5	-178.2	-54.4	-45.5	0	0	0	112.1	S270 S271 L275	S270-N273 PolarHBondContact O-N 3.46Å; S271-N273 PolarHBondContact O-N 3.34Å; N273-L275 HydrophobicContact CB-CB 4.37Å; N273-L275 HydrophobicContact CB-CD1 3.9Å; N273-L275 HydrophobicContact CB-CG 3.9Å; N273-L275 PolarHBondContact O-N 3.27Å; N273-L275 VanDerWaalsContact O-N 3.11Å
274	G	45.8	Very low	56.9	Low	22 Å²	22	60 Å²	60	23%	0.227	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	12	-169.4	0	0	0	0	0	113.7	Q236 S271 V272	Q236-G274 PolarHBondContact N-O 3.07Å; Q236-G274 VanDerWaalsContact N-O 3.14Å; S271-G274 PolarHBondContact O-N 2.96Å; S271-G274 VanDerWaalsContact O-N 3.12Å; V272-G274 VanDerWaalsContact C-N 3.34Å
275	L	45.4	Very low	57.1	Low	32 Å²	32	60.9 Å²	60.9	17%	0.168	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-94.8	142.5	-176.3	-63.5	176	0	0	0	111	S234 V235 Q236 S270 S271 N273	S234-L275 CarbonylContact O-C 3.48Å; S234-L275 VanDerWaalsContact O-CA 3.25Å; S234-L275 WeakPolarHBondContact O-CA 3.33Å; S234-L275 WeakPolarHBondContact O-CD2 3.39Å; V235-L275 HydrophobicContact CG2-CD2 4.1Å; Q236-L275 PolarHBondContact NE2-O 3.23Å; S270-L275 CarbonylContact C-O 3.07Å; S270-L275 WeakPolarHBondContact CB-O 3.09Å; S270-L275 PolarHBondContact O-N 2.83Å; S270-L275 VanDerWaalsContact O-O 3.06Å; S270-L275 PolarHBondContact OG-O 3.13Å; S271-L275 PolarHBondContact N-O 2.84Å; N273-L275 HydrophobicContact CB-CB 4.37Å; N273-L275 HydrophobicContact CB-CD1 3.9Å; N273-L275 HydrophobicContact CB-CG 3.9Å; N273-L275 PolarHBondContact O-N 3.27Å; N273-L275 VanDerWaalsContact O-N 3.11Å
276	G	51.1	Low	57.1	Low	12 Å²	12	62.8 Å²	62.8	12%	0.124	38%	0.38	C	S	.	.			trans	143.5	177	176.5	0	0	0	0	0	111.3	S234 V235 Q236 C280	S234-G276 CarbonylContact C-O 3.48Å; S234-G276 PolarHBondContact O-N 3.29Å; V235-G276 CarbonylContact C-O 3.59Å; Q236-G276 WeakPolarHBondContact CA-O 3.48Å; Q236-G276 VanDerWaalsContact CG-CA 3.47Å; Q236-G276 WeakPolarHBondContact CG-O 3.47Å; Q236-G276 PolarHBondContact N-O 2.96Å; Q236-G276 VanDerWaalsContact N-O 3.15Å; G276-C280 VanDerWaalsContact CA-SG 3.53Å
277	S	52	Low	56.8	Low	51 Å²	51	62.2 Å²	62.2	36%	0.357	37%	0.374	S	S	.	.			trans	-100.9	172.1	170.7	67.8	0	0	0	0	110.5	K244 N279 C280	K244-S277 PolarHBondContact NZ-O 3.46Å; S277-N279 PolarHBondContact O-N 2.99Å; S277-N279 PolarHBondContact OG-N 2.87Å; S277-C280 PolarHBondContact N-SG 3.28Å; S277-C280 WeakPolarHBondContact O-CB 3.44Å; S277-C280 PolarHBondContact O-N 2.96Å; S277-C280 PolarHBondContact OG-N 2.92Å
278	Q	50.3	Low	57.1	Low	116 Å²	116	63.4 Å²	63.4	54%	0.542	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-27.7	168.1	177.8	171.3	7.4	0	0	112.6	K240	K240-Q278 HydrophobicContact CD-CG 3.86Å; K240-Q278 HydrophobicContact CG-CB 4.31Å; K240-Q278 HydrophobicContact CG-CG 3.97Å
279	N	65.3	Low	57.1	Low	145 Å²	145	63.8 Å²	63.8	78%	0.775	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-0.8	-177	-58.8	-21.9	0	0	0	113.8	S277	S277-N279 PolarHBondContact O-N 2.99Å; S277-N279 PolarHBondContact OG-N 2.87Å
280	C	65.2	Low	57	Low	37 Å²	37	65.4 Å²	65.4	25%	0.25	38%	0.383	C	S	.	.			trans	-67.8	140.6	175.8	-77.5	0	0	0	0	110.3	K244 G276 S277	K244-C280 WeakPolarHBondContact CE-O 3.44Å; K244-C280 PolarHBondContact NZ-O 2.95Å; G276-C280 VanDerWaalsContact CA-SG 3.53Å; S277-C280 PolarHBondContact N-SG 3.28Å; S277-C280 WeakPolarHBondContact O-CB 3.44Å; S277-C280 PolarHBondContact O-N 2.96Å; S277-C280 PolarHBondContact OG-N 2.92Å
281	D	74.1	Confident	57.2	Low	108 Å²	108	66.9 Å²	66.9	58%	0.578	39%	0.389	S	S	*	.			trans	-66.8	172.5	167.1	46.5	3.7	0	0	0	111.5
282	I	65.9	Low	57.3	Low	39 Å²	39	71.2 Å²	71.2	20%	0.2	41%	0.413	C	S	.	.			trans	-113.3	120	166.4	-170.8	159.8	0	0	0	107.7	K244 L245 V248 V267 L284	K244-I282 HydrophobicContact CB-CB 4.41Å; K244-I282 HydrophobicContact CB-CD1 3.86Å; L245-I282 HydrophobicContact CD2-CD1 4.4Å; V248-I282 HydrophobicContact CG2-CD1 3.48Å; V248-I282 VanDerWaalsContact CG2-CD1 3.48Å; V248-I282 HydrophobicContact CG2-CG1 4.31Å; V267-I282 HydrophobicContact CG1-CD1 3.89Å; V267-I282 HydrophobicContact CG1-CG1 3.91Å; V267-I282 HydrophobicContact CG2-CD1 4.06Å; I282-L284 HydrophobicContact CD1-CD2 4.35Å; I282-L284 HydrophobicContact CG1-CD2 3.98Å
283	D	67.1	Low	58	Low	69 Å²	69	70.1 Å²	70.1	37%	0.369	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.9	175.2	-61.3	-62.5	0	0	0	109	V268 G269	V268-D283 HydrophobicContact CB-CB 4.5Å; V268-D283 HydrophobicContact CG2-CB 3.44Å; V268-D283 VanDerWaalsContact CG2-CB 3.44Å; V268-D283 PolarHBondContact N-O 3.44Å; G269-D283 WeakPolarHBondContact CA-OD2 3.41Å
284	L	63.2	Low	59	Low	67 Å²	67	68.8 Å²	68.8	35%	0.351	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.1	178.8	-53.8	177.2	0	0	0	110.5	V248 L251 I265 C266 V267 I282	V248-L284 HydrophobicContact CB-CD2 4.46Å; V248-L284 HydrophobicContact CG1-CD2 4.15Å; V248-L284 HydrophobicContact CG2-CD1 4.3Å; V248-L284 HydrophobicContact CG2-CD2 3.47Å; V248-L284 VanDerWaalsContact CG2-CD2 3.47Å; L251-L284 HydrophobicContact CD2-CD1 3.69Å; I265-L284 HydrophobicContact CG2-CB 4Å; I265-L284 HydrophobicContact CG2-CD1 4.08Å; I265-L284 HydrophobicContact CG2-CD2 3.89Å; I265-L284 HydrophobicContact CG2-CG 4.2Å; C266-L284 CarbonylContact O-C 3.56Å; C266-L284 WeakPolarHBondContact O-CA 3.42Å; V267-L284 HydrophobicContact CG2-CD2 4.12Å; I282-L284 HydrophobicContact CD1-CD2 4.35Å; I282-L284 HydrophobicContact CG1-CD2 3.98Å
285	C	62.6	Low	60.2	Low	128 Å²	128	73.1 Å²	73.1	87%	0.865	42%	0.416	S	S	*	.			trans	-126	0	170.6	-176.9	0	0	0	0	110	C266 V268	C266-C285 HydrophobicContact CB-CB 4.43Å; C266-C285 PolarHBondContact N-O 3.31Å; C266-C285 PolarHBondContact O-N 3.01Å; V268-C285 HydrophobicContact CG1-CB 3.99Å

Retrieved 285 of 285 residues in 138 ms (Link to these results)

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