GIMA4_HUMAN Loading...

GTPase IMAP family member 4

During thymocyte development, may play a role in the regulation of apoptosis (By similarity). GTPase which exhibits a higher affinity for GDP than for GTP.

AlphaFold DB , UniProt , Accession Q9NUV9, Species HUMAN (Homo sapiens, Human), Gene GIMAP4, Length 329 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	36.6	Very low	240 Å²	240	153.7 Å²	153.7	100%	1.182	87%	0.87	S	S	*	*				0	85.6	0	-64.1	-132.1	-79.4	0	0	106.7
2	A	33.8	Very low	36.9	Very low	106 Å²	106	148.6 Å²	148.6	88%	0.876	85%	0.848	S	S	*	*				58.5	112.9	94	0	0	0	0	0	110.7
3	A	39.8	Very low	37	Very low	97 Å²	97	145.8 Å²	145.8	80%	0.802	84%	0.843	S	S	*	*				-153.2	145.8	64.5	0	0	0	0	0	115.1
4	Q	34.3	Very low	37.4	Very low	182 Å²	182	144.9 Å²	144.9	85%	0.85	84%	0.841	S	S	*	*			trans	-83.9	148.5	164.4	-69.4	165.6	-42.4	0	0	110.7
5	Y	42.8	Very low	37.3	Very low	238 Å²	238	143.7 Å²	143.7	93%	0.933	84%	0.84	S	S	*	*			trans	-156.7	129.9	141	-75.2	-74.3	0	0	0	105.2
6	G	35.9	Very low	36.8	Very low	80 Å²	80	139.9 Å²	139.9	83%	0.825	84%	0.84	S	S	*	*			cis	126.6	113	30.3	0	0	0	0	0	106.4
7	S	32.2	Very low	36.8	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	83%	0.829	S	S	*	*			trans	-92.7	163.5	-164.9	56.4	0	0	0	0	115.4
8	M	35.1	Very low	36.5	Very low	181 Å²	181	135.7 Å²	135.7	89%	0.892	83%	0.832	S	S	*	*			trans	81.5	133.2	158.8	-57.9	-178.8	-176.4	0	0	116.3
9	S	37.1	Very low	36.6	Very low	120 Å²	120	139.9 Å²	139.9	84%	0.839	83%	0.833	S	S	*	*			cis	-162.7	156.5	46.7	42.2	0	0	0	0	113.2
10	F	32.7	Very low	36.5	Very low	187 Å²	187	136.1 Å²	136.1	82%	0.82	82%	0.824	S	S	*	*			trans	-76.2	150.5	177.8	-119.9	-105.9	0	0	0	112.3
11	N	35.4	Very low	36.4	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	82%	0.821	S	S	*	*				-160.5	144.2	127.5	-112.6	-10.7	0	0	0	113.6
12	P	40.5	Very low	35.9	Very low	92 Å²	92	127.1 Å²	127.1	60%	0.597	80%	0.799	S	S	*	*			trans	-102.5	148.4	-169.8	38.6	-30.4	0	0	0	113.2
13	S	37.4	Very low	36	Very low	113 Å²	113	132.6 Å²	132.6	79%	0.79	80%	0.797	S	S	*	*			trans	159.5	131.6	160.7	-72.7	0	0	0	0	105.8
14	T	43.1	Very low	35.6	Very low	133 Å²	133	135.3 Å²	135.3	82%	0.816	79%	0.793	S	S	*	*			cis	-169.3	162.8	27.4	0.1	0	0	0	0	106.8
15	P	36.7	Very low	36	Very low	127 Å²	127	132.4 Å²	132.4	83%	0.825	78%	0.779	S	S	*	*			trans	-89.4	141	-165.2	34.7	-31.1	0	0	0	113
16	G	29.2	Very low	36.4	Very low	82 Å²	82	124 Å²	124	85%	0.845	75%	0.754	S	S	*	*			trans	155.1	88.4	167.7	0	0	0	0	0	114.6
17	A	35.9	Very low	37.3	Very low	78 Å²	78	122.5 Å²	122.5	65%	0.645	72%	0.724	S	S	*	*			trans	-160.4	100.5	151	0	0	0	0	0	108.7	Y19	A17-Y19 HydrophobicContact CB-CD2 4.36Å; A17-Y19 HydrophobicContact CB-CE2 4.13Å; A17-Y19 PolarHBondContact O-N 3.11Å
18	S	31.4	Very low	38.6	Very low	126 Å²	126	124 Å²	124	88%	0.881	72%	0.724	S	S	*	*			trans	-59	110.8	167.6	51.4	0	0	0	0	110.3
19	Y	39.7	Very low	40.7	Very low	216 Å²	216	117.6 Å²	117.6	85%	0.847	70%	0.696	S	S	*	*			trans	-103.5	116.2	162.8	-83	-88	0	0	0	108.4	A17	A17-Y19 HydrophobicContact CB-CD2 4.36Å; A17-Y19 HydrophobicContact CB-CE2 4.13Å; A17-Y19 PolarHBondContact O-N 3.11Å
20	G	33.7	Very low	43.3	Very low	63 Å²	63	113.1 Å²	113.1	65%	0.649	66%	0.663	S	S	*	*			trans	-64.2	169	-175.2	0	0	0	0	0	114.1	G22	G20-G22 PolarHBondContact O-N 2.7Å
21	P	34.6	Very low	46.3	Very low	119 Å²	119	104.9 Å²	104.9	77%	0.773	63%	0.627	S	S	*	*			trans	-78.4	88.7	-174.8	33.3	-31.3	0	0	0	109.3	R23	P21-R23 PolarHBondContact O-N 3.32Å
22	G	32.4	Very low	49.2	Very low	70 Å²	70	97.7 Å²	97.7	72%	0.722	59%	0.588	S	S	*	*			trans	-66.1	89.6	156.8	0	0	0	0	0	108.1	G20 Q24	G20-G22 PolarHBondContact O-N 2.7Å; G22-Q24 VanDerWaalsContact C-N 3.28Å; G22-Q24 PolarHBondContact O-N 3.23Å
23	R	36	Very low	51.9	Low	220 Å²	220	93.4 Å²	93.4	83%	0.83	56%	0.56	S	S	*	*			trans	-64.3	88.6	173.3	-73.5	-175.4	176.2	-167.5	-0.5	108.7	P21 E25	P21-R23 PolarHBondContact O-N 3.32Å; R23-E25 PolarHBondContact O-N 2.62Å
24	Q	31.3	Very low	54.8	Low	154 Å²	154	88 Å²	88	72%	0.72	52%	0.522	S	S	*	.			trans	-63.1	130.5	164	-74.4	178.6	-8.2	0	0	108.1	G22	G22-Q24 VanDerWaalsContact C-N 3.28Å; G22-Q24 PolarHBondContact O-N 3.23Å
25	E	42.4	Very low	57.3	Low	121 Å²	121	81.7 Å²	81.7	57%	0.565	48%	0.483	S	S	*	.			trans	-45.9	124.9	169.1	-84.5	-94.1	151.5	0	0	108.8	R23 R27 N28	R23-E25 PolarHBondContact O-N 2.62Å; E25-R27 PolarHBondContact O-N 3.34Å; E25-N28 PolarHBondContact O-N 2.78Å
26	P	51.7	Low	60.1	Low	61 Å²	61	75.6 Å²	75.6	40%	0.396	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-2.6	-172.6	20.5	-31	0	0	0	114.9	S29 Q295	P26-S29 PolarHBondContact O-OG 3.37Å; P26-Q295 HydrophobicContact CG-CG 4.27Å
27	R	55.6	Low	63.1	Low	50 Å²	50	71.8 Å²	71.8	19%	0.189	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-15.1	173.9	-72.6	-169.4	-74.3	157.8	-8.3	114.8	E25 S29 Q30 E230 R298	E25-R27 PolarHBondContact O-N 3.34Å; R27-S29 PolarHBondContact O-N 2.97Å; R27-Q30 PolarHBondContact O-N 3.21Å; R27-Q30 VanDerWaalsContact O-N 3.14Å; R27-E230 IonicContact CZ-OE1 3.32Å; R27-E230 IonicContact NH1-OE1 3.27Å; R27-E230 PolarHBondContact NH1-OE1 3.05Å; R27-E230 VanDerWaalsContact NH1-OE1 3.08Å; R27-E230 IonicContact NH1-OE2 3.61Å; R27-E230 IonicContact NH2-OE1 3.58Å; R27-E230 PolarHBondContact NH2-OE1 3.45Å; R27-R298 VanDerWaalsContact CZ-NE 3.29Å; R27-R298 VanDerWaalsContact CZ-NH1 3.32Å; R27-R298 VanDerWaalsContact NE-CD 3.3Å; R27-R298 VanDerWaalsContact NH1-NE 3.13Å; R27-R298 VanDerWaalsContact NH1-NH2 3.12Å
28	N	59	Low	65.7	Low	132 Å²	132	70.3 Å²	70.3	71%	0.706	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13	169.5	-73.7	-2.5	0	0	0	111.6	E25	E25-N28 PolarHBondContact O-N 2.78Å
29	S	79.3	Confident	68.4	Low	45 Å²	45	67.3 Å²	67.3	32%	0.315	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	14.4	173.6	59.5	0	0	0	0	113.6	P26 R27 T79 E80	P26-S29 PolarHBondContact O-OG 3.37Å; R27-S29 PolarHBondContact O-N 2.97Å; S29-T79 CarbonylContact O-C 3.53Å; S29-T79 VanDerWaalsContact O-CA 3.23Å; S29-T79 WeakPolarHBondContact O-CA 3.47Å; S29-T79 WeakPolarHBondContact O-CG2 3.43Å; S29-E80 PolarHBondContact O-N 3.14Å
30	Q	91.6	Very high	70.7	Confident	27 Å²	27	60 Å²	60	13%	0.126	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.2	175.8	-78.6	-177.6	-5.9	0	0	112.5	R27 E80 V82 H115	R27-Q30 PolarHBondContact O-N 3.21Å; R27-Q30 VanDerWaalsContact O-N 3.14Å; Q30-E80 CarbonylContact C-O 3.16Å; Q30-E80 VanDerWaalsContact CA-O 3.29Å; Q30-E80 WeakPolarHBondContact CA-O 3.36Å; Q30-E80 HydrophobicContact CG-CB 4.02Å; Q30-E80 HydrophobicContact CG-CG 4.41Å; Q30-E80 WeakPolarHBondContact CG-OE2 3.46Å; Q30-E80 PolarHBondContact NE2-OE2 3.07Å; Q30-V82 HydrophobicContact CG-CG2 4.41Å; Q30-H115 PolarHBondContact O-CE1 3.13Å; Q30-H115 PolarHBondContact O-ND1 2.94Å
31	L	95.3	Very high	73.5	Confident	13 Å²	13	57.1 Å²	57.1	7%	0.068	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	102.4	168.3	-175.8	60.9	0	0	0	109.7	W76 T79 E80 L81 V82 H115 I209 V213	L31-W76 HydrophobicContact CD2-CE3 4.46Å; L31-W76 HydrophobicContact CD2-CZ3 4.18Å; L31-T79 HydrophobicContact CB-CG2 3.9Å; L31-E80 PolarHBondContact N-O 3.36Å; L31-L81 HydrophobicContact CB-CD1 4Å; L31-L81 HydrophobicContact CD2-CD1 3.71Å; L31-L81 HydrophobicContact CG-CD1 3.93Å; L31-V82 PolarHBondContact O-N 2.89Å; L31-H115 WeakPolarHBondContact CA-ND1 3.47Å; L31-H115 HydrophobicContact CD1-CB 3.58Å; L31-I209 HydrophobicContact CD1-CG2 3.97Å; L31-I209 HydrophobicContact CD2-CG2 3.82Å; L31-I209 HydrophobicContact CG-CG2 4.19Å; L31-V213 HydrophobicContact CD1-CG2 3.81Å
32	R	96.9	Very high	76.3	Confident	10 Å²	10	52.5 Å²	52.5	4%	0.038	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.7	-175	-63.2	177.3	-60	-73.8	-8.2	111.2	V82 T110 G113 P114 H115 A116	R32-V82 CarbonylContact C-O 3.58Å; R32-V82 WeakPolarHBondContact CA-O 3.07Å; R32-V82 HydrophobicContact CG-CB 4.17Å; R32-T110 WeakPolarHBondContact CD-O 3.31Å; R32-T110 PolarHBondContact NE-O 3.41Å; R32-G113 PolarHBondContact NE-O 2.82Å; R32-G113 PolarHBondContact NH2-O 3.34Å; R32-P114 CarbonylContact O-C 3.57Å; R32-H115 PolarHBondContact N-ND1 3.41Å; R32-H115 PolarHBondContact NH1-CE1 3.25Å; R32-H115 PolarHBondContact NH2-CE1 3.22Å; R32-H115 PolarHBondContact NH2-NE2 2.89Å; R32-H115 WeakPolarHBondContact O-CB 3.43Å; R32-H115 PolarHBondContact O-N 3.03Å; R32-A116 PolarHBondContact O-N 2.9Å
33	I	97.9	Very high	79.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.2	-176.4	-60.1	160.2	0	0	0	108.7	L35 I50 L81 V82 V83 V84 A116 L118 I209	I33-L35 HydrophobicContact CG2-CD2 4.1Å; I33-I50 HydrophobicContact CD1-CG2 4.05Å; I33-L81 HydrophobicContact CD1-CD1 3.43Å; I33-L81 VanDerWaalsContact CD1-CD1 3.43Å; I33-L81 HydrophobicContact CD1-CG 4.31Å; I33-L81 HydrophobicContact CG1-CD1 4.5Å; I33-V82 PolarHBondContact N-O 3.03Å; I33-V83 HydrophobicContact CB-CG2 4.44Å; I33-V83 HydrophobicContact CD1-CG2 4.36Å; I33-V83 CarbonylContact O-C 3.59Å; I33-V83 WeakPolarHBondContact O-CA 3.47Å; I33-V84 PolarHBondContact O-N 3.08Å; I33-A116 WeakPolarHBondContact CA-O 3.5Å; I33-L118 HydrophobicContact CG2-CD1 3.72Å; I33-L118 HydrophobicContact CG2-CG 3.69Å; I33-I209 HydrophobicContact CD1-CD1 3.7Å; I33-I209 HydrophobicContact CD1-CG2 4.44Å; I33-I209 HydrophobicContact CG1-CD1 4.34Å; I33-I209 HydrophobicContact CG1-CG2 4.44Å
34	V	96.8	Very high	82.2	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.4	172.8	175	0	0	0	0	109.2	V36 V84 T86 T110 P114 A116 L117 L118	V34-V36 HydrophobicContact CG1-CG1 3.79Å; V34-V84 HydrophobicContact CG2-CB 4.32Å; V34-T86 HydrophobicContact CG1-CG2 3.94Å; V34-T110 HydrophobicContact CG2-CG2 3.49Å; V34-T110 VanDerWaalsContact CG2-CG2 3.49Å; V34-P114 HydrophobicContact CB-CB 4.49Å; V34-P114 HydrophobicContact CG2-CB 3.87Å; V34-P114 HydrophobicContact CG2-CG 4.29Å; V34-A116 PolarHBondContact N-O 2.86Å; V34-L117 HydrophobicContact CB-CD2 3.85Å; V34-L117 HydrophobicContact CG1-CD2 4.12Å; V34-L118 PolarHBondContact O-N 2.95Å
35	L	97.3	Very high	85.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.7	174.7	-48.9	-179.9	0	0	0	108.6	I33 K43 T46 G47 I50 V83 V84 T86 L118	I33-L35 HydrophobicContact CG2-CD2 4.1Å; L35-K43 HydrophobicContact CB-CB 4.18Å; L35-K43 WeakPolarHBondContact CD1-O 3.47Å; L35-T46 HydrophobicContact CD2-CG2 4.4Å; L35-G47 VanDerWaalsContact CD1-CA 3.48Å; L35-I50 HydrophobicContact CD2-CD1 3.84Å; L35-V83 HydrophobicContact CD1-CG1 3.76Å; L35-V83 HydrophobicContact CD2-CG1 4.29Å; L35-V83 HydrophobicContact CG-CG1 3.9Å; L35-V84 PolarHBondContact N-O 3.46Å; L35-T86 WeakPolarHBondContact O-CB 3.41Å; L35-T86 WeakPolarHBondContact O-CG2 3.47Å; L35-T86 PolarHBondContact O-OG1 3.28Å; L35-L118 HydrophobicContact CD2-CB 3.91Å; L35-L118 HydrophobicContact CD2-CD1 3.68Å; L35-L118 HydrophobicContact CD2-CG 4.08Å
36	V	93.6	Very high	87.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	161.4	176.7	-65.5	0	0	0	0	110.7	V34 T86 L118 L119 V120 I137 F141	V34-V36 HydrophobicContact CG1-CG1 3.79Å; V36-T86 HydrophobicContact CG1-CG2 4.35Å; V36-L118 PolarHBondContact N-O 2.8Å; V36-L119 HydrophobicContact CG2-CB 4.49Å; V36-L119 HydrophobicContact CG2-CD1 4.25Å; V36-V120 PolarHBondContact O-N 3.4Å; V36-I137 HydrophobicContact CB-CD1 4.35Å; V36-I137 HydrophobicContact CB-CG2 4.03Å; V36-I137 HydrophobicContact CG2-CG2 3.64Å; V36-F141 HydrophobicContact CG1-CE2 3.82Å; V36-F141 HydrophobicContact CG1-CZ 4.04Å; V36-F141 HydrophobicContact CG2-CE2 4.42Å
37	G	92.1	Very high	90.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	16%	0.158	C	C	.	.			trans	139.2	171.5	-176.3	0	0	0	0	0	112	K43	G37-K43 PolarHBondContact O-NZ 3.47Å
38	K	90.7	Very high	92	Very high	48 Å²	48	23.2 Å²	23.2	21%	0.209	15%	0.151	C	C	.	.	S	Bend	trans	-58.2	154.7	-176.9	-166.5	179.9	176.5	-179.8	0	112.8	G40 A41 K43 D91 E129 E130 A133	K38-G40 PolarHBondContact O-N 3.31Å; K38-A41 VanDerWaalsContact O-CB 3.24Å; K38-A41 WeakPolarHBondContact O-CB 3.3Å; K38-A41 PolarHBondContact O-N 2.9Å; K38-A41 VanDerWaalsContact O-N 3.17Å; K38-K43 PolarHBondContact O-NZ 3.43Å; K38-D91 VanDerWaalsContact CA-OD2 3.29Å; K38-D91 WeakPolarHBondContact CA-OD2 3.43Å; K38-D91 HydrophobicContact CB-CB 4.47Å; K38-D91 HydrophobicContact CG-CB 4.38Å; K38-D91 WeakPolarHBondContact CG-OD2 3.3Å; K38-E129 VanDerWaalsContact NZ-CB 3.27Å; K38-E129 IonicContact NZ-OE2 3.45Å; K38-E129 PolarHBondContact NZ-OE2 3.44Å; K38-E130 HydrophobicContact CD-CG 3.65Å; K38-A133 HydrophobicContact CB-CB 4.31Å; K38-A133 HydrophobicContact CG-CB 4.5Å
39	T	88	Confident	93.8	Very high	62 Å²	62	17.8 Å²	17.8	38%	0.38	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	130.4	165	-52.5	0	0	0	0	110.1	A41 G88 D91	T39-A41 VanDerWaalsContact C-N 3.31Å; T39-A41 PolarHBondContact O-N 3.07Å; T39-G88 WeakPolarHBondContact OG1-CA 3.45Å; T39-D91 PolarHBondContact N-OD2 2.9Å; T39-D91 PolarHBondContact OG1-OD2 3Å; T39-D91 VanDerWaalsContact OG1-OD2 3.11Å
40	G	88.8	Confident	94.7	Very high	62 Å²	62	15.6 Å²	15.6	64%	0.639	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	-3.4	-179.8	0	0	0	0	0	115.8	K38 G42	K38-G40 PolarHBondContact O-N 3.31Å; G40-G42 PolarHBondContact O-N 3.25Å; G40-G42 VanDerWaalsContact O-N 3.11Å
41	A	92.4	Very high	94.9	Very high	3 Å²	3	14.7 Å²	14.7	3%	0.025	10%	0.104	C	C	.	.	S	Bend	trans	-66.5	-11.3	177.9	0	0	0	0	0	114.5	K38 T39 V120 T154	K38-A41 VanDerWaalsContact O-CB 3.24Å; K38-A41 WeakPolarHBondContact O-CB 3.3Å; K38-A41 PolarHBondContact O-N 2.9Å; K38-A41 VanDerWaalsContact O-N 3.17Å; T39-A41 VanDerWaalsContact C-N 3.31Å; T39-A41 PolarHBondContact O-N 3.07Å; A41-V120 HydrophobicContact CB-CG1 4.32Å; A41-V120 VanDerWaalsContact CB-O 3.28Å; A41-V120 WeakPolarHBondContact CB-O 3.27Å; A41-V120 WeakPolarHBondContact O-CG1 3.44Å; A41-T154 VanDerWaalsContact O-CG2 3.29Å; A41-T154 WeakPolarHBondContact O-CG2 3.42Å; A41-T154 PolarHBondContact O-OG1 2.69Å
42	G	94	Very high	94.8	Very high	23 Å²	23	15.9 Å²	15.9	24%	0.237	12%	0.12	C	C	.	.	S	Bend	trans	97.8	18.2	177.5	0	0	0	0	0	115.3	G40 S44 A45 T46	G40-G42 PolarHBondContact O-N 3.25Å; G40-G42 VanDerWaalsContact O-N 3.11Å; G42-S44 PolarHBondContact O-N 3.06Å; G42-A45 PolarHBondContact O-N 3.34Å; G42-T46 PolarHBondContact O-N 2.96Å; G42-T46 PolarHBondContact O-OG1 3.07Å
43	K	95.8	Very high	94.6	Very high	12 Å²	12	21.9 Å²	21.9	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-49	-58.4	179.9	-60	-171.7	-64.5	-79.5	0	113.6	L35 G37 K38 A45 T46 G47 D85 T86 V120	L35-K43 HydrophobicContact CB-CB 4.18Å; L35-K43 WeakPolarHBondContact CD1-O 3.47Å; G37-K43 PolarHBondContact O-NZ 3.47Å; K38-K43 PolarHBondContact O-NZ 3.43Å; K43-A45 VanDerWaalsContact C-N 3.26Å; K43-A45 PolarHBondContact O-N 3.47Å; K43-T46 CarbonylContact O-C 3.49Å; K43-T46 WeakPolarHBondContact O-CA 3.18Å; K43-T46 WeakPolarHBondContact O-CB 3.34Å; K43-T46 PolarHBondContact O-N 3.43Å; K43-G47 PolarHBondContact O-N 3.33Å; K43-D85 VanDerWaalsContact CB-OD1 3.29Å; K43-D85 WeakPolarHBondContact CB-OD1 3.36Å; K43-T86 WeakPolarHBondContact CE-O 3.43Å; K43-V120 HydrophobicContact CG-CB 4.01Å; K43-V120 HydrophobicContact CG-CG2 4.07Å
44	S	95.9	Very high	94.4	Very high	16 Å²	16	31.1 Å²	31.1	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-37.6	-179.3	-41.4	0	0	0	0	113	G42 G47 N48 T66 D85	G42-S44 PolarHBondContact O-N 3.06Å; S44-G47 PolarHBondContact O-N 3.26Å; S44-N48 PolarHBondContact O-N 3.06Å; S44-N48 PolarHBondContact O-ND2 3.18Å; S44-T66 PolarHBondContact OG-OG1 3.44Å; S44-D85 WeakPolarHBondContact CA-OD2 3.36Å; S44-D85 VanDerWaalsContact CB-OD2 3.25Å; S44-D85 WeakPolarHBondContact CB-OD2 3.45Å; S44-D85 PolarHBondContact N-OD1 3.43Å; S44-D85 PolarHBondContact OG-OD2 3.41Å
45	A	96.2	Very high	94.2	Very high	24 Å²	24	33.1 Å²	33.1	20%	0.198	19%	0.194	C	C	.	.	H	α-helix	trans	-69.2	-42.3	177	0	0	0	0	0	111.3	G42 K43 G47 N48 S49 N191	G42-A45 PolarHBondContact O-N 3.34Å; K43-A45 VanDerWaalsContact C-N 3.26Å; K43-A45 PolarHBondContact O-N 3.47Å; A45-G47 VanDerWaalsContact C-N 3.31Å; A45-G47 PolarHBondContact O-N 3.06Å; A45-N48 WeakPolarHBondContact O-CB 3.5Å; A45-N48 PolarHBondContact O-N 3.38Å; A45-S49 PolarHBondContact O-N 3.46Å; A45-S49 PolarHBondContact O-OG 3.28Å; A45-N191 HydrophobicContact CB-CB 3.8Å
46	T	97.4	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-40.8	171.2	-64.6	0	0	0	0	111.5	L35 G42 K43 N48 S49 I50 I152 T154 L189 N191	L35-T46 HydrophobicContact CD2-CG2 4.4Å; G42-T46 PolarHBondContact O-N 2.96Å; G42-T46 PolarHBondContact O-OG1 3.07Å; K43-T46 CarbonylContact O-C 3.49Å; K43-T46 WeakPolarHBondContact O-CA 3.18Å; K43-T46 WeakPolarHBondContact O-CB 3.34Å; K43-T46 PolarHBondContact O-N 3.43Å; T46-N48 VanDerWaalsContact C-N 3.34Å; T46-N48 PolarHBondContact O-N 2.69Å; T46-S49 WeakPolarHBondContact O-CB 3.47Å; T46-S49 PolarHBondContact O-N 3.44Å; T46-I50 HydrophobicContact CG2-CD1 3.93Å; T46-I50 VanDerWaalsContact O-CG1 3.31Å; T46-I50 WeakPolarHBondContact O-CG1 3.27Å; T46-I50 PolarHBondContact O-N 2.93Å; T46-I152 HydrophobicContact CG2-CG2 4.15Å; T46-T154 WeakPolarHBondContact OG1-CG2 3.47Å; T46-L189 HydrophobicContact CG2-CD1 3.73Å; T46-N191 WeakPolarHBondContact CA-OD1 3.29Å; T46-N191 PolarHBondContact N-ND2 2.97Å; T46-N191 PolarHBondContact OG1-ND2 2.99Å; T46-N191 VanDerWaalsContact OG1-ND2 3.1Å
47	G	97.5	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-41.5	174.4	0	0	0	0	0	113	L35 K43 S44 A45 I50 L51	L35-G47 VanDerWaalsContact CD1-CA 3.48Å; K43-G47 PolarHBondContact O-N 3.33Å; S44-G47 PolarHBondContact O-N 3.26Å; A45-G47 VanDerWaalsContact C-N 3.31Å; A45-G47 PolarHBondContact O-N 3.06Å; G47-I50 PolarHBondContact O-N 3.26Å; G47-L51 WeakPolarHBondContact O-CB 3.36Å; G47-L51 VanDerWaalsContact O-CG 3.27Å; G47-L51 WeakPolarHBondContact O-CG 3.49Å; G47-L51 PolarHBondContact O-N 3.28Å
48	N	96.7	Very high	93.6	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.048	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-40	173.8	-70.5	-29.6	0	0	0	112.1	S44 A45 T46 L51 G52 R53 V55 F56 S58	S44-N48 PolarHBondContact O-N 3.06Å; S44-N48 PolarHBondContact O-ND2 3.18Å; A45-N48 WeakPolarHBondContact O-CB 3.5Å; A45-N48 PolarHBondContact O-N 3.38Å; T46-N48 VanDerWaalsContact C-N 3.34Å; T46-N48 PolarHBondContact O-N 2.69Å; N48-L51 PolarHBondContact O-N 2.63Å; N48-G52 PolarHBondContact O-N 3.03Å; N48-R53 WeakPolarHBondContact CA-O 3.3Å; N48-R53 WeakPolarHBondContact CB-O 3.21Å; N48-R53 PolarHBondContact O-N 2.97Å; N48-R53 PolarHBondContact OD1-O 2.98Å; N48-V55 PolarHBondContact OD1-N 2.97Å; N48-F56 PolarHBondContact ND2-O 2.9Å; N48-F56 PolarHBondContact OD1-N 2.97Å; N48-S58 PolarHBondContact ND2-OG 2.88Å
49	S	96.4	Very high	93	Very high	17 Å²	17	42.6 Å²	42.6	12%	0.119	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-42.5	175.4	-61	0	0	0	0	112.1	A45 T46 G52 N191 R202	A45-S49 PolarHBondContact O-N 3.46Å; A45-S49 PolarHBondContact O-OG 3.28Å; T46-S49 WeakPolarHBondContact O-CB 3.47Å; T46-S49 PolarHBondContact O-N 3.44Å; S49-G52 PolarHBondContact O-N 2.96Å; S49-N191 PolarHBondContact OG-OD1 2.83Å; S49-R202 WeakPolarHBondContact O-CD 3.35Å
50	I	96.9	Very high	92.2	Very high	0 Å²	0	47 Å²	47	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-47.6	176.3	-69.5	163.2	0	0	0	111	I33 L35 T46 G47 G52 L81 V83 L118 R202 L205 L206	I33-I50 HydrophobicContact CD1-CG2 4.05Å; L35-I50 HydrophobicContact CD2-CD1 3.84Å; T46-I50 HydrophobicContact CG2-CD1 3.93Å; T46-I50 VanDerWaalsContact O-CG1 3.31Å; T46-I50 WeakPolarHBondContact O-CG1 3.27Å; T46-I50 PolarHBondContact O-N 2.93Å; G47-I50 PolarHBondContact O-N 3.26Å; I50-G52 PolarHBondContact O-N 3.24Å; I50-L81 HydrophobicContact CG2-CD2 3.61Å; I50-L81 HydrophobicContact CG2-CG 4.26Å; I50-V83 HydrophobicContact CB-CG2 4.31Å; I50-V83 HydrophobicContact CG2-CG2 3.56Å; I50-L118 HydrophobicContact CD1-CD1 3.51Å; I50-R202 PolarHBondContact O-NE 3.3Å; I50-L205 HydrophobicContact CD1-CD2 3.95Å; I50-L205 HydrophobicContact CG1-CD2 3.44Å; I50-L205 VanDerWaalsContact CG1-CD2 3.44Å; I50-L205 HydrophobicContact CG1-CG 4.45Å; I50-L206 HydrophobicContact CG2-CD2 4.35Å
51	L	96.1	Very high	91.4	Very high	7 Å²	7	47 Å²	47	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-74.3	-12.1	-178.3	-65.9	172	0	0	0	113.3	G47 N48 R53 V55 F56 R72 S74 L81 V83	G47-L51 WeakPolarHBondContact O-CB 3.36Å; G47-L51 VanDerWaalsContact O-CG 3.27Å; G47-L51 WeakPolarHBondContact O-CG 3.49Å; G47-L51 PolarHBondContact O-N 3.28Å; N48-L51 PolarHBondContact O-N 2.63Å; L51-R53 HydrophobicContact CB-CG 4.33Å; L51-R53 PolarHBondContact O-N 3.4Å; L51-V55 HydrophobicContact CB-CG2 4.42Å; L51-V55 HydrophobicContact CD1-CG2 3.35Å; L51-F56 HydrophobicContact CD1-CD2 4.2Å; L51-F56 HydrophobicContact CD1-CE2 3.55Å; L51-F56 HydrophobicContact CD1-CZ 4.21Å; L51-R72 HydrophobicContact CD1-CB 3.59Å; L51-S74 VanDerWaalsContact CD2-OG 3.3Å; L51-S74 WeakPolarHBondContact CD2-OG 3.26Å; L51-L81 HydrophobicContact CD2-CD2 4.46Å; L51-V83 HydrophobicContact CD1-CB 4.24Å; L51-V83 HydrophobicContact CD1-CG2 4.41Å; L51-V83 HydrophobicContact CD2-CB 4.2Å; L51-V83 HydrophobicContact CD2-CG2 3.67Å; L51-V83 HydrophobicContact CG-CB 4.25Å; L51-V83 HydrophobicContact CG-CG2 3.88Å
52	G	93.5	Very high	89.9	Confident	39 Å²	39	52.3 Å²	52.3	40%	0.402	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	13.2	-178	0	0	0	0	0	114.2	N48 S49 I50	N48-G52 PolarHBondContact O-N 3.03Å; S49-G52 PolarHBondContact O-N 2.96Å; I50-G52 PolarHBondContact O-N 3.24Å
53	R	93.1	Very high	88.7	Confident	135 Å²	135	59.9 Å²	59.9	51%	0.509	35%	0.351	S	S	.	.	S	Bend	trans	-155.5	153.1	-178.2	56.2	176.8	-179	-172	3.4	111.5	N48 L51 V55 S73	N48-R53 WeakPolarHBondContact CA-O 3.3Å; N48-R53 WeakPolarHBondContact CB-O 3.21Å; N48-R53 PolarHBondContact O-N 2.97Å; N48-R53 PolarHBondContact OD1-O 2.98Å; L51-R53 HydrophobicContact CB-CG 4.33Å; L51-R53 PolarHBondContact O-N 3.4Å; R53-V55 HydrophobicContact CG-CG1 3.77Å; R53-V55 HydrophobicContact CG-CG2 4.49Å; R53-V55 PolarHBondContact O-N 3.4Å; R53-S73 PolarHBondContact NH2-O 3.26Å
54	K	93.1	Very high	87.6	Confident	195 Å²	195	61.5 Å²	61.5	85%	0.848	36%	0.363	S	S	*	.			trans	-81	96.5	178.2	-63.5	-177.1	-179.9	-179.7	0	110.6
55	V	93.1	Very high	86.6	Confident	42 Å²	42	63.4 Å²	63.4	26%	0.255	37%	0.372	S	S	.	.			trans	-126.5	-21.4	-178.4	-69.6	0	0	0	0	114.3	N48 L51 R53 R72	N48-V55 PolarHBondContact OD1-N 2.97Å; L51-V55 HydrophobicContact CB-CG2 4.42Å; L51-V55 HydrophobicContact CD1-CG2 3.35Å; R53-V55 HydrophobicContact CG-CG1 3.77Å; R53-V55 HydrophobicContact CG-CG2 4.49Å; R53-V55 PolarHBondContact O-N 3.4Å; V55-R72 HydrophobicContact CB-CG 4.2Å; V55-R72 HydrophobicContact CG2-CB 3.96Å; V55-R72 HydrophobicContact CG2-CG 3.87Å; V55-R72 PolarHBondContact O-NE 3.38Å
56	F	93.2	Very high	85.6	Confident	6 Å²	6	62.6 Å²	62.6	3%	0.026	37%	0.365	C	S	.	.	S	Bend	trans	-90.1	138.8	163.6	-62.1	-64.8	0	0	0	109.3	N48 L51 S58 E70 R72 V83 D85	N48-F56 PolarHBondContact ND2-O 2.9Å; N48-F56 PolarHBondContact OD1-N 2.97Å; L51-F56 HydrophobicContact CD1-CD2 4.2Å; L51-F56 HydrophobicContact CD1-CE2 3.55Å; L51-F56 HydrophobicContact CD1-CZ 4.21Å; F56-S58 PolarHBondContact O-N 3.31Å; F56-S58 VanDerWaalsContact O-N 3.14Å; F56-E70 HydrophobicContact CD1-CB 4.01Å; F56-E70 HydrophobicContact CE1-CB 3.76Å; F56-E70 VanDerWaalsContact CE1-O 3.3Å; F56-E70 WeakPolarHBondContact CE1-O 3.33Å; F56-R72 HydrophobicContact CD1-CG 3.91Å; F56-R72 HydrophobicContact CE1-CB 3.98Å; F56-R72 HydrophobicContact CE1-CG 3.38Å; F56-R72 HydrophobicContact CE2-CB 4.2Å; F56-R72 HydrophobicContact CE2-CG 4.27Å; F56-R72 HydrophobicContact CZ-CB 3.64Å; F56-R72 HydrophobicContact CZ-CG 3.6Å; F56-V83 HydrophobicContact CE2-CB 4.22Å; F56-V83 HydrophobicContact CE2-CG1 3.88Å; F56-V83 HydrophobicContact CZ-CB 4.3Å; F56-V83 HydrophobicContact CZ-CG1 4.14Å; F56-D85 HydrophobicContact CD1-CB 3.74Å; F56-D85 HydrophobicContact CD2-CB 4.4Å; F56-D85 HydrophobicContact CE1-CB 3.58Å; F56-D85 HydrophobicContact CE2-CB 4.25Å; F56-D85 HydrophobicContact CG-CB 4.15Å; F56-D85 HydrophobicContact CZ-CB 3.84Å
57	H	89	Confident	84.9	Confident	136 Å²	136	70.5 Å²	70.5	63%	0.63	40%	0.399	S	S	*	.			trans	-70.2	111.2	172.5	-167.3	59.6	0	0	0	109.1	I65	H57-I65 HydrophobicContact CB-CG2 4.1Å; H57-I65 VanDerWaalsContact CD2-CG2 3.4Å; H57-I65 WeakPolarHBondContact CD2-CG2 3.36Å; H57-I65 WeakPolarHBondContact O-CG2 3.36Å
58	S	87	Confident	84.3	Confident	51 Å²	51	76.1 Å²	76.1	36%	0.357	42%	0.423	S	S	.	.			trans	-124.3	127.6	178.8	63.3	0	0	0	0	109.7	N48 F56	N48-S58 PolarHBondContact ND2-OG 2.88Å; F56-S58 PolarHBondContact O-N 3.31Å; F56-S58 VanDerWaalsContact O-N 3.14Å
59	G	79.3	Confident	84	Confident	55 Å²	55	75.9 Å²	75.9	57%	0.567	42%	0.422	S	S	*	.			trans	-168.3	170.5	178.5	0	0	0	0	0	111.4	I65	G59-I65 WeakPolarHBondContact O-CD1 3.47Å
60	T	70.9	Confident	83.8	Confident	154 Å²	154	77.8 Å²	77.8	95%	0.945	43%	0.429	S	S	*	.			trans	-82.2	121.5	169.6	44.2	0	0	0	0	108.8
61	A	71.5	Confident	83.7	Confident	63 Å²	63	80.2 Å²	80.2	52%	0.521	44%	0.44	S	S	.	.			trans	-142.5	148.1	174.4	0	0	0	0	0	109.4	K63 I65	A61-K63 WeakPolarHBondContact CB-O 3.45Å; A61-K63 PolarHBondContact O-N 2.85Å; A61-I65 HydrophobicContact CB-CD1 3.95Å; A61-I65 HydrophobicContact CB-CG1 3.79Å
62	A	61.9	Low	83.6	Confident	115 Å²	115	84.2 Å²	84.2	95%	0.95	46%	0.455	S	S	*	.	S	Bend	trans	-69.5	-9.8	175.3	0	0	0	0	0	113.2
63	K	68.8	Low	83.7	Confident	181 Å²	181	84.3 Å²	84.3	79%	0.787	45%	0.449	S	S	*	.	S	Bend	trans	-127.7	155.2	178	-65.2	-175.7	179.6	-179.3	0	109.6	A61 I65	A61-K63 WeakPolarHBondContact CB-O 3.45Å; A61-K63 PolarHBondContact O-N 2.85Å; K63-I65 PolarHBondContact O-N 3.19Å
64	S	72.5	Confident	83.7	Confident	46 Å²	46	78.5 Å²	78.5	32%	0.322	43%	0.429	S	S	.	.			trans	-56.6	123.1	174.7	-168	0	0	0	0	110.6	T66	S64-T66 PolarHBondContact OG-O 2.97Å
65	I	73.5	Confident	83.7	Confident	56 Å²	56	74.1 Å²	74.1	29%	0.287	42%	0.423	S	S	.	.	S	Bend	trans	-72.3	-56	175.2	-74.4	173.1	0	0	0	109.5	H57 G59 A61 K63 K67	H57-I65 HydrophobicContact CB-CG2 4.1Å; H57-I65 VanDerWaalsContact CD2-CG2 3.4Å; H57-I65 WeakPolarHBondContact CD2-CG2 3.36Å; H57-I65 WeakPolarHBondContact O-CG2 3.36Å; G59-I65 WeakPolarHBondContact O-CD1 3.47Å; A61-I65 HydrophobicContact CB-CD1 3.95Å; A61-I65 HydrophobicContact CB-CG1 3.79Å; K63-I65 PolarHBondContact O-N 3.19Å; I65-K67 PolarHBondContact O-N 3.41Å
66	T	76.9	Confident	83.4	Confident	8 Å²	8	73.6 Å²	73.6	5%	0.049	42%	0.416	C	S	.	.			trans	-77	112.4	177.9	-50.4	0	0	0	0	108.6	S44 S64 K68 D85 P87	S44-T66 PolarHBondContact OG-OG1 3.44Å; S64-T66 PolarHBondContact OG-O 2.97Å; T66-K68 WeakPolarHBondContact CG2-O 3.49Å; T66-D85 PolarHBondContact OG1-OD2 3.36Å; T66-P87 HydrophobicContact CG2-CB 4.39Å; T66-P87 VanDerWaalsContact O-CB 3.26Å; T66-P87 WeakPolarHBondContact O-CB 3.34Å
67	K	81.4	Confident	83.1	Confident	166 Å²	166	80.6 Å²	80.6	72%	0.722	45%	0.447	S	S	*	.			trans	-103.1	-18.4	177.5	-65.4	-174.6	-179.9	-179.1	0	113.4	I65	I65-K67 PolarHBondContact O-N 3.41Å
68	K	86.4	Confident	83	Confident	118 Å²	118	83.2 Å²	83.2	51%	0.513	46%	0.459	S	S	.	.	S	Bend	trans	-136.8	152.9	-178.9	-63.5	-179	173.1	179.4	0	109.3	T66 E70 E102	T66-K68 WeakPolarHBondContact CG2-O 3.49Å; K68-E70 PolarHBondContact O-N 2.98Å; K68-E102 VanDerWaalsContact CA-OE2 3.22Å; K68-E102 WeakPolarHBondContact CA-OE2 3.49Å
69	C	89.8	Confident	83.1	Confident	4 Å²	4	82.8 Å²	82.8	3%	0.027	46%	0.455	C	S	.	.			trans	-61.2	129.7	172.6	-65	0	0	0	0	109.9	V84 D85 P87 E102 R105 L109	C69-V84 HydrophobicContact CB-CG1 4.18Å; C69-D85 VanDerWaalsContact CA-O 3.31Å; C69-D85 WeakPolarHBondContact CA-O 3.4Å; C69-P87 VanDerWaalsContact SG-CD 3.59Å; C69-E102 PolarHBondContact N-OE2 2.94Å; C69-E102 PolarHBondContact SG-O 3.47Å; C69-R105 HydrophobicContact CB-CB 4.5Å; C69-R105 HydrophobicContact CB-CG 4.22Å; C69-R105 PolarHBondContact O-NE 3.16Å; C69-L109 HydrophobicContact CB-CD1 3.9Å
70	E	92.4	Very high	83.8	Confident	56 Å²	56	83.4 Å²	83.4	26%	0.262	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.4	179.6	-68.5	-167.9	-155	0	0	110.4	F56 K68 R72 V84 D85	F56-E70 HydrophobicContact CD1-CB 4.01Å; F56-E70 HydrophobicContact CE1-CB 3.76Å; F56-E70 VanDerWaalsContact CE1-O 3.3Å; F56-E70 WeakPolarHBondContact CE1-O 3.33Å; K68-E70 PolarHBondContact O-N 2.98Å; E70-R72 IonicContact OE2-CZ 2.81Å; E70-R72 IonicContact OE2-NH1 2.72Å; E70-R72 IonicContact OE2-NH2 3.74Å; E70-R72 PolarHBondContact OE2-NH2 2.96Å; E70-V84 VanDerWaalsContact O-CA 3.32Å; E70-V84 WeakPolarHBondContact O-CA 3.45Å; E70-D85 PolarHBondContact N-O 3.28Å; E70-D85 PolarHBondContact O-N 2.96Å
71	K	94.2	Very high	85	Confident	52 Å²	52	76.1 Å²	76.1	23%	0.226	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	172.3	178.2	176.1	171.4	170	0	109.6	V82 V84 L109 E302	K71-V82 HydrophobicContact CD-CG1 4.12Å; K71-V82 HydrophobicContact CG-CG1 3.84Å; K71-V84 HydrophobicContact CB-CG2 4.11Å; K71-V84 HydrophobicContact CG-CG2 4.3Å; K71-L109 HydrophobicContact CB-CD1 4.27Å; K71-L109 HydrophobicContact CB-CD2 4.1Å; K71-L109 HydrophobicContact CD-CB 4.43Å; K71-L109 HydrophobicContact CD-CD2 4.13Å; K71-E302 IonicContact NZ-OE2 2.65Å; K71-E302 PolarHBondContact NZ-OE2 2.81Å
72	R	95.1	Very high	86.1	Confident	91 Å²	91	73.1 Å²	73.1	34%	0.343	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.9	168.2	-64.6	-66.9	-175.9	-78.4	-10.7	108.9	L51 V55 F56 E70 V83	L51-R72 HydrophobicContact CD1-CB 3.59Å; V55-R72 HydrophobicContact CB-CG 4.2Å; V55-R72 HydrophobicContact CG2-CB 3.96Å; V55-R72 HydrophobicContact CG2-CG 3.87Å; V55-R72 PolarHBondContact O-NE 3.38Å; F56-R72 HydrophobicContact CD1-CG 3.91Å; F56-R72 HydrophobicContact CE1-CB 3.98Å; F56-R72 HydrophobicContact CE1-CG 3.38Å; F56-R72 HydrophobicContact CE2-CB 4.2Å; F56-R72 HydrophobicContact CE2-CG 4.27Å; F56-R72 HydrophobicContact CZ-CB 3.64Å; F56-R72 HydrophobicContact CZ-CG 3.6Å; E70-R72 IonicContact OE2-CZ 2.81Å; E70-R72 IonicContact OE2-NH1 2.72Å; E70-R72 IonicContact OE2-NH2 3.74Å; E70-R72 PolarHBondContact OE2-NH2 2.96Å; R72-V83 PolarHBondContact N-O 3.49Å; R72-V83 PolarHBondContact O-N 2.98Å
73	S	94.3	Very high	87.9	Confident	41 Å²	41	67.7 Å²	67.7	29%	0.287	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161.4	174.8	64.5	0	0	0	0	112.7	R53 E80 L81	R53-S73 PolarHBondContact NH2-O 3.26Å; S73-E80 VanDerWaalsContact CB-OE1 3.22Å; S73-E80 WeakPolarHBondContact CB-OE1 3.34Å; S73-E80 PolarHBondContact OG-OE1 3.35Å; S73-L81 CarbonylContact C-O 3.46Å; S73-L81 WeakPolarHBondContact CA-O 3.46Å; S73-L81 VanDerWaalsContact CB-O 3.28Å; S73-L81 WeakPolarHBondContact CB-O 3.43Å
74	S	93.9	Very high	89.2	Confident	12 Å²	12	59 Å²	59	8%	0.084	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.1	171.3	61.2	0	0	0	0	109.3	L51 L81	L51-S74 VanDerWaalsContact CD2-OG 3.3Å; L51-S74 WeakPolarHBondContact CD2-OG 3.26Å; S74-L81 PolarHBondContact N-O 3.4Å; S74-L81 WeakPolarHBondContact O-CB 3.21Å; S74-L81 PolarHBondContact O-N 2.96Å
75	S	91.7	Very high	90.3	Very high	104 Å²	104	56.9 Å²	56.9	73%	0.727	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.1	168.3	52.9	0	0	0	0	110.5
76	W	88	Confident	91.1	Very high	30 Å²	30	54.2 Å²	54.2	11%	0.114	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	112.8	167.8	178.8	59.7	0	0	0	109.5	L31 E78 T79 L81 L206 Q210	L31-W76 HydrophobicContact CD2-CE3 4.46Å; L31-W76 HydrophobicContact CD2-CZ3 4.18Å; W76-E78 PolarHBondContact O-N 3.39Å; W76-T79 PolarHBondContact N-O 2.83Å; W76-T79 WeakPolarHBondContact O-CB 3.33Å; W76-T79 PolarHBondContact O-N 3.46Å; W76-L81 HydrophobicContact CB-CB 4.34Å; W76-L206 HydrophobicContact CD2-CD1 3.89Å; W76-L206 HydrophobicContact CG-CD1 4.04Å; W76-L206 HydrophobicContact CH2-CB 3.69Å; W76-L206 HydrophobicContact CZ2-CB 3.57Å; W76-L206 HydrophobicContact CZ2-CD1 3.97Å; W76-L206 HydrophobicContact CZ2-CG 4.33Å; W76-L206 HydrophobicContact CZ3-CB 4.35Å; W76-Q210 HydrophobicContact CH2-CG 3.69Å; W76-Q210 HydrophobicContact CZ3-CG 3.8Å; W76-Q210 VanDerWaalsContact CZ3-NE2 3.28Å
77	K	86.3	Confident	91.5	Very high	154 Å²	154	53.9 Å²	53.9	67%	0.67	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-132.4	-164.5	-54.5	175.5	177.4	176.4	0	109.1	T79	K77-T79 VanDerWaalsContact C-N 3.3Å
78	E	86.8	Confident	91.4	Very high	190 Å²	190	46.1 Å²	46.1	89%	0.888	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	10.2	176.4	-59.8	178.2	170	0	0	112.6	W76	W76-E78 PolarHBondContact O-N 3.39Å
79	T	90.2	Very high	90.6	Very high	43 Å²	43	42.3 Å²	42.3	26%	0.264	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.4	-176.6	-52	0	0	0	0	110.2	S29 L31 W76 K77 L81	S29-T79 CarbonylContact O-C 3.53Å; S29-T79 VanDerWaalsContact O-CA 3.23Å; S29-T79 WeakPolarHBondContact O-CA 3.47Å; S29-T79 WeakPolarHBondContact O-CG2 3.43Å; L31-T79 HydrophobicContact CB-CG2 3.9Å; W76-T79 PolarHBondContact N-O 2.83Å; W76-T79 WeakPolarHBondContact O-CB 3.33Å; W76-T79 PolarHBondContact O-N 3.46Å; K77-T79 VanDerWaalsContact C-N 3.3Å; T79-L81 PolarHBondContact O-N 3.05Å
80	E	93.4	Very high	89.6	Confident	68 Å²	68	42.5 Å²	42.5	32%	0.318	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.6	168	179.2	-178.1	-158	0	0	109.5	S29 Q30 L31 S73 V82	S29-E80 PolarHBondContact O-N 3.14Å; Q30-E80 CarbonylContact C-O 3.16Å; Q30-E80 VanDerWaalsContact CA-O 3.29Å; Q30-E80 WeakPolarHBondContact CA-O 3.36Å; Q30-E80 HydrophobicContact CG-CB 4.02Å; Q30-E80 HydrophobicContact CG-CG 4.41Å; Q30-E80 WeakPolarHBondContact CG-OE2 3.46Å; Q30-E80 PolarHBondContact NE2-OE2 3.07Å; L31-E80 PolarHBondContact N-O 3.36Å; S73-E80 VanDerWaalsContact CB-OE1 3.22Å; S73-E80 WeakPolarHBondContact CB-OE1 3.34Å; S73-E80 PolarHBondContact OG-OE1 3.35Å; E80-V82 HydrophobicContact CG-CG2 4.02Å
81	L	95.7	Very high	88.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.4	173.1	-171.4	66	0	0	0	108.9	L31 I33 I50 L51 S73 S74 W76 T79 V83 L206	L31-L81 HydrophobicContact CB-CD1 4Å; L31-L81 HydrophobicContact CD2-CD1 3.71Å; L31-L81 HydrophobicContact CG-CD1 3.93Å; I33-L81 HydrophobicContact CD1-CD1 3.43Å; I33-L81 VanDerWaalsContact CD1-CD1 3.43Å; I33-L81 HydrophobicContact CD1-CG 4.31Å; I33-L81 HydrophobicContact CG1-CD1 4.5Å; I50-L81 HydrophobicContact CG2-CD2 3.61Å; I50-L81 HydrophobicContact CG2-CG 4.26Å; L51-L81 HydrophobicContact CD2-CD2 4.46Å; S73-L81 CarbonylContact C-O 3.46Å; S73-L81 WeakPolarHBondContact CA-O 3.46Å; S73-L81 VanDerWaalsContact CB-O 3.28Å; S73-L81 WeakPolarHBondContact CB-O 3.43Å; S74-L81 PolarHBondContact N-O 3.4Å; S74-L81 WeakPolarHBondContact O-CB 3.21Å; S74-L81 PolarHBondContact O-N 2.96Å; W76-L81 HydrophobicContact CB-CB 4.34Å; T79-L81 PolarHBondContact O-N 3.05Å; L81-V83 HydrophobicContact CG-CG2 4.41Å; L81-L206 HydrophobicContact CD1-CD2 4.01Å; L81-L206 HydrophobicContact CD2-CD2 3.89Å
82	V	95.9	Very high	87.1	Confident	1 Å²	1	41 Å²	41	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.1	177.6	178.9	0	0	0	0	108.4	Q30 L31 R32 I33 K71 E80	Q30-V82 HydrophobicContact CG-CG2 4.41Å; L31-V82 PolarHBondContact O-N 2.89Å; R32-V82 CarbonylContact C-O 3.58Å; R32-V82 WeakPolarHBondContact CA-O 3.07Å; R32-V82 HydrophobicContact CG-CB 4.17Å; I33-V82 PolarHBondContact N-O 3.03Å; K71-V82 HydrophobicContact CD-CG1 4.12Å; K71-V82 HydrophobicContact CG-CG1 3.84Å; E80-V82 HydrophobicContact CG-CG2 4.02Å
83	V	97.8	Very high	85.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.4	176.7	-178	0	0	0	0	108.8	I33 L35 I50 L51 F56 R72 L81	I33-V83 HydrophobicContact CB-CG2 4.44Å; I33-V83 HydrophobicContact CD1-CG2 4.36Å; I33-V83 CarbonylContact O-C 3.59Å; I33-V83 WeakPolarHBondContact O-CA 3.47Å; L35-V83 HydrophobicContact CD1-CG1 3.76Å; L35-V83 HydrophobicContact CD2-CG1 4.29Å; L35-V83 HydrophobicContact CG-CG1 3.9Å; I50-V83 HydrophobicContact CB-CG2 4.31Å; I50-V83 HydrophobicContact CG2-CG2 3.56Å; L51-V83 HydrophobicContact CD1-CB 4.24Å; L51-V83 HydrophobicContact CD1-CG2 4.41Å; L51-V83 HydrophobicContact CD2-CB 4.2Å; L51-V83 HydrophobicContact CD2-CG2 3.67Å; L51-V83 HydrophobicContact CG-CB 4.25Å; L51-V83 HydrophobicContact CG-CG2 3.88Å; F56-V83 HydrophobicContact CE2-CB 4.22Å; F56-V83 HydrophobicContact CE2-CG1 3.88Å; F56-V83 HydrophobicContact CZ-CB 4.3Å; F56-V83 HydrophobicContact CZ-CG1 4.14Å; R72-V83 PolarHBondContact N-O 3.49Å; R72-V83 PolarHBondContact O-N 2.98Å; L81-V83 HydrophobicContact CG-CG2 4.41Å
84	V	96.2	Very high	83.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	111.1	171.3	177.3	0	0	0	0	109	I33 V34 L35 C69 E70 K71 L109 T110	I33-V84 PolarHBondContact O-N 3.08Å; V34-V84 HydrophobicContact CG2-CB 4.32Å; L35-V84 PolarHBondContact N-O 3.46Å; C69-V84 HydrophobicContact CB-CG1 4.18Å; E70-V84 VanDerWaalsContact O-CA 3.32Å; E70-V84 WeakPolarHBondContact O-CA 3.45Å; K71-V84 HydrophobicContact CB-CG2 4.11Å; K71-V84 HydrophobicContact CG-CG2 4.3Å; V84-L109 HydrophobicContact CG1-CD1 4.34Å; V84-L109 HydrophobicContact CG2-CB 4.02Å; V84-T110 HydrophobicContact CB-CG2 3.92Å; V84-T110 HydrophobicContact CG1-CG2 4.44Å; V84-T110 HydrophobicContact CG2-CG2 3.42Å; V84-T110 VanDerWaalsContact CG2-CG2 3.42Å
85	D	95.6	Very high	82.2	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.8	170.7	-174.3	34.6	0	0	0	109.1	K43 S44 F56 T66 C69 E70	K43-D85 VanDerWaalsContact CB-OD1 3.29Å; K43-D85 WeakPolarHBondContact CB-OD1 3.36Å; S44-D85 WeakPolarHBondContact CA-OD2 3.36Å; S44-D85 VanDerWaalsContact CB-OD2 3.25Å; S44-D85 WeakPolarHBondContact CB-OD2 3.45Å; S44-D85 PolarHBondContact N-OD1 3.43Å; S44-D85 PolarHBondContact OG-OD2 3.41Å; F56-D85 HydrophobicContact CD1-CB 3.74Å; F56-D85 HydrophobicContact CD2-CB 4.4Å; F56-D85 HydrophobicContact CE1-CB 3.58Å; F56-D85 HydrophobicContact CE2-CB 4.25Å; F56-D85 HydrophobicContact CG-CB 4.15Å; F56-D85 HydrophobicContact CZ-CB 3.84Å; T66-D85 PolarHBondContact OG1-OD2 3.36Å; C69-D85 VanDerWaalsContact CA-O 3.31Å; C69-D85 WeakPolarHBondContact CA-O 3.4Å; E70-D85 PolarHBondContact N-O 3.28Å; E70-D85 PolarHBondContact O-N 2.96Å
86	T	90.8	Very high	81.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.			trans	-107.8	146.4	-178	64.9	0	0	0	0	111.5	V34 L35 V36 K43 F90	V34-T86 HydrophobicContact CG1-CG2 3.94Å; L35-T86 WeakPolarHBondContact O-CB 3.41Å; L35-T86 WeakPolarHBondContact O-CG2 3.47Å; L35-T86 PolarHBondContact O-OG1 3.28Å; V36-T86 HydrophobicContact CG1-CG2 4.35Å; K43-T86 WeakPolarHBondContact CE-O 3.43Å; T86-F90 VanDerWaalsContact CB-CE2 3.47Å; T86-F90 HydrophobicContact CG2-CD2 4.23Å; T86-F90 HydrophobicContact CG2-CE2 3.74Å; T86-F90 HydrophobicContact CG2-CZ 4.03Å
87	P	85.9	Confident	80.7	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.278	C	S	.	.			trans	-64.3	164.8	169.4	27.7	-36.5	0	0	0	112	T66 C69 I89 F90 E102	T66-P87 HydrophobicContact CG2-CB 4.39Å; T66-P87 VanDerWaalsContact O-CB 3.26Å; T66-P87 WeakPolarHBondContact O-CB 3.34Å; C69-P87 VanDerWaalsContact SG-CD 3.59Å; P87-I89 HydrophobicContact CB-CD1 4.34Å; P87-I89 HydrophobicContact CB-CG1 3.81Å; P87-I89 HydrophobicContact CG-CD1 3.62Å; P87-I89 HydrophobicContact CG-CG1 3.46Å; P87-I89 VanDerWaalsContact CG-CG1 3.46Å; P87-I89 PolarHBondContact O-N 3.43Å; P87-F90 HydrophobicContact CG-CD2 4.46Å; P87-F90 HydrophobicContact CG-CE2 4.22Å; P87-F90 WeakPolarHBondContact O-CD2 3.49Å; P87-E102 HydrophobicContact CG-CB 4.22Å; P87-E102 HydrophobicContact CG-CG 4.29Å
88	G	79	Confident	80.3	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.031	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-54.3	-36.7	176.7	0	0	0	0	0	114.9	T39 F90 D91	T39-G88 WeakPolarHBondContact OG1-CA 3.45Å; G88-F90 PolarHBondContact O-N 2.96Å; G88-D91 WeakPolarHBondContact O-CB 3.35Å; G88-D91 PolarHBondContact O-N 2.94Å
89	I	69.8	Low	79.8	Confident	37 Å²	37	41.9 Å²	41.9	19%	0.19	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-47.2	-18.6	-171.5	53.6	160.2	0	0	0	117.3	P87 D91 T92 T99 E102	P87-I89 HydrophobicContact CB-CD1 4.34Å; P87-I89 HydrophobicContact CB-CG1 3.81Å; P87-I89 HydrophobicContact CG-CD1 3.62Å; P87-I89 HydrophobicContact CG-CG1 3.46Å; P87-I89 VanDerWaalsContact CG-CG1 3.46Å; P87-I89 PolarHBondContact O-N 3.43Å; I89-D91 PolarHBondContact O-N 3.17Å; I89-T92 PolarHBondContact O-N 3.2Å; I89-T92 PolarHBondContact O-OG1 2.65Å; I89-T99 WeakPolarHBondContact O-CG2 3.48Å; I89-E102 HydrophobicContact CD1-CB 3.25Å; I89-E102 HydrophobicContact CD1-CG 3.54Å
90	F	68.5	Low	79.3	Confident	9 Å²	9	42.1 Å²	42.1	4%	0.039	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-63	-12.9	168.5	-71.5	-92.2	0	0	0	113.3	T86 P87 G88 I103 C106 I137 M140	T86-F90 VanDerWaalsContact CB-CE2 3.47Å; T86-F90 HydrophobicContact CG2-CD2 4.23Å; T86-F90 HydrophobicContact CG2-CE2 3.74Å; T86-F90 HydrophobicContact CG2-CZ 4.03Å; P87-F90 HydrophobicContact CG-CD2 4.46Å; P87-F90 HydrophobicContact CG-CE2 4.22Å; P87-F90 WeakPolarHBondContact O-CD2 3.49Å; G88-F90 PolarHBondContact O-N 2.96Å; F90-I103 HydrophobicContact CD1-CG1 4.03Å; F90-I103 HydrophobicContact CE1-CB 4.24Å; F90-I103 HydrophobicContact CE1-CG1 3.5Å; F90-I103 VanDerWaalsContact CE1-CG1 3.5Å; F90-I103 HydrophobicContact CZ-CG1 4.01Å; F90-C106 HydrophobicContact CZ-CB 3.94Å; F90-I137 HydrophobicContact CB-CG1 4.37Å; F90-I137 WeakPolarHBondContact O-CG1 3.42Å; F90-M140 HydrophobicContact CD1-CE 3.47Å; F90-M140 VanDerWaalsContact CD1-CE 3.47Å; F90-M140 HydrophobicContact CD1-SD 3.67Å; F90-M140 HydrophobicContact CE1-CE 3.8Å; F90-M140 HydrophobicContact CE1-SD 3.93Å
91	D	68.2	Low	78.9	Confident	24 Å²	24	41.7 Å²	41.7	13%	0.128	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-93.8	-11	176.1	63.9	15.4	0	0	0	114.8	K38 T39 G88 I89 A133 K136	K38-D91 VanDerWaalsContact CA-OD2 3.29Å; K38-D91 WeakPolarHBondContact CA-OD2 3.43Å; K38-D91 HydrophobicContact CB-CB 4.47Å; K38-D91 HydrophobicContact CG-CB 4.38Å; K38-D91 WeakPolarHBondContact CG-OD2 3.3Å; T39-D91 PolarHBondContact N-OD2 2.9Å; T39-D91 PolarHBondContact OG1-OD2 3Å; T39-D91 VanDerWaalsContact OG1-OD2 3.11Å; G88-D91 WeakPolarHBondContact O-CB 3.35Å; G88-D91 PolarHBondContact O-N 2.94Å; I89-D91 PolarHBondContact O-N 3.17Å; D91-A133 HydrophobicContact CB-CB 3.53Å; D91-K136 PolarHBondContact O-NZ 3.4Å
92	T	65.6	Low	78.4	Confident	52 Å²	52	42.2 Å²	42.2	32%	0.319	24%	0.239	S	C	.	.			trans	-71.9	144.6	-170.1	57.4	0	0	0	0	113.4	I89 T99 K136	I89-T92 PolarHBondContact O-N 3.2Å; I89-T92 PolarHBondContact O-OG1 2.65Å; T92-T99 PolarHBondContact OG1-OG1 2.93Å; T92-K136 VanDerWaalsContact O-CD 3.25Å; T92-K136 WeakPolarHBondContact O-CD 3.38Å
93	E	58.8	Low	77.9	Confident	142 Å²	142	43.9 Å²	43.9	66%	0.664	25%	0.248	S	C	*	.	S	Bend	trans	-65.4	-35.3	-179.2	-74.5	-172.9	170.2	0	0	114.1	K136	E93-K136 VanDerWaalsContact N-NZ 3.14Å
94	V	59.8	Low	77.4	Confident	107 Å²	107	44.3 Å²	44.3	65%	0.648	25%	0.25	S	S	*	.	S	Bend	trans	-119.1	110.8	-176.2	-175.1	0	0	0	0	107.9	N96	V94-N96 PolarHBondContact O-N 3.06Å
95	P	63.2	Low	77.1	Confident	88 Å²	88	46.7 Å²	46.7	57%	0.571	26%	0.259	S	S	*	.			trans	-56.4	110.2	166.7	-21.3	32.3	0	0	0	108.5	T99	P95-T99 HydrophobicContact CB-CG2 4.39Å
96	N	71	Confident	76.8	Confident	77 Å²	77	46.8 Å²	46.8	41%	0.412	26%	0.26	S	S	.	.			trans	-95.5	176.6	169.1	70.2	19.7	0	0	0	109.1	V94 E98 T99 S100	V94-N96 PolarHBondContact O-N 3.06Å; N96-E98 PolarHBondContact O-N 2.72Å; N96-E98 VanDerWaalsContact O-N 3.16Å; N96-E98 WeakPolarHBondContact OD1-CA 3.12Å; N96-E98 WeakPolarHBondContact OD1-CB 3.4Å; N96-E98 PolarHBondContact OD1-N 3.29Å; N96-T99 PolarHBondContact O-N 3.43Å; N96-T99 PolarHBondContact OD1-N 2.98Å; N96-T99 PolarHBondContact OD1-OG1 3.31Å; N96-S100 PolarHBondContact O-N 3.19Å; N96-S100 PolarHBondContact O-OG 3.29Å
97	A	77.1	Confident	76.8	Confident	82 Å²	82	47.4 Å²	47.4	68%	0.678	26%	0.263	S	S	*	.	H	α-helix	trans	-56.3	-33	-179.9	0	0	0	0	0	112.9	K101	A97-K101 VanDerWaalsContact O-CB 3.3Å; A97-K101 WeakPolarHBondContact O-CB 3.47Å; A97-K101 PolarHBondContact O-N 3.13Å
98	E	76.9	Confident	77.1	Confident	139 Å²	139	47.4 Å²	47.4	65%	0.65	26%	0.263	S	S	*	.	H	α-helix	trans	-70.5	-43.6	176.2	-56.8	-175.4	162.4	0	0	111.3	N96 K101 E102	N96-E98 PolarHBondContact O-N 2.72Å; N96-E98 VanDerWaalsContact O-N 3.16Å; N96-E98 WeakPolarHBondContact OD1-CA 3.12Å; N96-E98 WeakPolarHBondContact OD1-CB 3.4Å; N96-E98 PolarHBondContact OD1-N 3.29Å; E98-K101 PolarHBondContact O-N 3.12Å; E98-E102 WeakPolarHBondContact O-CG 3.22Å; E98-E102 PolarHBondContact O-N 2.93Å
99	T	76.9	Confident	77.7	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-49.9	175.2	-55	0	0	0	0	111	I89 T92 P95 N96 K101 E102 I103	I89-T99 WeakPolarHBondContact O-CG2 3.48Å; T92-T99 PolarHBondContact OG1-OG1 2.93Å; P95-T99 HydrophobicContact CB-CG2 4.39Å; N96-T99 PolarHBondContact O-N 3.43Å; N96-T99 PolarHBondContact OD1-N 2.98Å; N96-T99 PolarHBondContact OD1-OG1 3.31Å; T99-K101 VanDerWaalsContact C-N 3.33Å; T99-K101 PolarHBondContact O-N 3.37Å; T99-E102 PolarHBondContact O-N 3.37Å; T99-I103 HydrophobicContact CG2-CD1 3.92Å; T99-I103 VanDerWaalsContact O-CG1 3.27Å; T99-I103 WeakPolarHBondContact O-CG1 3.5Å; T99-I103 PolarHBondContact O-N 3.22Å
100	S	80	Confident	78.8	Confident	49 Å²	49	46.4 Å²	46.4	34%	0.343	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-40.6	177.2	-59.4	0	0	0	0	112.3	N96 E102 I103 I104	N96-S100 PolarHBondContact O-N 3.19Å; N96-S100 PolarHBondContact O-OG 3.29Å; S100-E102 VanDerWaalsContact C-N 3.34Å; S100-E102 PolarHBondContact O-N 2.95Å; S100-I103 PolarHBondContact O-N 3.48Å; S100-I104 VanDerWaalsContact O-CG1 3.29Å; S100-I104 WeakPolarHBondContact O-CG1 3.46Å; S100-I104 PolarHBondContact O-N 3.26Å
101	K	84.5	Confident	79.9	Confident	59 Å²	59	46.1 Å²	46.1	26%	0.257	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-44.4	177.7	178.8	164.5	177.3	151.8	0	111.5	A97 E98 T99 I104 R105 E309 M312	A97-K101 VanDerWaalsContact O-CB 3.3Å; A97-K101 WeakPolarHBondContact O-CB 3.47Å; A97-K101 PolarHBondContact O-N 3.13Å; E98-K101 PolarHBondContact O-N 3.12Å; T99-K101 VanDerWaalsContact C-N 3.33Å; T99-K101 PolarHBondContact O-N 3.37Å; K101-I104 PolarHBondContact O-N 2.96Å; K101-R105 WeakPolarHBondContact O-CB 3.48Å; K101-R105 PolarHBondContact O-N 3.45Å; K101-E309 VanDerWaalsContact NZ-CD 3.28Å; K101-E309 IonicContact NZ-OE1 3.42Å; K101-E309 PolarHBondContact NZ-OE1 2.93Å; K101-E309 IonicContact NZ-OE2 2.69Å; K101-E309 PolarHBondContact NZ-OE2 3.26Å; K101-M312 HydrophobicContact CG-SD 4.46Å
102	E	85.7	Confident	81.1	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-78.2	-28.3	-177.7	-68	-59.8	139.1	0	0	113.5	K68 C69 P87 I89 E98 T99 S100 R105 C106	K68-E102 VanDerWaalsContact CA-OE2 3.22Å; K68-E102 WeakPolarHBondContact CA-OE2 3.49Å; C69-E102 PolarHBondContact N-OE2 2.94Å; C69-E102 PolarHBondContact SG-O 3.47Å; P87-E102 HydrophobicContact CG-CB 4.22Å; P87-E102 HydrophobicContact CG-CG 4.29Å; I89-E102 HydrophobicContact CD1-CB 3.25Å; I89-E102 HydrophobicContact CD1-CG 3.54Å; E98-E102 WeakPolarHBondContact O-CG 3.22Å; E98-E102 PolarHBondContact O-N 2.93Å; T99-E102 PolarHBondContact O-N 3.37Å; S100-E102 VanDerWaalsContact C-N 3.34Å; S100-E102 PolarHBondContact O-N 2.95Å; E102-R105 PolarHBondContact O-N 3.43Å; E102-R105 IonicContact OE1-NH1 3.95Å; E102-R105 WeakPolarHBondContact OE2-CD 3.41Å; E102-C106 WeakPolarHBondContact O-CB 3.39Å; E102-C106 PolarHBondContact O-N 3.1Å
103	I	84.3	Confident	82.5	Confident	37 Å²	37	44.2 Å²	44.2	19%	0.19	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-49.4	166.5	-68.3	164.8	0	0	0	109.8	F90 T99 S100 R105 C106 I107 M140	F90-I103 HydrophobicContact CD1-CG1 4.03Å; F90-I103 HydrophobicContact CE1-CB 4.24Å; F90-I103 HydrophobicContact CE1-CG1 3.5Å; F90-I103 VanDerWaalsContact CE1-CG1 3.5Å; F90-I103 HydrophobicContact CZ-CG1 4.01Å; T99-I103 HydrophobicContact CG2-CD1 3.92Å; T99-I103 VanDerWaalsContact O-CG1 3.27Å; T99-I103 WeakPolarHBondContact O-CG1 3.5Å; T99-I103 PolarHBondContact O-N 3.22Å; S100-I103 PolarHBondContact O-N 3.48Å; I103-R105 VanDerWaalsContact C-N 3.32Å; I103-R105 PolarHBondContact O-N 3.23Å; I103-C106 WeakPolarHBondContact O-CB 3.43Å; I103-C106 PolarHBondContact O-N 3.47Å; I103-I107 HydrophobicContact CG2-CD1 4.11Å; I103-I107 WeakPolarHBondContact O-CG1 3.42Å; I103-I107 PolarHBondContact O-N 3.24Å; I103-M140 HydrophobicContact CD1-CG 4.45Å; I103-M140 HydrophobicContact CD1-SD 3.53Å; I103-M140 VanDerWaalsContact CD1-SD 3.53Å; I103-M140 HydrophobicContact CG1-SD 3.66Å; I103-M140 HydrophobicContact CG2-SD 4.22Å
104	I	87.6	Confident	84.3	Confident	9 Å²	9	37.5 Å²	37.5	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-41.1	178.3	-65.8	169.1	0	0	0	110.5	S100 K101 C106 I107 L108 M312 L315 Q316	S100-I104 VanDerWaalsContact O-CG1 3.29Å; S100-I104 WeakPolarHBondContact O-CG1 3.46Å; S100-I104 PolarHBondContact O-N 3.26Å; K101-I104 PolarHBondContact O-N 2.96Å; I104-C106 VanDerWaalsContact C-N 3.33Å; I104-C106 PolarHBondContact O-N 2.95Å; I104-I107 WeakPolarHBondContact O-CB 3.25Å; I104-I107 PolarHBondContact O-N 3.02Å; I104-L108 HydrophobicContact CG2-CD1 4.13Å; I104-L108 HydrophobicContact CG2-CG 4.43Å; I104-L108 WeakPolarHBondContact O-CG 3.31Å; I104-L108 PolarHBondContact O-N 3.32Å; I104-M312 HydrophobicContact CG2-CB 4.25Å; I104-M312 HydrophobicContact CG2-CG 3.89Å; I104-L315 HydrophobicContact CD1-CB 4.4Å; I104-L315 HydrophobicContact CG2-CB 3.94Å; I104-L315 HydrophobicContact CG2-CD1 3.74Å; I104-Q316 HydrophobicContact CD1-CB 4.27Å; I104-Q316 HydrophobicContact CD1-CG 3.31Å
105	R	89.6	Confident	86.1	Confident	50 Å²	50	33.4 Å²	33.4	19%	0.189	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-45.2	174.1	-166.4	-174.3	-171.6	111.3	13.5	111.6	C69 K101 E102 I103 I107 L108 L109 M312	C69-R105 HydrophobicContact CB-CB 4.5Å; C69-R105 HydrophobicContact CB-CG 4.22Å; C69-R105 PolarHBondContact O-NE 3.16Å; K101-R105 WeakPolarHBondContact O-CB 3.48Å; K101-R105 PolarHBondContact O-N 3.45Å; E102-R105 PolarHBondContact O-N 3.43Å; E102-R105 IonicContact OE1-NH1 3.95Å; E102-R105 WeakPolarHBondContact OE2-CD 3.41Å; I103-R105 VanDerWaalsContact C-N 3.32Å; I103-R105 PolarHBondContact O-N 3.23Å; R105-I107 VanDerWaalsContact C-N 3.34Å; R105-I107 PolarHBondContact O-N 3.21Å; R105-L108 PolarHBondContact O-N 3.29Å; R105-L109 HydrophobicContact CG-CD1 4.09Å; R105-L109 HydrophobicContact CG-CG 4.49Å; R105-L109 WeakPolarHBondContact O-CB 3.47Å; R105-L109 VanDerWaalsContact O-CG 3.24Å; R105-L109 WeakPolarHBondContact O-CG 3.35Å; R105-L109 PolarHBondContact O-N 2.88Å; R105-M312 HydrophobicContact CB-SD 4.23Å
106	C	89.9	Confident	87.7	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-45.5	176	-177.5	0	0	0	0	111.5	F90 E102 I103 I104 L109 T110	F90-C106 HydrophobicContact CZ-CB 3.94Å; E102-C106 WeakPolarHBondContact O-CB 3.39Å; E102-C106 PolarHBondContact O-N 3.1Å; I103-C106 WeakPolarHBondContact O-CB 3.43Å; I103-C106 PolarHBondContact O-N 3.47Å; I104-C106 VanDerWaalsContact C-N 3.33Å; I104-C106 PolarHBondContact O-N 2.95Å; C106-L109 PolarHBondContact O-N 2.94Å; C106-T110 WeakPolarHBondContact O-CB 3.43Å; C106-T110 WeakPolarHBondContact O-CG2 3.42Å; C106-T110 PolarHBondContact O-N 3.44Å; C106-T110 PolarHBondContact O-OG1 2.9Å
107	I	90.5	Very high	89	Confident	13 Å²	13	25.5 Å²	25.5	7%	0.067	14%	0.141	C	C	.	.	H	α-helix	trans	-58.5	-50.9	177	-69.1	169.4	0	0	0	109.8	I103 I104 R105 L109 T110 S111 M225 Y226 A229	I103-I107 HydrophobicContact CG2-CD1 4.11Å; I103-I107 WeakPolarHBondContact O-CG1 3.42Å; I103-I107 PolarHBondContact O-N 3.24Å; I104-I107 WeakPolarHBondContact O-CB 3.25Å; I104-I107 PolarHBondContact O-N 3.02Å; R105-I107 VanDerWaalsContact C-N 3.34Å; R105-I107 PolarHBondContact O-N 3.21Å; I107-L109 PolarHBondContact O-N 3.14Å; I107-T110 CarbonylContact O-C 3.51Å; I107-T110 PolarHBondContact O-N 3.22Å; I107-T110 VanDerWaalsContact O-N 3.1Å; I107-T110 PolarHBondContact O-OG1 2.75Å; I107-S111 PolarHBondContact O-N 3.21Å; I107-S111 PolarHBondContact O-OG 2.84Å; I107-M225 HydrophobicContact CD1-CB 3.87Å; I107-Y226 HydrophobicContact CB-CD1 4.48Å; I107-Y226 HydrophobicContact CB-CE1 4.11Å; I107-Y226 HydrophobicContact CG1-CE1 4.21Å; I107-Y226 HydrophobicContact CG1-CE2 4.05Å; I107-Y226 HydrophobicContact CG2-CD1 3.71Å; I107-Y226 HydrophobicContact CG2-CE1 3.83Å; I107-Y226 HydrophobicContact CG2-CG 4.09Å; I107-A229 HydrophobicContact CG2-CB 3.6Å
108	L	91.9	Very high	90	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-41.7	-179.4	-70.8	173.1	0	0	0	113.6	I104 R105 T110 A229 I233 L308 I311 M312 L315	I104-L108 HydrophobicContact CG2-CD1 4.13Å; I104-L108 HydrophobicContact CG2-CG 4.43Å; I104-L108 WeakPolarHBondContact O-CG 3.31Å; I104-L108 PolarHBondContact O-N 3.32Å; R105-L108 PolarHBondContact O-N 3.29Å; L108-T110 PolarHBondContact O-N 2.84Å; L108-A229 HydrophobicContact CD2-CB 3.96Å; L108-I233 HydrophobicContact CD2-CD1 3.92Å; L108-I233 HydrophobicContact CD2-CG1 4.17Å; L108-L308 HydrophobicContact CB-CD2 4.36Å; L108-L308 HydrophobicContact CD1-CD2 4.35Å; L108-I311 HydrophobicContact CD1-CB 4.44Å; L108-I311 HydrophobicContact CD1-CG2 4.25Å; L108-I311 HydrophobicContact CD2-CB 4.25Å; L108-I311 HydrophobicContact CD2-CG2 3.39Å; L108-I311 HydrophobicContact CG-CG2 4.46Å; L108-M312 HydrophobicContact CD1-CB 4.3Å; L108-M312 HydrophobicContact CD1-CG 3.19Å; L108-M312 HydrophobicContact CD1-SD 4.28Å; L108-L315 HydrophobicContact CD2-CD1 3.84Å; L108-L315 HydrophobicContact CG-CD1 4.18Å
109	L	91.3	Very high	90.9	Very high	19 Å²	19	15 Å²	15	10%	0.099	8%	0.078	C	C	.	.	H	α-helix	trans	-68	-17.5	179.6	-68.8	173.7	0	0	0	113.2	C69 K71 V84 R105 C106 I107	C69-L109 HydrophobicContact CB-CD1 3.9Å; K71-L109 HydrophobicContact CB-CD1 4.27Å; K71-L109 HydrophobicContact CB-CD2 4.1Å; K71-L109 HydrophobicContact CD-CB 4.43Å; K71-L109 HydrophobicContact CD-CD2 4.13Å; V84-L109 HydrophobicContact CG1-CD1 4.34Å; V84-L109 HydrophobicContact CG2-CB 4.02Å; R105-L109 HydrophobicContact CG-CD1 4.09Å; R105-L109 HydrophobicContact CG-CG 4.49Å; R105-L109 WeakPolarHBondContact O-CB 3.47Å; R105-L109 VanDerWaalsContact O-CG 3.24Å; R105-L109 WeakPolarHBondContact O-CG 3.35Å; R105-L109 PolarHBondContact O-N 2.88Å; C106-L109 PolarHBondContact O-N 2.94Å; I107-L109 PolarHBondContact O-N 3.14Å
110	T	92.4	Very high	91.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-121.3	-2.6	-172.6	60	0	0	0	0	114	R32 V34 V84 C106 I107 L108 G113 Y226	R32-T110 WeakPolarHBondContact CD-O 3.31Å; R32-T110 PolarHBondContact NE-O 3.41Å; V34-T110 HydrophobicContact CG2-CG2 3.49Å; V34-T110 VanDerWaalsContact CG2-CG2 3.49Å; V84-T110 HydrophobicContact CB-CG2 3.92Å; V84-T110 HydrophobicContact CG1-CG2 4.44Å; V84-T110 HydrophobicContact CG2-CG2 3.42Å; V84-T110 VanDerWaalsContact CG2-CG2 3.42Å; C106-T110 WeakPolarHBondContact O-CB 3.43Å; C106-T110 WeakPolarHBondContact O-CG2 3.42Å; C106-T110 PolarHBondContact O-N 3.44Å; C106-T110 PolarHBondContact O-OG1 2.9Å; I107-T110 CarbonylContact O-C 3.51Å; I107-T110 PolarHBondContact O-N 3.22Å; I107-T110 VanDerWaalsContact O-N 3.1Å; I107-T110 PolarHBondContact O-OG1 2.75Å; L108-T110 PolarHBondContact O-N 2.84Å; T110-G113 CarbonylContact O-C 3.48Å; T110-G113 WeakPolarHBondContact O-CA 3.37Å; T110-G113 PolarHBondContact O-N 2.85Å; T110-G113 VanDerWaalsContact O-O 3.14Å; T110-Y226 VanDerWaalsContact OG1-CE1 3.32Å; T110-Y226 WeakPolarHBondContact OG1-CE1 3.48Å; T110-Y226 PolarHBondContact OG1-OH 3.33Å
111	S	93	Very high	92.5	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.021	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	135.1	172.1	-69.7	0	0	0	0	111.4	I107 G113 A229 R298	I107-S111 PolarHBondContact O-N 3.21Å; I107-S111 PolarHBondContact O-OG 2.84Å; S111-G113 VanDerWaalsContact C-N 3.31Å; S111-G113 VanDerWaalsContact CA-N 3.35Å; S111-A229 WeakPolarHBondContact OG-CB 3.47Å; S111-R298 PolarHBondContact O-NH2 2.81Å
112	P	93.9	Very high	93	Very high	36 Å²	36	10.7 Å²	10.7	23%	0.234	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	cis	-79.4	-1.4	11.9	33	-38	0	0	0	115.3	T222 E230	P112-T222 PolarHBondContact O-OG1 2.92Å; P112-E230 HydrophobicContact CB-CB 4.4Å; P112-E230 HydrophobicContact CB-CG 4.02Å
113	G	94.4	Very high	93.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.			trans	156.3	150.2	-175.8	0	0	0	0	0	113.1	R32 T110 S111 C220 Y221	R32-G113 PolarHBondContact NE-O 2.82Å; R32-G113 PolarHBondContact NH2-O 3.34Å; T110-G113 CarbonylContact O-C 3.48Å; T110-G113 WeakPolarHBondContact O-CA 3.37Å; T110-G113 PolarHBondContact O-N 2.85Å; T110-G113 VanDerWaalsContact O-O 3.14Å; S111-G113 VanDerWaalsContact C-N 3.31Å; S111-G113 VanDerWaalsContact CA-N 3.35Å; G113-C220 WeakPolarHBondContact O-CB 3.32Å; G113-Y221 WeakPolarHBondContact CA-O 3.12Å
114	P	96	Very high	93.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.066	C	C	.	.			trans	-71.3	144.5	172.3	29.1	-33.6	0	0	0	111.8	R32 V34 L117 C220 Y221 Y226	R32-P114 CarbonylContact O-C 3.57Å; V34-P114 HydrophobicContact CB-CB 4.49Å; V34-P114 HydrophobicContact CG2-CB 3.87Å; V34-P114 HydrophobicContact CG2-CG 4.29Å; P114-L117 HydrophobicContact CG-CD1 4.42Å; P114-L117 HydrophobicContact CG-CD2 4.05Å; P114-L117 HydrophobicContact CG-CG 4.03Å; P114-C220 WeakPolarHBondContact O-CB 3.44Å; P114-Y221 HydrophobicContact CG-CD1 4.08Å; P114-Y221 PolarHBondContact O-N 2.83Å; P114-Y226 VanDerWaalsContact CD-CZ 3.45Å; P114-Y226 WeakPolarHBondContact CD-OH 3.37Å
115	H	97.3	Very high	93.7	Very high	21 Å²	21	21.4 Å²	21.4	10%	0.097	11%	0.105	C	C	.	.	S	Bend	trans	-81.2	-25.9	170.7	-66.8	130.7	0	0	0	112.3	Q30 L31 R32 V213 C220	Q30-H115 PolarHBondContact O-CE1 3.13Å; Q30-H115 PolarHBondContact O-ND1 2.94Å; L31-H115 WeakPolarHBondContact CA-ND1 3.47Å; L31-H115 HydrophobicContact CD1-CB 3.58Å; R32-H115 PolarHBondContact N-ND1 3.41Å; R32-H115 PolarHBondContact NH1-CE1 3.25Å; R32-H115 PolarHBondContact NH2-CE1 3.22Å; R32-H115 PolarHBondContact NH2-NE2 2.89Å; R32-H115 WeakPolarHBondContact O-CB 3.43Å; R32-H115 PolarHBondContact O-N 3.03Å; H115-V213 HydrophobicContact CB-CG2 3.81Å; H115-C220 VanDerWaalsContact CD2-CB 3.46Å; H115-C220 WeakPolarHBondContact CD2-CB 3.41Å
116	A	97.8	Very high	93.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.9	171.1	0	0	0	0	0	111.5	R32 I33 V34 L118 F148 I150 I209	R32-A116 PolarHBondContact O-N 2.9Å; I33-A116 WeakPolarHBondContact CA-O 3.5Å; V34-A116 PolarHBondContact N-O 2.86Å; A116-L118 HydrophobicContact CB-CD2 4.32Å; A116-F148 WeakPolarHBondContact CA-O 3.3Å; A116-I150 HydrophobicContact CB-CD1 4.43Å; A116-I209 HydrophobicContact CB-CG1 4.31Å; A116-I209 HydrophobicContact CB-CG2 3.91Å
117	L	96.9	Very high	93.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.3	174.4	-75.7	158.2	0	0	0	107.8	V34 P114 F141 A145 F148 M149 I150 Y221	V34-L117 HydrophobicContact CB-CD2 3.85Å; V34-L117 HydrophobicContact CG1-CD2 4.12Å; P114-L117 HydrophobicContact CG-CD1 4.42Å; P114-L117 HydrophobicContact CG-CD2 4.05Å; P114-L117 HydrophobicContact CG-CG 4.03Å; L117-F141 HydrophobicContact CD1-CD1 4.08Å; L117-F141 HydrophobicContact CD1-CE1 4.37Å; L117-F141 HydrophobicContact CD1-CG 4.27Å; L117-F141 HydrophobicContact CD2-CD1 4.1Å; L117-F141 HydrophobicContact CD2-CD2 4.43Å; L117-F141 HydrophobicContact CD2-CE1 3.57Å; L117-F141 HydrophobicContact CD2-CE2 3.95Å; L117-F141 HydrophobicContact CD2-CZ 3.49Å; L117-F141 VanDerWaalsContact CD2-CZ 3.49Å; L117-A145 HydrophobicContact CD1-CB 3.87Å; L117-F148 HydrophobicContact CD1-CB 4.48Å; L117-F148 PolarHBondContact N-O 2.99Å; L117-M149 HydrophobicContact CB-CG 3.67Å; L117-M149 HydrophobicContact CD1-CG 4.24Å; L117-M149 CarbonylContact O-C 3.47Å; L117-M149 VanDerWaalsContact O-CA 3.24Å; L117-M149 WeakPolarHBondContact O-CA 3.29Å; L117-I150 PolarHBondContact O-N 3.45Å; L117-Y221 HydrophobicContact CD1-CD1 4.2Å; L117-Y221 HydrophobicContact CD1-CG 4.31Å
118	L	97.9	Very high	93.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	108.8	-178.9	-53	-169.5	0	0	0	109.4	I33 V34 L35 V36 I50 A116 V120 I150 I152 L205 I209	I33-L118 HydrophobicContact CG2-CD1 3.72Å; I33-L118 HydrophobicContact CG2-CG 3.69Å; V34-L118 PolarHBondContact O-N 2.95Å; L35-L118 HydrophobicContact CD2-CB 3.91Å; L35-L118 HydrophobicContact CD2-CD1 3.68Å; L35-L118 HydrophobicContact CD2-CG 4.08Å; V36-L118 PolarHBondContact N-O 2.8Å; I50-L118 HydrophobicContact CD1-CD1 3.51Å; A116-L118 HydrophobicContact CB-CD2 4.32Å; L118-V120 PolarHBondContact O-N 2.98Å; L118-I150 WeakPolarHBondContact CA-O 3.35Å; L118-I150 HydrophobicContact CD2-CB 3.68Å; L118-I150 HydrophobicContact CD2-CD1 3.74Å; L118-I150 HydrophobicContact CD2-CG1 4.15Å; L118-I150 HydrophobicContact CD2-CG2 4.27Å; L118-I152 HydrophobicContact CB-CG1 3.91Å; L118-I152 HydrophobicContact CD1-CG1 4.2Å; L118-I152 HydrophobicContact CD2-CG1 4.36Å; L118-I152 HydrophobicContact CG-CG1 4.38Å; L118-L205 HydrophobicContact CD1-CD1 4.41Å; L118-I209 HydrophobicContact CD1-CD1 4.3Å; L118-I209 HydrophobicContact CD2-CD1 4.42Å; L118-I209 HydrophobicContact CD2-CG1 4.32Å
119	L	96.5	Very high	93.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.3	170.5	178.6	65.7	0	0	0	108.6	V36 V121 T134 I137 M149 I150 L151 I152 L178 F182	V36-L119 HydrophobicContact CG2-CB 4.49Å; V36-L119 HydrophobicContact CG2-CD1 4.25Å; L119-V121 HydrophobicContact CG-CG2 4.24Å; L119-T134 HydrophobicContact CD2-CG2 3.49Å; L119-T134 VanDerWaalsContact CD2-CG2 3.49Å; L119-I137 HydrophobicContact CD1-CD1 4Å; L119-I137 HydrophobicContact CD1-CG2 4.37Å; L119-M149 HydrophobicContact CB-CE 4.14Å; L119-I150 PolarHBondContact N-O 2.82Å; L119-L151 HydrophobicContact CB-CD1 4.49Å; L119-L151 HydrophobicContact CD2-CD1 4.08Å; L119-L151 HydrophobicContact CG-CD1 4.26Å; L119-I152 PolarHBondContact O-N 3.29Å; L119-L178 HydrophobicContact CD2-CD1 4.5Å; L119-L178 HydrophobicContact CD2-CD2 4.36Å; L119-F182 HydrophobicContact CB-CE2 4.01Å; L119-F182 HydrophobicContact CB-CZ 4.38Å; L119-F182 HydrophobicContact CD2-CE2 3.89Å; L119-F182 HydrophobicContact CD2-CZ 3.94Å
120	V	96.5	Very high	93.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.5	-175.5	-170.6	0	0	0	0	109.8	V36 A41 K43 L118 I152 T154	V36-V120 PolarHBondContact O-N 3.4Å; A41-V120 HydrophobicContact CB-CG1 4.32Å; A41-V120 VanDerWaalsContact CB-O 3.28Å; A41-V120 WeakPolarHBondContact CB-O 3.27Å; A41-V120 WeakPolarHBondContact O-CG1 3.44Å; K43-V120 HydrophobicContact CG-CB 4.01Å; K43-V120 HydrophobicContact CG-CG2 4.07Å; L118-V120 PolarHBondContact O-N 2.98Å; V120-I152 WeakPolarHBondContact CA-O 3.31Å; V120-I152 HydrophobicContact CG2-CB 4.42Å; V120-T154 HydrophobicContact CG1-CG2 3.36Å
121	V	94.9	Very high	93.5	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.3	179	-178	0	0	0	0	108.2	L119 Y126 L151 I152 F153 T154	L119-V121 HydrophobicContact CG-CG2 4.24Å; V121-Y126 HydrophobicContact CG1-CD2 3.85Å; V121-Y126 HydrophobicContact CG1-CE2 3.89Å; V121-L151 HydrophobicContact CB-CD1 4.38Å; V121-L151 HydrophobicContact CG2-CD1 3.8Å; V121-I152 PolarHBondContact N-O 3.43Å; V121-I152 VanDerWaalsContact O-O 3.11Å; V121-F153 CarbonylContact O-C 3.34Å; V121-F153 WeakPolarHBondContact O-CA 3.3Å; V121-T154 PolarHBondContact O-N 2.87Å
122	P	93.9	Very high	93.3	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.104	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	147.3	174.2	31.4	-33.4	0	0	0	111.2	E130 T154	P122-E130 WeakPolarHBondContact CG-OE1 3.21Å; P122-T154 WeakPolarHBondContact CA-OG1 3.23Å
123	L	94.1	Very high	93.1	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	19%	0.19	C	C	.	.	S	Bend	trans	-66.6	154.5	164.2	-72.4	164.6	0	0	0	110.7	F153 T154 K156 L159 L164 Y167 A188	L123-F153 HydrophobicContact CD1-CB 4.28Å; L123-F153 HydrophobicContact CD2-CB 3.9Å; L123-F153 HydrophobicContact CD2-CD1 3.73Å; L123-F153 HydrophobicContact CD2-CG 3.96Å; L123-F153 HydrophobicContact CG-CB 3.86Å; L123-F153 HydrophobicContact CG-CD1 4.3Å; L123-F153 HydrophobicContact CG-CG 4.42Å; L123-T154 WeakPolarHBondContact CB-O 3.45Å; L123-T154 VanDerWaalsContact CG-O 3.31Å; L123-T154 WeakPolarHBondContact CG-O 3.4Å; L123-T154 PolarHBondContact N-O 3.4Å; L123-K156 HydrophobicContact CD1-CB 4.48Å; L123-L159 HydrophobicContact CD1-CD1 3.96Å; L123-L159 HydrophobicContact CD1-CD2 4.27Å; L123-L159 HydrophobicContact CD1-CG 3.85Å; L123-L164 HydrophobicContact CD2-CD1 4.22Å; L123-Y167 HydrophobicContact CD2-CD1 3.89Å; L123-Y167 HydrophobicContact CD2-CE1 3.46Å; L123-Y167 VanDerWaalsContact CD2-CE1 3.46Å; L123-A188 HydrophobicContact CD1-CB 4.46Å
124	G	91	Very high	92.9	Very high	41 Å²	41	40 Å²	40	42%	0.423	19%	0.192	S	C	.	.	S	Bend	trans	110.5	-150.2	-172.6	0	0	0	0	0	112.2	Y126 Y167	G124-Y126 PolarHBondContact O-N 3.1Å; G124-Y167 WeakPolarHBondContact CA-OH 3.43Å; G124-Y167 PolarHBondContact N-OH 3.38Å; G124-Y167 PolarHBondContact O-OH 3.26Å
125	R	88.9	Confident	92.6	Very high	232 Å²	232	43.6 Å²	43.6	88%	0.875	21%	0.209	S	C	*	.			trans	-66.4	119.6	-176.8	-65.1	-178.1	-177	177.7	0.3	110.3	E130	R125-E130 VanDerWaalsContact O-OE2 3.12Å
126	Y	90.6	Very high	92	Very high	33 Å²	33	45.2 Å²	45.2	13%	0.129	22%	0.216	C	C	.	.			trans	-83.8	111.7	166.8	-167.5	-113.1	0	0	0	109	V121 G124 E130 H131 T134 D174 I175	V121-Y126 HydrophobicContact CG1-CD2 3.85Å; V121-Y126 HydrophobicContact CG1-CE2 3.89Å; G124-Y126 PolarHBondContact O-N 3.1Å; Y126-E130 WeakPolarHBondContact CA-OE2 3.36Å; Y126-E130 HydrophobicContact CD2-CB 3.91Å; Y126-E130 HydrophobicContact CE2-CB 3.74Å; Y126-H131 HydrophobicContact CE1-CB 3.76Å; Y126-H131 WeakPolarHBondContact OH-CA 3.31Å; Y126-T134 PolarHBondContact OH-OG1 3.04Å; Y126-D174 HydrophobicContact CD1-CB 4.07Å; Y126-D174 HydrophobicContact CE1-CB 3.59Å; Y126-I175 HydrophobicContact CD1-CD1 4.08Å; Y126-I175 HydrophobicContact CD1-CG1 4.04Å; Y126-I175 HydrophobicContact CD2-CD1 3.56Å; Y126-I175 HydrophobicContact CD2-CG1 4.23Å; Y126-I175 HydrophobicContact CE1-CD1 4.13Å; Y126-I175 HydrophobicContact CE1-CG1 4.41Å; Y126-I175 HydrophobicContact CE2-CD1 3.62Å; Y126-I175 HydrophobicContact CG-CD1 3.77Å; Y126-I175 HydrophobicContact CG-CG1 3.91Å
127	T	90.5	Very high	91.5	Very high	55 Å²	55	45.3 Å²	45.3	34%	0.337	22%	0.216	S	C	.	.			trans	-94	155	-173.7	58.6	0	0	0	0	111.6	E129 E130 H131	T127-E129 PolarHBondContact O-N 2.76Å; T127-E129 VanDerWaalsContact O-N 3.1Å; T127-E130 PolarHBondContact N-OE2 2.95Å; T127-E130 WeakPolarHBondContact O-CA 3.41Å; T127-E130 WeakPolarHBondContact O-CB 3.27Å; T127-E130 PolarHBondContact O-N 2.83Å; T127-E130 WeakPolarHBondContact OG1-CG 3.36Å; T127-E130 PolarHBondContact OG1-N 3.22Å; T127-E130 PolarHBondContact OG1-OE2 3.48Å; T127-H131 PolarHBondContact O-N 3.45Å
128	E	90.4	Very high	91.1	Very high	129 Å²	129	46.3 Å²	46.3	60%	0.603	22%	0.221	S	C	*	.	H	α-helix	trans	-51	-34.6	171.1	-69.5	-59.7	138.1	0	0	113.1	H131 K132	E128-H131 PolarHBondContact O-N 3.06Å; E128-K132 WeakPolarHBondContact O-CB 3.47Å; E128-K132 VanDerWaalsContact O-CG 3.28Å; E128-K132 WeakPolarHBondContact O-CG 3.34Å; E128-K132 PolarHBondContact O-N 2.92Å
129	E	87.2	Confident	90.5	Very high	129 Å²	129	53.2 Å²	53.2	60%	0.603	25%	0.251	S	S	*	.	H	α-helix	trans	-67.6	-37.8	175.7	-64.9	-179.2	179.4	0	0	112.5	K38 T127 A133	K38-E129 VanDerWaalsContact NZ-CB 3.27Å; K38-E129 IonicContact NZ-OE2 3.45Å; K38-E129 PolarHBondContact NZ-OE2 3.44Å; T127-E129 PolarHBondContact O-N 2.76Å; T127-E129 VanDerWaalsContact O-N 3.1Å; E129-A133 VanDerWaalsContact O-CB 3.3Å; E129-A133 WeakPolarHBondContact O-CB 3.35Å; E129-A133 PolarHBondContact O-N 3.36Å
130	E	89.5	Confident	89.7	Confident	23 Å²	23	56.1 Å²	56.1	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-69.9	-41.2	174.5	-73.1	162.2	143.2	0	0	111	K38 P122 R125 Y126 T127 A133 T134	K38-E130 HydrophobicContact CD-CG 3.65Å; P122-E130 WeakPolarHBondContact CG-OE1 3.21Å; R125-E130 VanDerWaalsContact O-OE2 3.12Å; Y126-E130 WeakPolarHBondContact CA-OE2 3.36Å; Y126-E130 HydrophobicContact CD2-CB 3.91Å; Y126-E130 HydrophobicContact CE2-CB 3.74Å; T127-E130 PolarHBondContact N-OE2 2.95Å; T127-E130 WeakPolarHBondContact O-CA 3.41Å; T127-E130 WeakPolarHBondContact O-CB 3.27Å; T127-E130 PolarHBondContact O-N 2.83Å; T127-E130 WeakPolarHBondContact OG1-CG 3.36Å; T127-E130 PolarHBondContact OG1-N 3.22Å; T127-E130 PolarHBondContact OG1-OE2 3.48Å; E130-A133 PolarHBondContact O-N 3.44Å; E130-T134 WeakPolarHBondContact O-CB 3.4Å; E130-T134 PolarHBondContact O-N 3.48Å; E130-T134 PolarHBondContact O-OG1 3.42Å; E130-T134 VanDerWaalsContact O-OG1 3.06Å
131	H	91.6	Very high	89	Confident	39 Å²	39	56.9 Å²	56.9	18%	0.181	27%	0.269	C	S	.	.	H	α-helix	trans	-55.1	-55.4	171.9	-178.6	87.8	0	0	0	111.6	Y126 T127 E128 A133 T134 E135 D174	Y126-H131 HydrophobicContact CE1-CB 3.76Å; Y126-H131 WeakPolarHBondContact OH-CA 3.31Å; T127-H131 PolarHBondContact O-N 3.45Å; E128-H131 PolarHBondContact O-N 3.06Å; H131-A133 VanDerWaalsContact C-N 3.3Å; H131-A133 PolarHBondContact O-N 2.95Å; H131-T134 WeakPolarHBondContact O-CB 3.28Å; H131-T134 PolarHBondContact O-N 3.25Å; H131-T134 VanDerWaalsContact O-N 3.11Å; H131-E135 IonicContact NE2-OE1 3.66Å; H131-E135 PolarHBondContact O-N 3.3Å; H131-D174 VanDerWaalsContact CE1-CG 3.47Å; H131-D174 IonicContact CE1-OD1 2.76Å; H131-D174 PolarHBondContact CE1-OD1 3.4Å; H131-D174 VanDerWaalsContact CE1-OD1 3.27Å; H131-D174 IonicContact CE1-OD2 3.48Å; H131-D174 IonicContact CG-OD2 3.81Å; H131-D174 IonicContact ND1-OD1 2.72Å; H131-D174 PolarHBondContact ND1-OD1 3.48Å; H131-D174 IonicContact ND1-OD2 2.88Å; H131-D174 PolarHBondContact ND1-OD2 3.3Å
132	K	90.1	Very high	88.5	Confident	97 Å²	97	58 Å²	58	42%	0.422	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-38.8	178	-73.3	175.5	-179.2	-176.7	0	112.8	E128 K136	E128-K132 WeakPolarHBondContact O-CB 3.47Å; E128-K132 VanDerWaalsContact O-CG 3.28Å; E128-K132 WeakPolarHBondContact O-CG 3.34Å; E128-K132 PolarHBondContact O-N 2.92Å; K132-K136 WeakPolarHBondContact O-CE 3.16Å; K132-K136 VanDerWaalsContact O-CG 3.25Å; K132-K136 WeakPolarHBondContact O-CG 3.48Å; K132-K136 PolarHBondContact O-N 3.3Å
133	A	88.5	Confident	88.4	Confident	3 Å²	3	63.7 Å²	63.7	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-46.3	175.6	0	0	0	0	0	111.4	K38 D91 E129 E130 H131 K136 I137	K38-A133 HydrophobicContact CB-CB 4.31Å; K38-A133 HydrophobicContact CG-CB 4.5Å; D91-A133 HydrophobicContact CB-CB 3.53Å; E129-A133 VanDerWaalsContact O-CB 3.3Å; E129-A133 WeakPolarHBondContact O-CB 3.35Å; E129-A133 PolarHBondContact O-N 3.36Å; E130-A133 PolarHBondContact O-N 3.44Å; H131-A133 VanDerWaalsContact C-N 3.3Å; H131-A133 PolarHBondContact O-N 2.95Å; A133-K136 PolarHBondContact O-N 3.35Å; A133-I137 WeakPolarHBondContact O-CG1 3.39Å; A133-I137 PolarHBondContact O-N 2.85Å; A133-I137 VanDerWaalsContact O-N 3.17Å
134	T	91.2	Very high	88.3	Confident	8 Å²	8	73.3 Å²	73.3	5%	0.049	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-48.6	177.8	-65.9	0	0	0	0	111.6	L119 Y126 E130 H131 K136 I137 L138 L178	L119-T134 HydrophobicContact CD2-CG2 3.49Å; L119-T134 VanDerWaalsContact CD2-CG2 3.49Å; Y126-T134 PolarHBondContact OH-OG1 3.04Å; E130-T134 WeakPolarHBondContact O-CB 3.4Å; E130-T134 PolarHBondContact O-N 3.48Å; E130-T134 PolarHBondContact O-OG1 3.42Å; E130-T134 VanDerWaalsContact O-OG1 3.06Å; H131-T134 WeakPolarHBondContact O-CB 3.28Å; H131-T134 PolarHBondContact O-N 3.25Å; H131-T134 VanDerWaalsContact O-N 3.11Å; T134-K136 VanDerWaalsContact C-N 3.28Å; T134-K136 PolarHBondContact O-N 3.04Å; T134-I137 WeakPolarHBondContact O-CB 3.22Å; T134-I137 PolarHBondContact O-N 3.24Å; T134-I137 VanDerWaalsContact O-N 3.11Å; T134-L138 HydrophobicContact CG2-CD1 4.13Å; T134-L138 HydrophobicContact CG2-CG 4.33Å; T134-L138 WeakPolarHBondContact O-CG 3.33Å; T134-L138 PolarHBondContact O-N 2.86Å; T134-L178 HydrophobicContact CG2-CD1 3.81Å; T134-L178 HydrophobicContact CG2-CD2 3.54Å; T134-L178 HydrophobicContact CG2-CG 4.31Å
135	E	90	Very high	88.3	Confident	76 Å²	76	71.4 Å²	71.4	36%	0.355	32%	0.323	S	S	.	.	H	α-helix	trans	-56	-43	178.7	-74.1	-152.9	130.5	0	0	112.5	H131 I137 L138 K139	H131-E135 IonicContact NE2-OE1 3.66Å; H131-E135 PolarHBondContact O-N 3.3Å; E135-I137 VanDerWaalsContact C-N 3.34Å; E135-L138 PolarHBondContact O-N 2.95Å; E135-K139 WeakPolarHBondContact O-CB 3.23Å; E135-K139 VanDerWaalsContact O-CG 3.26Å; E135-K139 WeakPolarHBondContact O-CG 3.47Å; E135-K139 PolarHBondContact O-N 3.02Å; E135-K139 IonicContact OE1-NZ 3.45Å; E135-K139 IonicContact OE2-NZ 3.97Å; E135-K139 PolarHBondContact OE2-NZ 2.97Å
136	K	85.2	Confident	88.6	Confident	55 Å²	55	64.2 Å²	64.2	24%	0.239	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-42.3	178.6	-69.4	172.4	-151.9	161.4	0	111.6	D91 T92 E93 K132 A133 T134 L138 K139 M140	D91-K136 PolarHBondContact O-NZ 3.4Å; T92-K136 VanDerWaalsContact O-CD 3.25Å; T92-K136 WeakPolarHBondContact O-CD 3.38Å; E93-K136 VanDerWaalsContact N-NZ 3.14Å; K132-K136 WeakPolarHBondContact O-CE 3.16Å; K132-K136 VanDerWaalsContact O-CG 3.25Å; K132-K136 WeakPolarHBondContact O-CG 3.48Å; K132-K136 PolarHBondContact O-N 3.3Å; A133-K136 PolarHBondContact O-N 3.35Å; T134-K136 VanDerWaalsContact C-N 3.28Å; T134-K136 PolarHBondContact O-N 3.04Å; K136-L138 VanDerWaalsContact C-N 3.34Å; K136-L138 PolarHBondContact O-N 3.41Å; K136-K139 PolarHBondContact O-N 3.3Å; K136-M140 VanDerWaalsContact O-CB 3.32Å; K136-M140 WeakPolarHBondContact O-CB 3.4Å; K136-M140 PolarHBondContact O-N 3.34Å
137	I	86.6	Confident	88.9	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-46	176.2	-69.1	164.8	0	0	0	110.1	V36 F90 L119 A133 T134 E135 M140 F141 M149	V36-I137 HydrophobicContact CB-CD1 4.35Å; V36-I137 HydrophobicContact CB-CG2 4.03Å; V36-I137 HydrophobicContact CG2-CG2 3.64Å; F90-I137 HydrophobicContact CB-CG1 4.37Å; F90-I137 WeakPolarHBondContact O-CG1 3.42Å; L119-I137 HydrophobicContact CD1-CD1 4Å; L119-I137 HydrophobicContact CD1-CG2 4.37Å; A133-I137 WeakPolarHBondContact O-CG1 3.39Å; A133-I137 PolarHBondContact O-N 2.85Å; A133-I137 VanDerWaalsContact O-N 3.17Å; T134-I137 WeakPolarHBondContact O-CB 3.22Å; T134-I137 PolarHBondContact O-N 3.24Å; T134-I137 VanDerWaalsContact O-N 3.11Å; E135-I137 VanDerWaalsContact C-N 3.34Å; I137-M140 PolarHBondContact O-N 3.37Å; I137-F141 HydrophobicContact CG2-CD2 3.99Å; I137-F141 HydrophobicContact CG2-CE2 4.01Å; I137-F141 WeakPolarHBondContact O-CD2 3.3Å; I137-F141 PolarHBondContact O-N 3.32Å; I137-F141 VanDerWaalsContact O-N 3.16Å; I137-M149 HydrophobicContact CG2-CE 4.31Å
138	L	87.8	Confident	89.2	Confident	21 Å²	21	63.2 Å²	63.2	11%	0.11	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-45.9	177.1	-64.7	178.1	0	0	0	112	T134 E135 K136 M140 F141 G142 M149 L178 F182	T134-L138 HydrophobicContact CG2-CD1 4.13Å; T134-L138 HydrophobicContact CG2-CG 4.33Å; T134-L138 WeakPolarHBondContact O-CG 3.33Å; T134-L138 PolarHBondContact O-N 2.86Å; E135-L138 PolarHBondContact O-N 2.95Å; K136-L138 VanDerWaalsContact C-N 3.34Å; K136-L138 PolarHBondContact O-N 3.41Å; L138-M140 VanDerWaalsContact C-N 3.31Å; L138-M140 PolarHBondContact O-N 3Å; L138-F141 PolarHBondContact O-N 3.3Å; L138-G142 PolarHBondContact O-N 3.45Å; L138-M149 HydrophobicContact CD2-CE 3.8Å; L138-M149 HydrophobicContact CD2-SD 3.6Å; L138-L178 HydrophobicContact CD1-CD2 3.78Å; L138-F182 HydrophobicContact CD2-CE1 3.66Å; L138-F182 HydrophobicContact CD2-CZ 3.72Å
139	K	85.7	Confident	89.6	Confident	145 Å²	145	57.1 Å²	57.1	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-59.9	-41.6	177.1	-74.2	164.4	-178.8	160.8	0	111.3	E135 K136 G142	E135-K139 WeakPolarHBondContact O-CB 3.23Å; E135-K139 VanDerWaalsContact O-CG 3.26Å; E135-K139 WeakPolarHBondContact O-CG 3.47Å; E135-K139 PolarHBondContact O-N 3.02Å; E135-K139 IonicContact OE1-NZ 3.45Å; E135-K139 IonicContact OE2-NZ 3.97Å; E135-K139 PolarHBondContact OE2-NZ 2.97Å; K136-K139 PolarHBondContact O-N 3.3Å; K139-G142 PolarHBondContact O-N 2.97Å
140	M	80.1	Confident	90.1	Very high	62 Å²	62	51 Å²	51	31%	0.305	24%	0.236	S	C	.	.	H	α-helix	trans	-65.9	-42.5	-178.9	-176.6	-166.9	62.2	0	0	113.2	F90 I103 K136 I137 L138	F90-M140 HydrophobicContact CD1-CE 3.47Å; F90-M140 VanDerWaalsContact CD1-CE 3.47Å; F90-M140 HydrophobicContact CD1-SD 3.67Å; F90-M140 HydrophobicContact CE1-CE 3.8Å; F90-M140 HydrophobicContact CE1-SD 3.93Å; I103-M140 HydrophobicContact CD1-CG 4.45Å; I103-M140 HydrophobicContact CD1-SD 3.53Å; I103-M140 VanDerWaalsContact CD1-SD 3.53Å; I103-M140 HydrophobicContact CG1-SD 3.66Å; I103-M140 HydrophobicContact CG2-SD 4.22Å; K136-M140 VanDerWaalsContact O-CB 3.32Å; K136-M140 WeakPolarHBondContact O-CB 3.4Å; K136-M140 PolarHBondContact O-N 3.34Å; I137-M140 PolarHBondContact O-N 3.37Å; L138-M140 VanDerWaalsContact C-N 3.31Å; L138-M140 PolarHBondContact O-N 3Å
141	F	81.4	Confident	90.5	Very high	16 Å²	16	49.9 Å²	49.9	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-82.4	-18.7	176.3	-71	-73.9	0	0	0	112.9	V36 L117 I137 L138 A145 Y221	V36-F141 HydrophobicContact CG1-CE2 3.82Å; V36-F141 HydrophobicContact CG1-CZ 4.04Å; V36-F141 HydrophobicContact CG2-CE2 4.42Å; L117-F141 HydrophobicContact CD1-CD1 4.08Å; L117-F141 HydrophobicContact CD1-CE1 4.37Å; L117-F141 HydrophobicContact CD1-CG 4.27Å; L117-F141 HydrophobicContact CD2-CD1 4.1Å; L117-F141 HydrophobicContact CD2-CD2 4.43Å; L117-F141 HydrophobicContact CD2-CE1 3.57Å; L117-F141 HydrophobicContact CD2-CE2 3.95Å; L117-F141 HydrophobicContact CD2-CZ 3.49Å; L117-F141 VanDerWaalsContact CD2-CZ 3.49Å; I137-F141 HydrophobicContact CG2-CD2 3.99Å; I137-F141 HydrophobicContact CG2-CE2 4.01Å; I137-F141 WeakPolarHBondContact O-CD2 3.3Å; I137-F141 PolarHBondContact O-N 3.32Å; I137-F141 VanDerWaalsContact O-N 3.16Å; L138-F141 PolarHBondContact O-N 3.3Å; F141-A145 HydrophobicContact CB-CB 3.42Å; F141-A145 VanDerWaalsContact CB-CB 3.42Å; F141-A145 HydrophobicContact CG-CB 4.36Å; F141-Y221 AromaticContact CD1-CE1 3.87Å; F141-Y221 HydrophobicContact CD1-CE1 3.87Å; F141-Y221 PolarHBondContact O-OH 2.9Å
142	G	85.1	Confident	90.8	Very high	29 Å²	29	48 Å²	48	30%	0.299	22%	0.222	S	C	.	.			trans	71.7	170.5	-179.9	0	0	0	0	0	113.2	L138 K139 R144 A145	L138-G142 PolarHBondContact O-N 3.45Å; K139-G142 PolarHBondContact O-N 2.97Å; G142-R144 VanDerWaalsContact C-N 3.29Å; G142-R144 PolarHBondContact O-N 3.46Å; G142-A145 VanDerWaalsContact O-CB 3.32Å; G142-A145 WeakPolarHBondContact O-CB 3.42Å; G142-A145 PolarHBondContact O-N 3.38Å
143	E	91.3	Very high	91.1	Very high	136 Å²	136	43.7 Å²	43.7	64%	0.636	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-63.3	-33.8	-166.8	-51.7	-161.5	124.4	0	0	113.9	A145 R146	E143-A145 PolarHBondContact O-N 3.14Å; E143-A145 VanDerWaalsContact O-N 3.15Å; E143-R146 VanDerWaalsContact O-CB 3.28Å; E143-R146 WeakPolarHBondContact O-CB 3.43Å; E143-R146 WeakPolarHBondContact O-CD 3.5Å; E143-R146 VanDerWaalsContact O-CG 3.29Å; E143-R146 WeakPolarHBondContact O-CG 3.4Å; E143-R146 PolarHBondContact O-N 3.01Å; E143-R146 VanDerWaalsContact O-N 3.08Å; E143-R146 IonicContact OE1-CZ 3.43Å; E143-R146 IonicContact OE1-NH1 3.26Å; E143-R146 PolarHBondContact OE1-NH1 3.33Å; E143-R146 IonicContact OE1-NH2 3.45Å; E143-R146 PolarHBondContact OE1-NH2 3.07Å
144	R	90.7	Very high	91.5	Very high	210 Å²	210	43.7 Å²	43.7	79%	0.792	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-61.6	-22.4	177.6	-69.8	-175.4	-179.8	162.6	1.7	113.2	G142 R146 S147 Y221	G142-R144 VanDerWaalsContact C-N 3.29Å; G142-R144 PolarHBondContact O-N 3.46Å; R144-R146 VanDerWaalsContact C-N 3.3Å; R144-S147 PolarHBondContact O-OG 2.95Å; R144-Y221 HydrophobicContact CB-CE2 4.45Å
145	A	92.4	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-74	-23.2	178.2	0	0	0	0	0	112.9	L117 F141 G142 E143 S147 F148 M149 Y221	L117-A145 HydrophobicContact CD1-CB 3.87Å; F141-A145 HydrophobicContact CB-CB 3.42Å; F141-A145 VanDerWaalsContact CB-CB 3.42Å; F141-A145 HydrophobicContact CG-CB 4.36Å; G142-A145 VanDerWaalsContact O-CB 3.32Å; G142-A145 WeakPolarHBondContact O-CB 3.42Å; G142-A145 PolarHBondContact O-N 3.38Å; E143-A145 PolarHBondContact O-N 3.14Å; E143-A145 VanDerWaalsContact O-N 3.15Å; A145-S147 PolarHBondContact O-N 3.48Å; A145-F148 WeakPolarHBondContact O-CA 3.42Å; A145-F148 WeakPolarHBondContact O-CB 3.19Å; A145-F148 PolarHBondContact O-N 2.86Å; A145-M149 WeakPolarHBondContact O-CG 3.5Å; A145-M149 PolarHBondContact O-N 3.16Å; A145-Y221 HydrophobicContact CB-CD2 3.84Å; A145-Y221 HydrophobicContact CB-CE2 3.57Å; A145-Y221 HydrophobicContact CB-CG 4.45Å
146	R	94.9	Very high	92	Very high	82 Å²	82	48.9 Å²	48.9	31%	0.309	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-56.1	-36.3	-176.2	-65.4	166.2	171	159.5	7.6	112.2	E143 R144 F148 M149 I181 R185	E143-R146 VanDerWaalsContact O-CB 3.28Å; E143-R146 WeakPolarHBondContact O-CB 3.43Å; E143-R146 WeakPolarHBondContact O-CD 3.5Å; E143-R146 VanDerWaalsContact O-CG 3.29Å; E143-R146 WeakPolarHBondContact O-CG 3.4Å; E143-R146 PolarHBondContact O-N 3.01Å; E143-R146 VanDerWaalsContact O-N 3.08Å; E143-R146 IonicContact OE1-CZ 3.43Å; E143-R146 IonicContact OE1-NH1 3.26Å; E143-R146 PolarHBondContact OE1-NH1 3.33Å; E143-R146 IonicContact OE1-NH2 3.45Å; E143-R146 PolarHBondContact OE1-NH2 3.07Å; R144-R146 VanDerWaalsContact C-N 3.3Å; R146-F148 PolarHBondContact O-N 3.15Å; R146-M149 PolarHBondContact O-N 3.02Å; R146-M149 VanDerWaalsContact O-N 3.12Å; R146-I181 HydrophobicContact CB-CG2 4.15Å; R146-I181 HydrophobicContact CG-CG2 3.65Å; R146-R185 PolarHBondContact O-NH2 3.38Å
147	S	96.3	Very high	92.5	Very high	46 Å²	46	49.2 Å²	49.2	32%	0.322	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-66.8	-17.9	176.4	68.2	0	0	0	0	113.9	R144 A145 N216	R144-S147 PolarHBondContact O-OG 2.95Å; A145-S147 PolarHBondContact O-N 3.48Å; S147-N216 WeakPolarHBondContact CB-OD1 3.33Å; S147-N216 PolarHBondContact O-ND2 3.48Å; S147-N216 PolarHBondContact OG-OD1 3.23Å
148	F	97.7	Very high	92.8	Very high	21 Å²	21	53.8 Å²	53.8	9%	0.092	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-101.3	-3.2	176.8	-60.3	-93.4	0	0	0	112.8	A116 L117 A145 R146 N216 C220 Y221	A116-F148 WeakPolarHBondContact CA-O 3.3Å; L117-F148 HydrophobicContact CD1-CB 4.48Å; L117-F148 PolarHBondContact N-O 2.99Å; A145-F148 WeakPolarHBondContact O-CA 3.42Å; A145-F148 WeakPolarHBondContact O-CB 3.19Å; A145-F148 PolarHBondContact O-N 2.86Å; R146-F148 PolarHBondContact O-N 3.15Å; F148-N216 HydrophobicContact CD1-CB 4.14Å; F148-N216 HydrophobicContact CE1-CB 3.46Å; F148-N216 VanDerWaalsContact CE1-CB 3.46Å; F148-N216 WeakPolarHBondContact CE2-OD1 3.26Å; F148-N216 HydrophobicContact CZ-CB 3.75Å; F148-N216 WeakPolarHBondContact CZ-OD1 3.21Å; F148-C220 VanDerWaalsContact CE1-C 3.44Å; F148-Y221 HydrophobicContact CD2-CD2 4.1Å; F148-Y221 HydrophobicContact CD2-CG 4.36Å; F148-Y221 VanDerWaalsContact CE1-N 3.27Å; F148-Y221 HydrophobicContact CE2-CD2 4.31Å
149	M	97.5	Very high	93.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.1	-175.1	-72.4	-177.6	94.4	0	0	112.6	L117 L119 I137 L138 A145 R146 F182 R185	L117-M149 HydrophobicContact CB-CG 3.67Å; L117-M149 HydrophobicContact CD1-CG 4.24Å; L117-M149 CarbonylContact O-C 3.47Å; L117-M149 VanDerWaalsContact O-CA 3.24Å; L117-M149 WeakPolarHBondContact O-CA 3.29Å; L119-M149 HydrophobicContact CB-CE 4.14Å; I137-M149 HydrophobicContact CG2-CE 4.31Å; L138-M149 HydrophobicContact CD2-CE 3.8Å; L138-M149 HydrophobicContact CD2-SD 3.6Å; A145-M149 WeakPolarHBondContact O-CG 3.5Å; A145-M149 PolarHBondContact O-N 3.16Å; R146-M149 PolarHBondContact O-N 3.02Å; R146-M149 VanDerWaalsContact O-N 3.12Å; M149-F182 HydrophobicContact CB-CD1 3.63Å; M149-F182 HydrophobicContact CB-CD2 4.07Å; M149-F182 HydrophobicContact CB-CE1 3.5Å; M149-F182 VanDerWaalsContact CB-CE1 3.5Å; M149-F182 HydrophobicContact CB-CE2 3.94Å; M149-F182 HydrophobicContact CB-CG 3.95Å; M149-F182 HydrophobicContact CB-CZ 3.67Å; M149-F182 HydrophobicContact CE-CE1 4.19Å; M149-F182 HydrophobicContact CE-CE2 4.45Å; M149-F182 HydrophobicContact CE-CZ 3.65Å; M149-F182 HydrophobicContact CG-CE1 4.1Å; M149-F182 HydrophobicContact CG-CZ 4.21Å; M149-F182 HydrophobicContact SD-CE1 3.57Å; M149-F182 VanDerWaalsContact SD-CE1 3.57Å; M149-F182 HydrophobicContact SD-CZ 3.68Å; M149-R185 PolarHBondContact O-NE 2.86Å
150	I	98.4	Very high	93.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.4	173.2	-60.2	167.1	0	0	0	107.6	A116 L117 L118 L119 I152 R185 L208 I209 V212	A116-I150 HydrophobicContact CB-CD1 4.43Å; L117-I150 PolarHBondContact O-N 3.45Å; L118-I150 WeakPolarHBondContact CA-O 3.35Å; L118-I150 HydrophobicContact CD2-CB 3.68Å; L118-I150 HydrophobicContact CD2-CD1 3.74Å; L118-I150 HydrophobicContact CD2-CG1 4.15Å; L118-I150 HydrophobicContact CD2-CG2 4.27Å; L119-I150 PolarHBondContact N-O 2.82Å; I150-I152 HydrophobicContact CG2-CD1 3.66Å; I150-I152 HydrophobicContact CG2-CG1 4.37Å; I150-R185 WeakPolarHBondContact CA-O 3.13Å; I150-R185 HydrophobicContact CG1-CB 4.24Å; I150-R185 WeakPolarHBondContact CG2-O 3.4Å; I150-L208 HydrophobicContact CD1-CD2 4.43Å; I150-L208 HydrophobicContact CD1-CG 4.01Å; I150-L208 HydrophobicContact CG1-CG 4.41Å; I150-L208 HydrophobicContact CG2-CD2 3.56Å; I150-L208 HydrophobicContact CG2-CG 4.29Å; I150-I209 HydrophobicContact CD1-CB 4.42Å; I150-I209 HydrophobicContact CD1-CG1 3.67Å; I150-V212 HydrophobicContact CD1-CG2 3.75Å; I150-V212 HydrophobicContact CG1-CG2 3.75Å
151	L	97.5	Very high	93.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.9	174.4	-176.7	59.5	0	0	0	110.3	L119 V121 F153 L178 M179 F182 R185 Y186 C187	L119-L151 HydrophobicContact CB-CD1 4.49Å; L119-L151 HydrophobicContact CD2-CD1 4.08Å; L119-L151 HydrophobicContact CG-CD1 4.26Å; V121-L151 HydrophobicContact CB-CD1 4.38Å; V121-L151 HydrophobicContact CG2-CD1 3.8Å; L151-F153 HydrophobicContact CD2-CE1 4.29Å; L151-F153 HydrophobicContact CD2-CE2 3.58Å; L151-F153 HydrophobicContact CD2-CZ 3.38Å; L151-F153 HydrophobicContact CG-CD2 4.36Å; L151-F153 HydrophobicContact CG-CE2 3.76Å; L151-F153 HydrophobicContact CG-CZ 3.85Å; L151-L178 HydrophobicContact CD2-CB 4.22Å; L151-M179 HydrophobicContact CD2-CG 4.2Å; L151-F182 HydrophobicContact CB-CD2 3.86Å; L151-F182 HydrophobicContact CB-CE2 4.17Å; L151-R185 PolarHBondContact N-O 3.21Å; L151-Y186 CarbonylContact O-C 3.5Å; L151-Y186 WeakPolarHBondContact O-CA 3.32Å; L151-C187 PolarHBondContact O-N 3.46Å
152	I	97.9	Very high	94.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.7	179.7	-57.1	-60.3	0	0	0	110	T46 L118 L119 V120 V121 I150 C187 L189 L205	T46-I152 HydrophobicContact CG2-CG2 4.15Å; L118-I152 HydrophobicContact CB-CG1 3.91Å; L118-I152 HydrophobicContact CD1-CG1 4.2Å; L118-I152 HydrophobicContact CD2-CG1 4.36Å; L118-I152 HydrophobicContact CG-CG1 4.38Å; L119-I152 PolarHBondContact O-N 3.29Å; V120-I152 WeakPolarHBondContact CA-O 3.31Å; V120-I152 HydrophobicContact CG2-CB 4.42Å; V121-I152 PolarHBondContact N-O 3.43Å; V121-I152 VanDerWaalsContact O-O 3.11Å; I150-I152 HydrophobicContact CG2-CD1 3.66Å; I150-I152 HydrophobicContact CG2-CG1 4.37Å; I152-C187 WeakPolarHBondContact CA-O 3.28Å; I152-C187 HydrophobicContact CD1-CB 4.02Å; I152-L189 HydrophobicContact CG2-CD1 3.66Å; I152-L189 HydrophobicContact CG2-CG 4.07Å; I152-L205 HydrophobicContact CD1-CD1 3.51Å
153	F	97.3	Very high	94.6	Very high	5 Å²	5	61.5 Å²	61.5	2%	0.022	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.3	172.3	-70.1	-73.4	0	0	0	110.2	V121 L123 L151 L164 L168 I175 C187 A188 L189	V121-F153 CarbonylContact O-C 3.34Å; V121-F153 WeakPolarHBondContact O-CA 3.3Å; L123-F153 HydrophobicContact CD1-CB 4.28Å; L123-F153 HydrophobicContact CD2-CB 3.9Å; L123-F153 HydrophobicContact CD2-CD1 3.73Å; L123-F153 HydrophobicContact CD2-CG 3.96Å; L123-F153 HydrophobicContact CG-CB 3.86Å; L123-F153 HydrophobicContact CG-CD1 4.3Å; L123-F153 HydrophobicContact CG-CG 4.42Å; L151-F153 HydrophobicContact CD2-CE1 4.29Å; L151-F153 HydrophobicContact CD2-CE2 3.58Å; L151-F153 HydrophobicContact CD2-CZ 3.38Å; L151-F153 HydrophobicContact CG-CD2 4.36Å; L151-F153 HydrophobicContact CG-CE2 3.76Å; L151-F153 HydrophobicContact CG-CZ 3.85Å; F153-L164 HydrophobicContact CD2-CD1 4.42Å; F153-L168 HydrophobicContact CE1-CD2 4.13Å; F153-L168 HydrophobicContact CE2-CD1 4.06Å; F153-L168 HydrophobicContact CE2-CD2 3.7Å; F153-L168 HydrophobicContact CZ-CD2 3.47Å; F153-L168 VanDerWaalsContact CZ-CD2 3.47Å; F153-I175 HydrophobicContact CE1-CD1 4.41Å; F153-I175 HydrophobicContact CE1-CG2 4.38Å; F153-I175 HydrophobicContact CZ-CG2 3.87Å; F153-C187 PolarHBondContact N-O 3.26Å; F153-A188 HydrophobicContact CB-CB 3.94Å; F153-A188 CarbonylContact O-C 3.37Å; F153-A188 VanDerWaalsContact O-CA 3.24Å; F153-A188 WeakPolarHBondContact O-CA 3.44Å; F153-L189 PolarHBondContact O-N 3.33Å
154	T	96.8	Very high	94.7	Very high	4 Å²	4	56.3 Å²	56.3	3%	0.025	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	170.3	172.3	69.8	0	0	0	0	111.1	A41 T46 V120 V121 P122 L123 L189	A41-T154 VanDerWaalsContact O-CG2 3.29Å; A41-T154 WeakPolarHBondContact O-CG2 3.42Å; A41-T154 PolarHBondContact O-OG1 2.69Å; T46-T154 WeakPolarHBondContact OG1-CG2 3.47Å; V120-T154 HydrophobicContact CG1-CG2 3.36Å; V121-T154 PolarHBondContact O-N 2.87Å; P122-T154 WeakPolarHBondContact CA-OG1 3.23Å; L123-T154 WeakPolarHBondContact CB-O 3.45Å; L123-T154 VanDerWaalsContact CG-O 3.31Å; L123-T154 WeakPolarHBondContact CG-O 3.4Å; L123-T154 PolarHBondContact N-O 3.4Å; T154-L189 CarbonylContact C-O 3.54Å
155	R	95.2	Very high	94.8	Very high	119 Å²	119	51 Å²	51	45%	0.449	27%	0.271	S	S	.	.			trans	63.1	41.1	-177.9	-44.2	180	-175.3	-177.6	2.6	112.8	D157 D158 L189	R155-D157 VanDerWaalsContact C-OD1 3.26Å; R155-D157 VanDerWaalsContact CA-OD1 3.25Å; R155-D157 WeakPolarHBondContact CA-OD1 3.38Å; R155-D157 PolarHBondContact O-N 3.33Å; R155-D157 VanDerWaalsContact O-N 3.07Å; R155-D158 HydrophobicContact CB-CB 4.37Å; R155-D158 VanDerWaalsContact CB-OD2 3.3Å; R155-D158 WeakPolarHBondContact CB-OD2 3.4Å; R155-D158 WeakPolarHBondContact CD-OD2 3.36Å; R155-D158 VanDerWaalsContact O-CB 3.3Å; R155-D158 WeakPolarHBondContact O-CB 3.4Å; R155-D158 PolarHBondContact O-N 2.82Å; R155-L189 PolarHBondContact N-O 2.91Å
156	K	96.4	Very high	94.8	Very high	74 Å²	74	54 Å²	54	32%	0.322	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-53.9	-27	174.9	-177.1	-174.2	173.7	-176.4	0	112.5	L123 D158 L159 A188 L189 N190	L123-K156 HydrophobicContact CD1-CB 4.48Å; K156-D158 PolarHBondContact O-N 2.95Å; K156-L159 HydrophobicContact CG-CD1 4.2Å; K156-L159 WeakPolarHBondContact O-CB 3.3Å; K156-L159 PolarHBondContact O-N 3.41Å; K156-A188 HydrophobicContact CB-CB 4.07Å; K156-A188 HydrophobicContact CD-CB 4.11Å; K156-A188 HydrophobicContact CG-CB 3.97Å; K156-L189 VanDerWaalsContact CB-C 3.41Å; K156-L189 WeakPolarHBondContact CB-O 3.07Å; K156-L189 PolarHBondContact N-O 3.48Å; K156-L189 VanDerWaalsContact N-O 3.11Å; K156-N190 HydrophobicContact CB-CB 4.1Å
157	D	94.7	Very high	94.7	Very high	61 Å²	61	53.3 Å²	53.3	33%	0.326	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.3	172.5	50	-46.6	0	0	0	113.9	R155 L159 G160 K192	R155-D157 VanDerWaalsContact C-OD1 3.26Å; R155-D157 VanDerWaalsContact CA-OD1 3.25Å; R155-D157 WeakPolarHBondContact CA-OD1 3.38Å; R155-D157 PolarHBondContact O-N 3.33Å; R155-D157 VanDerWaalsContact O-N 3.07Å; D157-L159 PolarHBondContact O-N 3.38Å; D157-G160 PolarHBondContact O-N 3.36Å; D157-K192 IonicContact OD2-NZ 2.72Å; D157-K192 PolarHBondContact OD2-NZ 2.99Å
158	D	94.4	Very high	94.6	Very high	98 Å²	98	51.3 Å²	51.3	52%	0.524	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-73.1	-12.2	177.4	-65.4	-9.7	0	0	0	112.8	R155 K156 G160	R155-D158 HydrophobicContact CB-CB 4.37Å; R155-D158 VanDerWaalsContact CB-OD2 3.3Å; R155-D158 WeakPolarHBondContact CB-OD2 3.4Å; R155-D158 WeakPolarHBondContact CD-OD2 3.36Å; R155-D158 VanDerWaalsContact O-CB 3.3Å; R155-D158 WeakPolarHBondContact O-CB 3.4Å; R155-D158 PolarHBondContact O-N 2.82Å; K156-D158 PolarHBondContact O-N 2.95Å; D158-G160 VanDerWaalsContact C-N 3.33Å
159	L	92.8	Very high	94.3	Very high	18 Å²	18	57.9 Å²	57.9	9%	0.094	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-74.4	-20.2	176.5	-68.8	172.6	0	0	0	113.5	L123 K156 D157 D161 T162 L164 Y167	L123-L159 HydrophobicContact CD1-CD1 3.96Å; L123-L159 HydrophobicContact CD1-CD2 4.27Å; L123-L159 HydrophobicContact CD1-CG 3.85Å; K156-L159 HydrophobicContact CG-CD1 4.2Å; K156-L159 WeakPolarHBondContact O-CB 3.3Å; K156-L159 PolarHBondContact O-N 3.41Å; D157-L159 PolarHBondContact O-N 3.38Å; L159-D161 PolarHBondContact O-N 3.01Å; L159-T162 WeakPolarHBondContact CB-O 3.26Å; L159-T162 VanDerWaalsContact O-CB 3.3Å; L159-T162 WeakPolarHBondContact O-CB 3.2Å; L159-T162 PolarHBondContact O-N 3.43Å; L159-T162 PolarHBondContact O-OG1 2.96Å; L159-L164 HydrophobicContact CD1-CB 4.12Å; L159-L164 HydrophobicContact CD1-CD1 4.14Å; L159-Y167 HydrophobicContact CD2-CD1 4.26Å; L159-Y167 HydrophobicContact CD2-CD2 3.55Å; L159-Y167 HydrophobicContact CD2-CE2 4.22Å; L159-Y167 HydrophobicContact CD2-CG 3.58Å
160	G	91.4	Very high	94	Very high	64 Å²	64	66.3 Å²	66.3	66%	0.66	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-123.2	-170.4	0	0	0	0	0	111.6	D157 D158	D157-G160 PolarHBondContact O-N 3.36Å; D158-G160 VanDerWaalsContact C-N 3.33Å
161	D	90.1	Very high	93.7	Very high	178 Å²	178	66.7 Å²	66.7	95%	0.952	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.1	178.9	-62.4	-40.6	0	0	0	113.5	L159	L159-D161 PolarHBondContact O-N 3.01Å
162	T	91.4	Very high	93.5	Very high	77 Å²	77	69.9 Å²	69.9	47%	0.472	36%	0.358	S	S	.	.			trans	-73.1	129.2	-179.2	-57.2	0	0	0	0	110.8	L159 D166	L159-T162 WeakPolarHBondContact CB-O 3.26Å; L159-T162 VanDerWaalsContact O-CB 3.3Å; L159-T162 WeakPolarHBondContact O-CB 3.2Å; L159-T162 PolarHBondContact O-N 3.43Å; L159-T162 PolarHBondContact O-OG1 2.96Å; T162-D166 HydrophobicContact CG2-CB 4.39Å
163	N	92	Very high	93.3	Very high	97 Å²	97	76.9 Å²	76.9	52%	0.519	39%	0.391	S	S	.	.			trans	-68.9	138.4	172.7	-176.6	-17.8	0	0	0	110.1	H165 D166 Y167	N163-H165 PolarHBondContact O-N 3.44Å; N163-H165 PolarHBondContact OD1-N 2.92Å; N163-D166 PolarHBondContact O-N 3.45Å; N163-Y167 PolarHBondContact O-N 3.28Å
164	L	93.3	Very high	93.1	Very high	27 Å²	27	78.7 Å²	78.7	14%	0.141	40%	0.401	C	S	.	.	H	α-helix	trans	-49.7	-40.8	174.5	-179.5	64.5	0	0	0	112.7	L123 F153 L159 D166 Y167 L168 Y186 A188	L123-L164 HydrophobicContact CD2-CD1 4.22Å; F153-L164 HydrophobicContact CD2-CD1 4.42Å; L159-L164 HydrophobicContact CD1-CB 4.12Å; L159-L164 HydrophobicContact CD1-CD1 4.14Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-D166 PolarHBondContact O-N 3.03Å; L164-Y167 PolarHBondContact O-N 3.45Å; L164-L168 HydrophobicContact CD1-CD1 3.91Å; L164-L168 HydrophobicContact CD1-CG 4.06Å; L164-L168 HydrophobicContact CD2-CD1 4.37Å; L164-L168 HydrophobicContact CG-CD1 3.77Å; L164-L168 HydrophobicContact CG-CG 4.3Å; L164-L168 WeakPolarHBondContact O-CB 3.22Å; L164-L168 VanDerWaalsContact O-CG 3.24Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 2.98Å; L164-Y186 HydrophobicContact CD2-CD2 4.12Å; L164-Y186 HydrophobicContact CD2-CE2 4.27Å; L164-A188 HydrophobicContact CD1-CB 3.84Å; L164-A188 HydrophobicContact CD2-CB 3.51Å; L164-A188 HydrophobicContact CG-CB 4.21Å
165	H	92.4	Very high	93	Very high	99 Å²	99	78.9 Å²	78.9	46%	0.458	40%	0.401	S	S	.	.	H	α-helix	trans	-64.5	-40.2	179.7	-173.3	67.5	0	0	0	111.9	N163 L168 R169	N163-H165 PolarHBondContact O-N 3.44Å; N163-H165 PolarHBondContact OD1-N 2.92Å; H165-L168 PolarHBondContact O-N 2.94Å; H165-R169 WeakPolarHBondContact O-CG 3.24Å; H165-R169 PolarHBondContact O-N 2.88Å
166	D	93	Very high	93	Very high	63 Å²	63	77 Å²	77	34%	0.337	40%	0.398	S	S	.	.	H	α-helix	trans	-67.6	-41.4	177.9	-61.5	-30.5	0	0	0	111	T162 N163 L164 L168 R169	T162-D166 HydrophobicContact CG2-CB 4.39Å; N163-D166 PolarHBondContact O-N 3.45Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-D166 PolarHBondContact O-N 3.03Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 2.92Å; D166-R169 VanDerWaalsContact CG-NH2 3.3Å; D166-R169 PolarHBondContact O-N 3.36Å; D166-R169 IonicContact OD1-CZ 3.13Å; D166-R169 IonicContact OD1-NE 3.89Å; D166-R169 IonicContact OD1-NH1 3.51Å; D166-R169 IonicContact OD1-NH2 2.63Å; D166-R169 PolarHBondContact OD1-NH2 3.3Å
167	Y	93.2	Very high	92.9	Very high	68 Å²	68	77 Å²	77	27%	0.267	40%	0.401	S	S	.	.	H	α-helix	trans	-58.4	-43.6	173.4	175.9	-88.6	0	0	0	112.1	L123 G124 L159 N163 L164 R169 E170 A171	L123-Y167 HydrophobicContact CD2-CD1 3.89Å; L123-Y167 HydrophobicContact CD2-CE1 3.46Å; L123-Y167 VanDerWaalsContact CD2-CE1 3.46Å; G124-Y167 WeakPolarHBondContact CA-OH 3.43Å; G124-Y167 PolarHBondContact N-OH 3.38Å; G124-Y167 PolarHBondContact O-OH 3.26Å; L159-Y167 HydrophobicContact CD2-CD1 4.26Å; L159-Y167 HydrophobicContact CD2-CD2 3.55Å; L159-Y167 HydrophobicContact CD2-CE2 4.22Å; L159-Y167 HydrophobicContact CD2-CG 3.58Å; N163-Y167 PolarHBondContact O-N 3.28Å; L164-Y167 PolarHBondContact O-N 3.45Å; Y167-R169 VanDerWaalsContact C-N 3.32Å; Y167-R169 PolarHBondContact O-N 2.81Å; Y167-E170 PolarHBondContact O-N 3.41Å; Y167-A171 PolarHBondContact O-N 2.85Å
168	L	93.7	Very high	92.9	Very high	4 Å²	4	74.5 Å²	74.5	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-73.2	-21	-176.5	-68.9	172.3	0	0	0	113.7	F153 L164 H165 D166 E170 A171 I175 M179 Y186	F153-L168 HydrophobicContact CE1-CD2 4.13Å; F153-L168 HydrophobicContact CE2-CD1 4.06Å; F153-L168 HydrophobicContact CE2-CD2 3.7Å; F153-L168 HydrophobicContact CZ-CD2 3.47Å; F153-L168 VanDerWaalsContact CZ-CD2 3.47Å; L164-L168 HydrophobicContact CD1-CD1 3.91Å; L164-L168 HydrophobicContact CD1-CG 4.06Å; L164-L168 HydrophobicContact CD2-CD1 4.37Å; L164-L168 HydrophobicContact CG-CD1 3.77Å; L164-L168 HydrophobicContact CG-CG 4.3Å; L164-L168 WeakPolarHBondContact O-CB 3.22Å; L164-L168 VanDerWaalsContact O-CG 3.24Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 2.98Å; H165-L168 PolarHBondContact O-N 2.94Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 2.92Å; L168-E170 PolarHBondContact O-N 3.07Å; L168-A171 HydrophobicContact CD2-CB 4.38Å; L168-A171 VanDerWaalsContact O-CB 3.3Å; L168-A171 WeakPolarHBondContact O-CB 3.49Å; L168-A171 PolarHBondContact O-N 3.22Å; L168-I175 HydrophobicContact CD2-CG2 4.08Å; L168-M179 HydrophobicContact CB-CE 4.5Å; L168-M179 HydrophobicContact CB-SD 4.23Å; L168-M179 HydrophobicContact CD1-SD 3.85Å; L168-M179 HydrophobicContact CD2-SD 4.29Å; L168-M179 HydrophobicContact CG-SD 4.34Å; L168-Y186 HydrophobicContact CD1-CD2 3.64Å; L168-Y186 HydrophobicContact CD1-CE2 3.43Å; L168-Y186 VanDerWaalsContact CD1-CE2 3.43Å; L168-Y186 HydrophobicContact CD1-CG 4.35Å
169	R	91.6	Very high	93	Very high	158 Å²	158	70.8 Å²	70.8	60%	0.596	37%	0.368	S	S	*	.	H	α-helix	trans	-65.3	-26.2	171.8	-71.3	-172.6	-56.4	-148.9	-0.9	113.2	H165 D166 Y167	H165-R169 WeakPolarHBondContact O-CG 3.24Å; H165-R169 PolarHBondContact O-N 2.88Å; D166-R169 VanDerWaalsContact CG-NH2 3.3Å; D166-R169 PolarHBondContact O-N 3.36Å; D166-R169 IonicContact OD1-CZ 3.13Å; D166-R169 IonicContact OD1-NE 3.89Å; D166-R169 IonicContact OD1-NH1 3.51Å; D166-R169 IonicContact OD1-NH2 2.63Å; D166-R169 PolarHBondContact OD1-NH2 3.3Å; Y167-R169 VanDerWaalsContact C-N 3.32Å; Y167-R169 PolarHBondContact O-N 2.81Å
170	E	90.9	Very high	93.1	Very high	178 Å²	178	75.3 Å²	75.3	83%	0.832	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	6.6	178.2	-60.9	-177	-178.9	0	0	112.1	Y167 L168	Y167-E170 PolarHBondContact O-N 3.41Å; L168-E170 PolarHBondContact O-N 3.07Å
171	A	91.4	Very high	93.2	Very high	9 Å²	9	75.4 Å²	75.4	7%	0.074	38%	0.377	C	S	.	.	S	Bend	trans	-68.7	152	-179.1	0	0	0	0	0	111.5	Y167 L168 I175 Q176	Y167-A171 PolarHBondContact O-N 2.85Å; L168-A171 HydrophobicContact CD2-CB 4.38Å; L168-A171 VanDerWaalsContact O-CB 3.3Å; L168-A171 WeakPolarHBondContact O-CB 3.49Å; L168-A171 PolarHBondContact O-N 3.22Å; A171-I175 HydrophobicContact CB-CB 3.92Å; A171-I175 HydrophobicContact CB-CG2 3.75Å; A171-Q176 PolarHBondContact O-NE2 3.28Å
172	P	92.9	Very high	93.5	Very high	66 Å²	66	66.9 Å²	66.9	43%	0.429	33%	0.331	S	S	.	.			trans	-53.9	151.3	173.1	-25.7	35.7	0	0	0	112.4	D174 I175 Q176	P172-D174 PolarHBondContact O-N 2.72Å; P172-I175 WeakPolarHBondContact O-CB 3.27Å; P172-I175 PolarHBondContact O-N 3.37Å; P172-Q176 PolarHBondContact O-N 3.37Å
173	E	94.2	Very high	93.6	Very high	148 Å²	148	65.3 Å²	65.3	69%	0.692	33%	0.33	S	S	*	.	H	α-helix	trans	-49.6	-43	179.4	-172.1	172.2	-167.8	0	0	111.7	I175 Q176 D177	E173-I175 VanDerWaalsContact C-N 3.27Å; E173-I175 PolarHBondContact O-N 2.96Å; E173-I175 VanDerWaalsContact O-N 3.16Å; E173-Q176 CarbonylContact O-C 3.6Å; E173-Q176 WeakPolarHBondContact O-CA 3.4Å; E173-Q176 WeakPolarHBondContact O-CB 3.38Å; E173-Q176 PolarHBondContact O-N 2.76Å; E173-D177 PolarHBondContact O-N 2.86Å
174	D	93.5	Very high	93.8	Very high	43 Å²	43	65.6 Å²	65.6	23%	0.23	33%	0.331	C	S	.	.	H	α-helix	trans	-54.3	-37.4	175.7	-61.7	-26.7	0	0	0	114.8	Y126 H131 P172 L178	Y126-D174 HydrophobicContact CD1-CB 4.07Å; Y126-D174 HydrophobicContact CE1-CB 3.59Å; H131-D174 VanDerWaalsContact CE1-CG 3.47Å; H131-D174 IonicContact CE1-OD1 2.76Å; H131-D174 PolarHBondContact CE1-OD1 3.4Å; H131-D174 VanDerWaalsContact CE1-OD1 3.27Å; H131-D174 IonicContact CE1-OD2 3.48Å; H131-D174 IonicContact CG-OD2 3.81Å; H131-D174 IonicContact ND1-OD1 2.72Å; H131-D174 PolarHBondContact ND1-OD1 3.48Å; H131-D174 IonicContact ND1-OD2 2.88Å; H131-D174 PolarHBondContact ND1-OD2 3.3Å; P172-D174 PolarHBondContact O-N 2.72Å; D174-L178 VanDerWaalsContact O-CG 3.24Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 3.38Å; D174-L178 VanDerWaalsContact O-N 3.17Å
175	I	95.4	Very high	94	Very high	7 Å²	7	65.7 Å²	65.7	4%	0.036	33%	0.33	C	S	.	.	H	α-helix	trans	-74	-37.9	177	-68.2	-64	0	0	0	109.8	Y126 F153 L168 A171 P172 E173 L178 M179	Y126-I175 HydrophobicContact CD1-CD1 4.08Å; Y126-I175 HydrophobicContact CD1-CG1 4.04Å; Y126-I175 HydrophobicContact CD2-CD1 3.56Å; Y126-I175 HydrophobicContact CD2-CG1 4.23Å; Y126-I175 HydrophobicContact CE1-CD1 4.13Å; Y126-I175 HydrophobicContact CE1-CG1 4.41Å; Y126-I175 HydrophobicContact CE2-CD1 3.62Å; Y126-I175 HydrophobicContact CG-CD1 3.77Å; Y126-I175 HydrophobicContact CG-CG1 3.91Å; F153-I175 HydrophobicContact CE1-CD1 4.41Å; F153-I175 HydrophobicContact CE1-CG2 4.38Å; F153-I175 HydrophobicContact CZ-CG2 3.87Å; L168-I175 HydrophobicContact CD2-CG2 4.08Å; A171-I175 HydrophobicContact CB-CB 3.92Å; A171-I175 HydrophobicContact CB-CG2 3.75Å; P172-I175 WeakPolarHBondContact O-CB 3.27Å; P172-I175 PolarHBondContact O-N 3.37Å; E173-I175 VanDerWaalsContact C-N 3.27Å; E173-I175 PolarHBondContact O-N 2.96Å; E173-I175 VanDerWaalsContact O-N 3.16Å; I175-L178 HydrophobicContact CD1-CD1 4.21Å; I175-L178 PolarHBondContact O-N 3.39Å; I175-M179 WeakPolarHBondContact O-CG 3.5Å; I175-M179 PolarHBondContact O-N 3.26Å
176	Q	94.6	Very high	94.2	Very high	80 Å²	80	63.5 Å²	63.5	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-46.7	175.9	-58.5	-177.3	29.1	0	0	110.5	A171 P172 E173 L178 M179 D180	A171-Q176 PolarHBondContact O-NE2 3.28Å; P172-Q176 PolarHBondContact O-N 3.37Å; E173-Q176 CarbonylContact O-C 3.6Å; E173-Q176 WeakPolarHBondContact O-CA 3.4Å; E173-Q176 WeakPolarHBondContact O-CB 3.38Å; E173-Q176 PolarHBondContact O-N 2.76Å; Q176-L178 VanDerWaalsContact C-N 3.29Å; Q176-L178 PolarHBondContact O-N 3.23Å; Q176-M179 WeakPolarHBondContact O-CB 3.48Å; Q176-M179 PolarHBondContact O-N 2.72Å; Q176-D180 PolarHBondContact O-N 2.73Å
177	D	94.7	Very high	94.3	Very high	74 Å²	74	60.6 Å²	60.6	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-56.1	-42.9	173.9	-74.4	-10.3	0	0	0	111.9	E173 M179 D180 I181	E173-D177 PolarHBondContact O-N 2.86Å; D177-M179 PolarHBondContact O-N 3.45Å; D177-D180 PolarHBondContact O-N 3.41Å; D177-I181 HydrophobicContact CB-CD1 4.47Å; D177-I181 VanDerWaalsContact O-CB 3.25Å; D177-I181 WeakPolarHBondContact O-CB 3.39Å; D177-I181 WeakPolarHBondContact O-CD1 3.32Å; D177-I181 WeakPolarHBondContact O-CG1 3.24Å; D177-I181 PolarHBondContact O-N 2.98Å
178	L	94.8	Very high	94.5	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-39.2	177	-71.8	169.6	0	0	0	112.8	L119 T134 L138 L151 D174 I175 Q176 D180 F182	L119-L178 HydrophobicContact CD2-CD1 4.5Å; L119-L178 HydrophobicContact CD2-CD2 4.36Å; T134-L178 HydrophobicContact CG2-CD1 3.81Å; T134-L178 HydrophobicContact CG2-CD2 3.54Å; T134-L178 HydrophobicContact CG2-CG 4.31Å; L138-L178 HydrophobicContact CD1-CD2 3.78Å; L151-L178 HydrophobicContact CD2-CB 4.22Å; D174-L178 VanDerWaalsContact O-CG 3.24Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 3.38Å; D174-L178 VanDerWaalsContact O-N 3.17Å; I175-L178 HydrophobicContact CD1-CD1 4.21Å; I175-L178 PolarHBondContact O-N 3.39Å; Q176-L178 VanDerWaalsContact C-N 3.29Å; Q176-L178 PolarHBondContact O-N 3.23Å; L178-D180 VanDerWaalsContact C-N 3.34Å; L178-F182 HydrophobicContact CD2-CZ 4.41Å; L178-F182 WeakPolarHBondContact O-CB 3.31Å; L178-F182 WeakPolarHBondContact O-CG 3.33Å; L178-F182 PolarHBondContact O-N 3.1Å
179	M	95.2	Very high	94.7	Very high	21 Å²	21	57.4 Å²	57.4	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-43.8	175.6	-65.7	-171	-45.5	0	0	110.7	L151 L168 I175 Q176 D177 F182 G183 D184 Y186	L151-M179 HydrophobicContact CD2-CG 4.2Å; L168-M179 HydrophobicContact CB-CE 4.5Å; L168-M179 HydrophobicContact CB-SD 4.23Å; L168-M179 HydrophobicContact CD1-SD 3.85Å; L168-M179 HydrophobicContact CD2-SD 4.29Å; L168-M179 HydrophobicContact CG-SD 4.34Å; I175-M179 WeakPolarHBondContact O-CG 3.5Å; I175-M179 PolarHBondContact O-N 3.26Å; Q176-M179 WeakPolarHBondContact O-CB 3.48Å; Q176-M179 PolarHBondContact O-N 2.72Å; D177-M179 PolarHBondContact O-N 3.45Å; M179-F182 CarbonylContact O-C 3.59Å; M179-F182 PolarHBondContact O-N 3.43Å; M179-G183 PolarHBondContact O-N 3.22Å; M179-D184 PolarHBondContact O-N 3.3Å; M179-Y186 HydrophobicContact CB-CD1 4.48Å; M179-Y186 HydrophobicContact CG-CD1 4.02Å; M179-Y186 HydrophobicContact CG-CE1 4.43Å; M179-Y186 HydrophobicContact SD-CD1 3.87Å; M179-Y186 HydrophobicContact SD-CE1 3.81Å; M179-Y186 HydrophobicContact SD-CG 4.42Å
180	D	95	Very high	94.9	Very high	112 Å²	112	50.8 Å²	50.8	60%	0.599	27%	0.267	S	S	*	.	H	α-helix	trans	-65.1	-47.7	178.1	-73.5	-8.3	0	0	0	111.6	Q176 D177 L178 F182 G183	Q176-D180 PolarHBondContact O-N 2.73Å; D177-D180 PolarHBondContact O-N 3.41Å; L178-D180 VanDerWaalsContact C-N 3.34Å; D180-F182 PolarHBondContact O-N 3.46Å; D180-G183 PolarHBondContact O-N 3.41Å
181	I	94.3	Very high	95.2	Very high	66 Å²	66	44.3 Å²	44.3	34%	0.338	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-36	176.7	-70.9	166.7	0	0	0	110.9	R146 D177	R146-I181 HydrophobicContact CB-CG2 4.15Å; R146-I181 HydrophobicContact CG-CG2 3.65Å; D177-I181 HydrophobicContact CB-CD1 4.47Å; D177-I181 VanDerWaalsContact O-CB 3.25Å; D177-I181 WeakPolarHBondContact O-CB 3.39Å; D177-I181 WeakPolarHBondContact O-CD1 3.32Å; D177-I181 WeakPolarHBondContact O-CG1 3.24Å; D177-I181 PolarHBondContact O-N 2.98Å
182	F	95.8	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	13.7	176.8	-60.8	-9.3	0	0	0	113.3	L119 L138 M149 L151 L178 M179 D180 D184 R185	L119-F182 HydrophobicContact CB-CE2 4.01Å; L119-F182 HydrophobicContact CB-CZ 4.38Å; L119-F182 HydrophobicContact CD2-CE2 3.89Å; L119-F182 HydrophobicContact CD2-CZ 3.94Å; L138-F182 HydrophobicContact CD2-CE1 3.66Å; L138-F182 HydrophobicContact CD2-CZ 3.72Å; M149-F182 HydrophobicContact CB-CD1 3.63Å; M149-F182 HydrophobicContact CB-CD2 4.07Å; M149-F182 HydrophobicContact CB-CE1 3.5Å; M149-F182 VanDerWaalsContact CB-CE1 3.5Å; M149-F182 HydrophobicContact CB-CE2 3.94Å; M149-F182 HydrophobicContact CB-CG 3.95Å; M149-F182 HydrophobicContact CB-CZ 3.67Å; M149-F182 HydrophobicContact CE-CE1 4.19Å; M149-F182 HydrophobicContact CE-CE2 4.45Å; M149-F182 HydrophobicContact CE-CZ 3.65Å; M149-F182 HydrophobicContact CG-CE1 4.1Å; M149-F182 HydrophobicContact CG-CZ 4.21Å; M149-F182 HydrophobicContact SD-CE1 3.57Å; M149-F182 VanDerWaalsContact SD-CE1 3.57Å; M149-F182 HydrophobicContact SD-CZ 3.68Å; L151-F182 HydrophobicContact CB-CD2 3.86Å; L151-F182 HydrophobicContact CB-CE2 4.17Å; L178-F182 HydrophobicContact CD2-CZ 4.41Å; L178-F182 WeakPolarHBondContact O-CB 3.31Å; L178-F182 WeakPolarHBondContact O-CG 3.33Å; L178-F182 PolarHBondContact O-N 3.1Å; M179-F182 CarbonylContact O-C 3.59Å; M179-F182 PolarHBondContact O-N 3.43Å; D180-F182 PolarHBondContact O-N 3.46Å; F182-D184 PolarHBondContact O-N 2.98Å; F182-R185 VanDerWaalsContact C-NH2 3.29Å; F182-R185 VanDerWaalsContact O-CB 3.26Å; F182-R185 WeakPolarHBondContact O-CB 3.4Å; F182-R185 WeakPolarHBondContact O-CG 3.18Å; F182-R185 PolarHBondContact O-N 2.85Å; F182-R185 PolarHBondContact O-NE 3.43Å; F182-R185 PolarHBondContact O-NH1 3.46Å; F182-R185 PolarHBondContact O-NH2 3.06Å
183	G	95	Very high	95.4	Very high	43 Å²	43	48.3 Å²	48.3	44%	0.443	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	49.8	175.8	0	0	0	0	0	113.8	M179 D180 R185	M179-G183 PolarHBondContact O-N 3.22Å; D180-G183 PolarHBondContact O-N 3.41Å; G183-R185 PolarHBondContact O-N 3.06Å; G183-R185 VanDerWaalsContact O-N 3.14Å
184	D	95.4	Very high	95.4	Very high	103 Å²	103	46.5 Å²	46.5	55%	0.551	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	23.3	179.3	-68.9	-53.9	0	0	0	115	M179 F182 Y186	M179-D184 PolarHBondContact O-N 3.3Å; F182-D184 PolarHBondContact O-N 2.98Å; D184-Y186 HydrophobicContact CB-CE1 4.3Å; D184-Y186 WeakPolarHBondContact O-CD1 3.25Å; D184-Y186 PolarHBondContact O-N 3Å
185	R	97	Very high	95.5	Very high	30 Å²	30	47 Å²	47	11%	0.113	26%	0.263	C	S	.	.			trans	-87.6	86.2	175.9	-61.6	-175.1	-68.8	-80	-6.4	110.7	R146 M149 I150 L151 F182 G183 L208 E215	R146-R185 PolarHBondContact O-NH2 3.38Å; M149-R185 PolarHBondContact O-NE 2.86Å; I150-R185 WeakPolarHBondContact CA-O 3.13Å; I150-R185 HydrophobicContact CG1-CB 4.24Å; I150-R185 WeakPolarHBondContact CG2-O 3.4Å; L151-R185 PolarHBondContact N-O 3.21Å; F182-R185 VanDerWaalsContact C-NH2 3.29Å; F182-R185 VanDerWaalsContact O-CB 3.26Å; F182-R185 WeakPolarHBondContact O-CB 3.4Å; F182-R185 WeakPolarHBondContact O-CG 3.18Å; F182-R185 PolarHBondContact O-N 2.85Å; F182-R185 PolarHBondContact O-NE 3.43Å; F182-R185 PolarHBondContact O-NH1 3.46Å; F182-R185 PolarHBondContact O-NH2 3.06Å; G183-R185 PolarHBondContact O-N 3.06Å; G183-R185 VanDerWaalsContact O-N 3.14Å; R185-L208 HydrophobicContact CB-CD1 4.38Å; R185-L208 HydrophobicContact CG-CD1 4.38Å; R185-E215 IonicContact NH1-OE2 3.78Å
186	Y	96.7	Very high	95.5	Very high	53 Å²	53	50.8 Å²	50.8	21%	0.208	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.6	174.7	59.6	-92.7	0	0	0	113.8	L151 L164 L168 M179 D184	L151-Y186 CarbonylContact O-C 3.5Å; L151-Y186 WeakPolarHBondContact O-CA 3.32Å; L164-Y186 HydrophobicContact CD2-CD2 4.12Å; L164-Y186 HydrophobicContact CD2-CE2 4.27Å; L168-Y186 HydrophobicContact CD1-CD2 3.64Å; L168-Y186 HydrophobicContact CD1-CE2 3.43Å; L168-Y186 VanDerWaalsContact CD1-CE2 3.43Å; L168-Y186 HydrophobicContact CD1-CG 4.35Å; M179-Y186 HydrophobicContact CB-CD1 4.48Å; M179-Y186 HydrophobicContact CG-CD1 4.02Å; M179-Y186 HydrophobicContact CG-CE1 4.43Å; M179-Y186 HydrophobicContact SD-CD1 3.87Å; M179-Y186 HydrophobicContact SD-CE1 3.81Å; M179-Y186 HydrophobicContact SD-CG 4.42Å; D184-Y186 HydrophobicContact CB-CE1 4.3Å; D184-Y186 WeakPolarHBondContact O-CD1 3.25Å; D184-Y186 PolarHBondContact O-N 3Å
187	C	96	Very high	95.6	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.007	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148.2	175	-173.9	0	0	0	0	110.3	L151 I152 F153 L208	L151-C187 PolarHBondContact O-N 3.46Å; I152-C187 WeakPolarHBondContact CA-O 3.28Å; I152-C187 HydrophobicContact CD1-CB 4.02Å; F153-C187 PolarHBondContact N-O 3.26Å; C187-L208 HydrophobicContact CB-CD2 4.22Å
188	A	96.8	Very high	95.6	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.5	171.6	0	0	0	0	0	111.4	L123 F153 K156 L164	L123-A188 HydrophobicContact CD1-CB 4.46Å; F153-A188 HydrophobicContact CB-CB 3.94Å; F153-A188 CarbonylContact O-C 3.37Å; F153-A188 VanDerWaalsContact O-CA 3.24Å; F153-A188 WeakPolarHBondContact O-CA 3.44Å; K156-A188 HydrophobicContact CB-CB 4.07Å; K156-A188 HydrophobicContact CD-CB 4.11Å; K156-A188 HydrophobicContact CG-CB 3.97Å; L164-A188 HydrophobicContact CD1-CB 3.84Å; L164-A188 HydrophobicContact CD2-CB 3.51Å; L164-A188 HydrophobicContact CG-CB 4.21Å
189	L	97	Very high	95.7	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.9	-178.2	-59.1	177	0	0	0	111.6	T46 I152 F153 T154 R155 K156 Q201 L205	T46-L189 HydrophobicContact CG2-CD1 3.73Å; I152-L189 HydrophobicContact CG2-CD1 3.66Å; I152-L189 HydrophobicContact CG2-CG 4.07Å; F153-L189 PolarHBondContact O-N 3.33Å; T154-L189 CarbonylContact C-O 3.54Å; R155-L189 PolarHBondContact N-O 2.91Å; K156-L189 VanDerWaalsContact CB-C 3.41Å; K156-L189 WeakPolarHBondContact CB-O 3.07Å; K156-L189 PolarHBondContact N-O 3.48Å; K156-L189 VanDerWaalsContact N-O 3.11Å; L189-Q201 HydrophobicContact CD2-CB 4.01Å; L189-L205 HydrophobicContact CD1-CD2 3.82Å; L189-L205 HydrophobicContact CD2-CD2 4.35Å
190	N	96.7	Very high	95.7	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.102	33%	0.333	C	S	.	.			trans	-95.6	96.7	162.9	175.2	5.8	0	0	0	107.6	K156 K192 A193 E197 Q201	K156-N190 HydrophobicContact CB-CB 4.1Å; N190-K192 PolarHBondContact O-N 3.3Å; N190-K192 WeakPolarHBondContact OD1-CA 3.3Å; N190-K192 WeakPolarHBondContact OD1-CB 3.32Å; N190-K192 PolarHBondContact OD1-N 2.74Å; N190-A193 HydrophobicContact CB-CB 4.07Å; N190-A193 WeakPolarHBondContact O-CB 3.22Å; N190-A193 PolarHBondContact O-N 2.9Å; N190-A193 PolarHBondContact OD1-N 2.9Å; N190-E197 PolarHBondContact ND2-OE1 2.71Å; N190-E197 VanDerWaalsContact ND2-OE1 3.08Å; N190-Q201 PolarHBondContact O-OE1 3.2Å
191	N	96.2	Very high	95.8	Very high	41 Å²	41	52.3 Å²	52.3	22%	0.219	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.6	-179.7	-72.2	-37.2	0	0	0	113.8	A45 T46 S49	A45-N191 HydrophobicContact CB-CB 3.8Å; T46-N191 WeakPolarHBondContact CA-OD1 3.29Å; T46-N191 PolarHBondContact N-ND2 2.97Å; T46-N191 PolarHBondContact OG1-ND2 2.99Å; T46-N191 VanDerWaalsContact OG1-ND2 3.1Å; S49-N191 PolarHBondContact OG-OD1 2.83Å
192	K	94.4	Very high	95.9	Very high	150 Å²	150	50.4 Å²	50.4	65%	0.652	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.4	171.1	-52.7	171.3	-168.2	152.9	0	112.2	D157 N190	D157-K192 IonicContact OD2-NZ 2.72Å; D157-K192 PolarHBondContact OD2-NZ 2.99Å; N190-K192 PolarHBondContact O-N 3.3Å; N190-K192 WeakPolarHBondContact OD1-CA 3.3Å; N190-K192 WeakPolarHBondContact OD1-CB 3.32Å; N190-K192 PolarHBondContact OD1-N 2.74Å
193	A	94.7	Very high	95.9	Very high	9 Å²	9	52.9 Å²	52.9	7%	0.074	32%	0.315	C	S	.	.			trans	-58.1	146.3	180	0	0	0	0	0	111.3	N190 E197 Q198	N190-A193 HydrophobicContact CB-CB 4.07Å; N190-A193 WeakPolarHBondContact O-CB 3.22Å; N190-A193 PolarHBondContact O-N 2.9Å; N190-A193 PolarHBondContact OD1-N 2.9Å; A193-E197 HydrophobicContact CB-CB 4.17Å; A193-E197 VanDerWaalsContact CB-CD 3.48Å; A193-E197 HydrophobicContact CB-CG 3.84Å; A193-Q198 HydrophobicContact CB-CB 4.3Å
194	T	94.8	Very high	96	Very high	110 Å²	110	56.1 Å²	56.1	68%	0.675	32%	0.319	S	S	*	.			trans	-133.5	164.5	175.8	62.2	0	0	0	0	110
195	G	95.4	Very high	96.1	Very high	53 Å²	53	51.2 Å²	51.2	55%	0.546	29%	0.293	S	S	.	.	H	α-helix	trans	62.6	-136	174.9	0	0	0	0	0	113.4	E197 Q198 E199	G195-E197 VanDerWaalsContact C-N 3.32Å; G195-E197 PolarHBondContact O-N 3.08Å; G195-Q198 PolarHBondContact O-N 2.93Å; G195-E199 PolarHBondContact O-N 3.39Å; G195-E199 VanDerWaalsContact O-N 3.16Å
196	A	96.1	Very high	96.1	Very high	87 Å²	87	49.8 Å²	49.8	72%	0.719	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-35.6	-173.8	0	0	0	0	0	113.4	E199 A200	A196-E199 PolarHBondContact O-N 2.95Å; A196-A200 WeakPolarHBondContact O-CB 3.43Å; A196-A200 PolarHBondContact O-N 2.84Å
197	E	95.5	Very high	96	Very high	91 Å²	91	48.6 Å²	48.6	43%	0.425	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-45.1	177.2	-174.5	-167.7	161.4	0	0	110.9	N190 A193 G195 E199 A200 Q201	N190-E197 PolarHBondContact ND2-OE1 2.71Å; N190-E197 VanDerWaalsContact ND2-OE1 3.08Å; A193-E197 HydrophobicContact CB-CB 4.17Å; A193-E197 VanDerWaalsContact CB-CD 3.48Å; A193-E197 HydrophobicContact CB-CG 3.84Å; G195-E197 VanDerWaalsContact C-N 3.32Å; G195-E197 PolarHBondContact O-N 3.08Å; E197-E199 PolarHBondContact O-N 3.25Å; E197-A200 PolarHBondContact O-N 3.38Å; E197-Q201 WeakPolarHBondContact O-CG 3.46Å; E197-Q201 PolarHBondContact O-N 2.9Å; E197-Q201 PolarHBondContact OE1-NE2 3.43Å
198	Q	95.7	Very high	96.1	Very high	64 Å²	64	49.2 Å²	49.2	30%	0.299	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-46.9	178.6	-172.5	-174.3	12.8	0	0	111.2	A193 G195 Q201 R202	A193-Q198 HydrophobicContact CB-CB 4.3Å; G195-Q198 PolarHBondContact O-N 2.93Å; Q198-Q201 PolarHBondContact O-N 3.19Å; Q198-R202 VanDerWaalsContact O-CB 3.23Å; Q198-R202 WeakPolarHBondContact O-CB 3.13Å; Q198-R202 PolarHBondContact O-N 2.91Å
199	E	95.3	Very high	96.1	Very high	102 Å²	102	49.1 Å²	49.1	48%	0.477	29%	0.293	S	S	.	.	H	α-helix	trans	-66.9	-37.8	-179.7	-171.4	55.9	-149.5	0	0	111.7	G195 A196 E197 R202 A203	G195-E199 PolarHBondContact O-N 3.39Å; G195-E199 VanDerWaalsContact O-N 3.16Å; A196-E199 PolarHBondContact O-N 2.95Å; E197-E199 PolarHBondContact O-N 3.25Å; E199-R202 PolarHBondContact O-N 3.47Å; E199-R202 IonicContact OE1-NH1 2.86Å; E199-R202 PolarHBondContact OE1-NH1 3.33Å; E199-R202 IonicContact OE2-NH1 2.84Å; E199-A203 VanDerWaalsContact O-CB 3.29Å; E199-A203 WeakPolarHBondContact O-CB 3.42Å; E199-A203 PolarHBondContact O-N 2.86Å
200	A	96.5	Very high	96.1	Very high	60 Å²	60	51.8 Å²	51.8	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-47	176.5	0	0	0	0	0	112.4	A196 E197 R202 A203 Q204	A196-A200 WeakPolarHBondContact O-CB 3.43Å; A196-A200 PolarHBondContact O-N 2.84Å; E197-A200 PolarHBondContact O-N 3.38Å; A200-R202 VanDerWaalsContact C-N 3.34Å; A200-R202 PolarHBondContact O-N 3.11Å; A200-A203 PolarHBondContact O-N 3.47Å; A200-Q204 WeakPolarHBondContact O-CB 3.39Å; A200-Q204 PolarHBondContact O-N 2.85Å
201	Q	96.8	Very high	96.1	Very high	10 Å²	10	57 Å²	57	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-40.6	177.1	-68.9	179.1	16.1	0	0	111.6	L189 N190 E197 Q198 Q204 L205	L189-Q201 HydrophobicContact CD2-CB 4.01Å; N190-Q201 PolarHBondContact O-OE1 3.2Å; E197-Q201 WeakPolarHBondContact O-CG 3.46Å; E197-Q201 PolarHBondContact O-N 2.9Å; E197-Q201 PolarHBondContact OE1-NE2 3.43Å; Q198-Q201 PolarHBondContact O-N 3.19Å; Q201-Q204 PolarHBondContact O-N 2.7Å; Q201-L205 WeakPolarHBondContact O-CB 2.85Å; Q201-L205 PolarHBondContact O-N 2.84Å
202	R	96.1	Very high	96.1	Very high	27 Å²	27	55 Å²	55	10%	0.102	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-46.2	175.2	-178.4	177.6	175.1	-92.2	-3.9	111.7	S49 I50 Q198 E199 A200 L205 L206	S49-R202 WeakPolarHBondContact O-CD 3.35Å; I50-R202 PolarHBondContact O-NE 3.3Å; Q198-R202 VanDerWaalsContact O-CB 3.23Å; Q198-R202 WeakPolarHBondContact O-CB 3.13Å; Q198-R202 PolarHBondContact O-N 2.91Å; E199-R202 PolarHBondContact O-N 3.47Å; E199-R202 IonicContact OE1-NH1 2.86Å; E199-R202 PolarHBondContact OE1-NH1 3.33Å; E199-R202 IonicContact OE2-NH1 2.84Å; A200-R202 VanDerWaalsContact C-N 3.34Å; A200-R202 PolarHBondContact O-N 3.11Å; R202-L205 PolarHBondContact O-N 2.91Å; R202-L206 HydrophobicContact CG-CD1 3.86Å; R202-L206 HydrophobicContact CG-CG 4.44Å; R202-L206 WeakPolarHBondContact O-CB 3.21Å; R202-L206 WeakPolarHBondContact O-CG 3.34Å; R202-L206 PolarHBondContact O-N 3.05Å
203	A	96.1	Very high	96.2	Very high	51 Å²	51	48.5 Å²	48.5	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-42.3	177.5	0	0	0	0	0	112	E199 A200 G207	E199-A203 VanDerWaalsContact O-CB 3.29Å; E199-A203 WeakPolarHBondContact O-CB 3.42Å; E199-A203 PolarHBondContact O-N 2.86Å; A200-A203 PolarHBondContact O-N 3.47Å; A203-G207 PolarHBondContact O-N 3.23Å
204	Q	96.5	Very high	96.2	Very high	111 Å²	111	54.4 Å²	54.4	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-59	-49.4	175.2	-177.9	-177.6	0.7	0	0	111.3	A200 Q201 G207 L208	A200-Q204 WeakPolarHBondContact O-CB 3.39Å; A200-Q204 PolarHBondContact O-N 2.85Å; Q201-Q204 PolarHBondContact O-N 2.7Å; Q204-G207 PolarHBondContact O-N 3.23Å; Q204-L208 PolarHBondContact O-N 3.14Å
205	L	97.3	Very high	96.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-47.4	-180	176.1	55.6	0	0	0	112.2	I50 L118 I152 L189 Q201 R202 G207 L208 I209	I50-L205 HydrophobicContact CD1-CD2 3.95Å; I50-L205 HydrophobicContact CG1-CD2 3.44Å; I50-L205 VanDerWaalsContact CG1-CD2 3.44Å; I50-L205 HydrophobicContact CG1-CG 4.45Å; L118-L205 HydrophobicContact CD1-CD1 4.41Å; I152-L205 HydrophobicContact CD1-CD1 3.51Å; L189-L205 HydrophobicContact CD1-CD2 3.82Å; L189-L205 HydrophobicContact CD2-CD2 4.35Å; Q201-L205 WeakPolarHBondContact O-CB 2.85Å; Q201-L205 PolarHBondContact O-N 2.84Å; R202-L205 PolarHBondContact O-N 2.91Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 2.91Å; L205-L208 WeakPolarHBondContact O-CB 3.47Å; L205-L208 PolarHBondContact O-N 3.18Å; L205-L208 VanDerWaalsContact O-N 3.14Å; L205-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CG1 4.21Å; L205-I209 HydrophobicContact CG-CD1 3.94Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.18Å
206	L	96.8	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-34.1	178.3	-68.2	173.1	0	0	0	111.8	I50 W76 L81 R202 I209 Q210	I50-L206 HydrophobicContact CG2-CD2 4.35Å; W76-L206 HydrophobicContact CD2-CD1 3.89Å; W76-L206 HydrophobicContact CG-CD1 4.04Å; W76-L206 HydrophobicContact CH2-CB 3.69Å; W76-L206 HydrophobicContact CZ2-CB 3.57Å; W76-L206 HydrophobicContact CZ2-CD1 3.97Å; W76-L206 HydrophobicContact CZ2-CG 4.33Å; W76-L206 HydrophobicContact CZ3-CB 4.35Å; L81-L206 HydrophobicContact CD1-CD2 4.01Å; L81-L206 HydrophobicContact CD2-CD2 3.89Å; R202-L206 HydrophobicContact CG-CD1 3.86Å; R202-L206 HydrophobicContact CG-CG 4.44Å; R202-L206 WeakPolarHBondContact O-CB 3.21Å; R202-L206 WeakPolarHBondContact O-CG 3.34Å; R202-L206 PolarHBondContact O-N 3.05Å; L206-I209 HydrophobicContact CD2-CD1 4.39Å; L206-I209 PolarHBondContact O-N 3.19Å; L206-Q210 WeakPolarHBondContact O-CG 3.49Å; L206-Q210 PolarHBondContact O-N 2.56Å
207	G	96.4	Very high	96.3	Very high	28 Å²	28	58 Å²	58	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-38.9	171.9	0	0	0	0	0	113.2	A203 Q204 L205 R211	A203-G207 PolarHBondContact O-N 3.23Å; Q204-G207 PolarHBondContact O-N 3.23Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 2.91Å; G207-R211 PolarHBondContact O-N 3.36Å; G207-R211 VanDerWaalsContact O-N 3.1Å
208	L	97.5	Very high	96.2	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-42.8	174.2	-177	57.6	0	0	0	111.6	I150 R185 C187 Q204 L205 Q210 R211 V212	I150-L208 HydrophobicContact CD1-CD2 4.43Å; I150-L208 HydrophobicContact CD1-CG 4.01Å; I150-L208 HydrophobicContact CG1-CG 4.41Å; I150-L208 HydrophobicContact CG2-CD2 3.56Å; I150-L208 HydrophobicContact CG2-CG 4.29Å; R185-L208 HydrophobicContact CB-CD1 4.38Å; R185-L208 HydrophobicContact CG-CD1 4.38Å; C187-L208 HydrophobicContact CB-CD2 4.22Å; Q204-L208 PolarHBondContact O-N 3.14Å; L205-L208 WeakPolarHBondContact O-CB 3.47Å; L205-L208 PolarHBondContact O-N 3.18Å; L205-L208 VanDerWaalsContact O-N 3.14Å; L208-Q210 PolarHBondContact O-N 2.82Å; L208-R211 VanDerWaalsContact O-CB 3.27Å; L208-R211 WeakPolarHBondContact O-CB 3.44Å; L208-R211 PolarHBondContact O-N 2.93Å; L208-R211 VanDerWaalsContact O-N 3.1Å; L208-V212 PolarHBondContact O-N 3.01Å
209	I	97.2	Very high	96	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-45.9	175.3	-68.1	165.5	0	0	0	110.8	L31 I33 A116 L118 I150 L205 L206 R211 V212 V213	L31-I209 HydrophobicContact CD1-CG2 3.97Å; L31-I209 HydrophobicContact CD2-CG2 3.82Å; L31-I209 HydrophobicContact CG-CG2 4.19Å; I33-I209 HydrophobicContact CD1-CD1 3.7Å; I33-I209 HydrophobicContact CD1-CG2 4.44Å; I33-I209 HydrophobicContact CG1-CD1 4.34Å; I33-I209 HydrophobicContact CG1-CG2 4.44Å; A116-I209 HydrophobicContact CB-CG1 4.31Å; A116-I209 HydrophobicContact CB-CG2 3.91Å; L118-I209 HydrophobicContact CD1-CD1 4.3Å; L118-I209 HydrophobicContact CD2-CD1 4.42Å; L118-I209 HydrophobicContact CD2-CG1 4.32Å; I150-I209 HydrophobicContact CD1-CB 4.42Å; I150-I209 HydrophobicContact CD1-CG1 3.67Å; L205-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CG1 4.21Å; L205-I209 HydrophobicContact CG-CD1 3.94Å; L205-I209 WeakPolarHBondContact O-CG1 3.36Å; L205-I209 PolarHBondContact O-N 3.18Å; L206-I209 HydrophobicContact CD2-CD1 4.39Å; L206-I209 PolarHBondContact O-N 3.19Å; I209-R211 PolarHBondContact O-N 2.84Å; I209-V212 WeakPolarHBondContact O-CB 3.08Å; I209-V212 PolarHBondContact O-N 2.85Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 2.93Å
210	Q	95.1	Very high	96	Very high	59 Å²	59	54.8 Å²	54.8	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-31.5	175.7	-75.9	-170.4	-40	0	0	113	W76 L206 L208 V213 R214	W76-Q210 HydrophobicContact CH2-CG 3.69Å; W76-Q210 HydrophobicContact CZ3-CG 3.8Å; W76-Q210 VanDerWaalsContact CZ3-NE2 3.28Å; L206-Q210 WeakPolarHBondContact O-CG 3.49Å; L206-Q210 PolarHBondContact O-N 2.56Å; L208-Q210 PolarHBondContact O-N 2.82Å; Q210-V213 PolarHBondContact O-N 3.26Å; Q210-R214 WeakPolarHBondContact O-CG 3.41Å; Q210-R214 PolarHBondContact O-N 2.56Å; Q210-R214 VanDerWaalsContact O-N 3.12Å; Q210-R214 PolarHBondContact O-NH1 3.17Å
211	R	96.9	Very high	95.9	Very high	129 Å²	129	52.2 Å²	52.2	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-46.8	174.6	-167.9	-166.7	-48.8	-164.1	2	111.1	G207 L208 I209 V213 R214 E215	G207-R211 PolarHBondContact O-N 3.36Å; G207-R211 VanDerWaalsContact O-N 3.1Å; L208-R211 VanDerWaalsContact O-CB 3.27Å; L208-R211 WeakPolarHBondContact O-CB 3.44Å; L208-R211 PolarHBondContact O-N 2.93Å; L208-R211 VanDerWaalsContact O-N 3.1Å; I209-R211 PolarHBondContact O-N 2.84Å; R211-V213 VanDerWaalsContact C-N 3.28Å; R211-V213 PolarHBondContact O-N 3.11Å; R211-R214 PolarHBondContact O-N 2.97Å; R211-E215 WeakPolarHBondContact CD-OE1 3.32Å; R211-E215 HydrophobicContact CG-CG 4.5Å; R211-E215 VanDerWaalsContact CG-OE1 3.29Å; R211-E215 WeakPolarHBondContact CG-OE1 3.33Å; R211-E215 WeakPolarHBondContact O-CG 3.32Å; R211-E215 PolarHBondContact O-N 2.72Å
212	V	97.7	Very high	95.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-43.9	174.8	171.2	0	0	0	0	111.6	I150 L208 I209 R214 E215 N216	I150-V212 HydrophobicContact CD1-CG2 3.75Å; I150-V212 HydrophobicContact CG1-CG2 3.75Å; L208-V212 PolarHBondContact O-N 3.01Å; I209-V212 WeakPolarHBondContact O-CB 3.08Å; I209-V212 PolarHBondContact O-N 2.85Å; V212-R214 PolarHBondContact O-N 2.76Å; V212-E215 PolarHBondContact O-N 2.94Å; V212-N216 PolarHBondContact O-N 2.9Å; V212-N216 PolarHBondContact O-ND2 2.75Å
213	V	95.6	Very high	95.3	Very high	12 Å²	12	55.3 Å²	55.3	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-45	178.6	176.1	0	0	0	0	111.5	L31 H115 I209 Q210 R211 N216 K217 E218	L31-V213 HydrophobicContact CD1-CG2 3.81Å; H115-V213 HydrophobicContact CB-CG2 3.81Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 2.93Å; Q210-V213 PolarHBondContact O-N 3.26Å; R211-V213 VanDerWaalsContact C-N 3.28Å; R211-V213 PolarHBondContact O-N 3.11Å; V213-N216 CarbonylContact O-C 3.57Å; V213-N216 PolarHBondContact O-N 3.25Å; V213-K217 PolarHBondContact O-N 3.21Å; V213-E218 WeakPolarHBondContact CG1-OE2 3.25Å; V213-E218 WeakPolarHBondContact O-CA 3.5Å; V213-E218 PolarHBondContact O-N 2.75Å
214	R	96	Very high	95	Very high	133 Å²	133	58.7 Å²	58.7	50%	0.502	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-45.2	175.9	-74.8	-172.6	-60.7	-89	1.3	112.5	Q210 R211 V212 N216 K217 E218	Q210-R214 WeakPolarHBondContact O-CG 3.41Å; Q210-R214 PolarHBondContact O-N 2.56Å; Q210-R214 VanDerWaalsContact O-N 3.12Å; Q210-R214 PolarHBondContact O-NH1 3.17Å; R211-R214 PolarHBondContact O-N 2.97Å; V212-R214 PolarHBondContact O-N 2.76Å; R214-N216 PolarHBondContact O-N 2.93Å; R214-K217 PolarHBondContact O-N 2.83Å; R214-E218 VanDerWaalsContact CG-OE1 3.28Å; R214-E218 WeakPolarHBondContact CG-OE1 3.43Å
215	E	96.6	Very high	94.5	Very high	104 Å²	104	54.9 Å²	54.9	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-31.3	177.5	-73.5	169.3	-174.6	0	0	111.6	R185 R211 V212 K217	R185-E215 IonicContact NH1-OE2 3.78Å; R211-E215 WeakPolarHBondContact CD-OE1 3.32Å; R211-E215 HydrophobicContact CG-CG 4.5Å; R211-E215 VanDerWaalsContact CG-OE1 3.29Å; R211-E215 WeakPolarHBondContact CG-OE1 3.33Å; R211-E215 WeakPolarHBondContact O-CG 3.32Å; R211-E215 PolarHBondContact O-N 2.72Å; V212-E215 PolarHBondContact O-N 2.94Å; E215-K217 VanDerWaalsContact C-N 3.35Å
216	N	96.3	Very high	94.2	Very high	30 Å²	30	54.9 Å²	54.9	16%	0.16	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	25.7	174.6	-67.5	-84.1	0	0	0	113.6	S147 F148 V212 V213 R214 E218 G219	S147-N216 WeakPolarHBondContact CB-OD1 3.33Å; S147-N216 PolarHBondContact O-ND2 3.48Å; S147-N216 PolarHBondContact OG-OD1 3.23Å; F148-N216 HydrophobicContact CD1-CB 4.14Å; F148-N216 HydrophobicContact CE1-CB 3.46Å; F148-N216 VanDerWaalsContact CE1-CB 3.46Å; F148-N216 WeakPolarHBondContact CE2-OD1 3.26Å; F148-N216 HydrophobicContact CZ-CB 3.75Å; F148-N216 WeakPolarHBondContact CZ-OD1 3.21Å; V212-N216 PolarHBondContact O-N 2.9Å; V212-N216 PolarHBondContact O-ND2 2.75Å; V213-N216 CarbonylContact O-C 3.57Å; V213-N216 PolarHBondContact O-N 3.25Å; R214-N216 PolarHBondContact O-N 2.93Å; N216-E218 VanDerWaalsContact C-N 3.34Å; N216-E218 PolarHBondContact O-N 2.79Å; N216-G219 PolarHBondContact O-N 3.18Å
217	K	94.8	Very high	94	Very high	193 Å²	193	59.7 Å²	59.7	84%	0.839	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	39.7	173.5	-53.4	176.6	-177.5	176.8	0	113.9	V213 R214 E215 G219	V213-K217 PolarHBondContact O-N 3.21Å; R214-K217 PolarHBondContact O-N 2.83Å; E215-K217 VanDerWaalsContact C-N 3.35Å; K217-G219 PolarHBondContact O-N 2.83Å; K217-G219 VanDerWaalsContact O-N 3.09Å
218	E	92.6	Very high	93.8	Very high	129 Å²	129	61.2 Å²	61.2	60%	0.603	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	13	-175.7	-52	-62	142.9	0	0	113.9	V213 R214 N216	V213-E218 WeakPolarHBondContact CG1-OE2 3.25Å; V213-E218 WeakPolarHBondContact O-CA 3.5Å; V213-E218 PolarHBondContact O-N 2.75Å; R214-E218 VanDerWaalsContact CG-OE1 3.28Å; R214-E218 WeakPolarHBondContact CG-OE1 3.43Å; N216-E218 VanDerWaalsContact C-N 3.34Å; N216-E218 PolarHBondContact O-N 2.79Å
219	G	92.6	Very high	93.5	Very high	28 Å²	28	60.5 Å²	60.5	29%	0.289	28%	0.279	S	S	.	.			trans	-83.2	166.9	178.3	0	0	0	0	0	113.1	N216 K217	N216-G219 PolarHBondContact O-N 3.18Å; K217-G219 PolarHBondContact O-N 2.83Å; K217-G219 VanDerWaalsContact O-N 3.09Å
220	C	94.9	Very high	93.4	Very high	31 Å²	31	61.3 Å²	61.3	21%	0.209	28%	0.283	C	S	.	.			trans	-108.6	156.3	167.8	64.4	0	0	0	0	110.7	G113 P114 H115 F148 T222	G113-C220 WeakPolarHBondContact O-CB 3.32Å; P114-C220 WeakPolarHBondContact O-CB 3.44Å; H115-C220 VanDerWaalsContact CD2-CB 3.46Å; H115-C220 WeakPolarHBondContact CD2-CB 3.41Å; F148-C220 VanDerWaalsContact CE1-C 3.44Å; C220-T222 PolarHBondContact O-N 2.92Å
221	Y	94.3	Very high	93.3	Very high	6 Å²	6	63.6 Å²	63.6	2%	0.024	29%	0.293	C	S	.	.			trans	-63.3	126.9	170.6	167.9	-105.2	0	0	0	109.4	G113 P114 L117 F141 R144 A145 F148 N223 Y226	G113-Y221 WeakPolarHBondContact CA-O 3.12Å; P114-Y221 HydrophobicContact CG-CD1 4.08Å; P114-Y221 PolarHBondContact O-N 2.83Å; L117-Y221 HydrophobicContact CD1-CD1 4.2Å; L117-Y221 HydrophobicContact CD1-CG 4.31Å; F141-Y221 AromaticContact CD1-CE1 3.87Å; F141-Y221 HydrophobicContact CD1-CE1 3.87Å; F141-Y221 PolarHBondContact O-OH 2.9Å; R144-Y221 HydrophobicContact CB-CE2 4.45Å; A145-Y221 HydrophobicContact CB-CD2 3.84Å; A145-Y221 HydrophobicContact CB-CE2 3.57Å; A145-Y221 HydrophobicContact CB-CG 4.45Å; F148-Y221 HydrophobicContact CD2-CD2 4.1Å; F148-Y221 HydrophobicContact CD2-CG 4.36Å; F148-Y221 VanDerWaalsContact CE1-N 3.27Å; F148-Y221 HydrophobicContact CE2-CD2 4.31Å; Y221-N223 PolarHBondContact OH-ND2 3.17Å; Y221-Y226 HydrophobicContact CD1-CD2 4.18Å; Y221-Y226 AromaticContact CD1-CE2 3.79Å; Y221-Y226 HydrophobicContact CD1-CE2 3.79Å; Y221-Y226 AromaticContact CE1-CD2 3.89Å; Y221-Y226 HydrophobicContact CE1-CD2 3.89Å; Y221-Y226 AromaticContact CE1-CE2 3.56Å; Y221-Y226 HydrophobicContact CE1-CE2 3.56Å
222	T	91.8	Very high	93.2	Very high	59 Å²	59	59.1 Å²	59.1	36%	0.362	28%	0.278	S	S	.	.			trans	-139.6	152	176.1	-161.9	0	0	0	0	110.9	P112 C220 Y226	P112-T222 PolarHBondContact O-OG1 2.92Å; C220-T222 PolarHBondContact O-N 2.92Å; T222-Y226 WeakPolarHBondContact OG1-CB 3.3Å
223	N	88.4	Confident	93	Very high	44 Å²	44	59.1 Å²	59.1	24%	0.235	28%	0.278	C	S	.	.			trans	-145.9	-177.4	175.8	70.4	18.3	0	0	0	109	Y221 M225 Y226 Q227	Y221-N223 PolarHBondContact OH-ND2 3.17Å; N223-M225 PolarHBondContact O-N 3.31Å; N223-M225 WeakPolarHBondContact OD1-CA 3.49Å; N223-M225 WeakPolarHBondContact OD1-CB 3.43Å; N223-M225 PolarHBondContact OD1-N 3.41Å; N223-Y226 PolarHBondContact O-N 2.91Å; N223-Y226 VanDerWaalsContact O-N 3.17Å; N223-Y226 WeakPolarHBondContact OD1-CD2 3.42Å; N223-Y226 PolarHBondContact OD1-N 3.3Å; N223-Q227 WeakPolarHBondContact O-CG 3.38Å; N223-Q227 PolarHBondContact O-N 3.2Å
224	R	88.8	Confident	92.9	Very high	121 Å²	121	62.5 Å²	62.5	46%	0.457	29%	0.293	S	S	.	.	H	α-helix	trans	-57.9	-33.5	-179.1	-166.9	178.9	-172.5	178.6	3.1	113.4	R228 F326	R224-R228 WeakPolarHBondContact O-CG 3.18Å; R224-R228 PolarHBondContact O-N 2.97Å; R224-R228 VanDerWaalsContact O-N 3.11Å; R224-F326 VanDerWaalsContact NH1-CE2 3.35Å
225	M	86.7	Confident	92.8	Very high	32 Å²	32	61.7 Å²	61.7	16%	0.158	29%	0.293	C	S	.	.	H	α-helix	trans	-73.5	-42.3	178	-67.9	-62.5	-69	0	0	111.7	I107 N223 R228 A229 L315	I107-M225 HydrophobicContact CD1-CB 3.87Å; N223-M225 PolarHBondContact O-N 3.31Å; N223-M225 WeakPolarHBondContact OD1-CA 3.49Å; N223-M225 WeakPolarHBondContact OD1-CB 3.43Å; N223-M225 PolarHBondContact OD1-N 3.41Å; M225-R228 PolarHBondContact O-N 3.39Å; M225-A229 VanDerWaalsContact O-CB 3.24Å; M225-A229 WeakPolarHBondContact O-CB 3.35Å; M225-A229 PolarHBondContact O-N 3.45Å; M225-L315 HydrophobicContact CE-CB 4.45Å
226	Y	91.1	Very high	92.7	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-41.2	172.6	-84.4	-73.8	0	0	0	112.4	I107 T110 P114 Y221 T222 N223 A229 E230	I107-Y226 HydrophobicContact CB-CD1 4.48Å; I107-Y226 HydrophobicContact CB-CE1 4.11Å; I107-Y226 HydrophobicContact CG1-CE1 4.21Å; I107-Y226 HydrophobicContact CG1-CE2 4.05Å; I107-Y226 HydrophobicContact CG2-CD1 3.71Å; I107-Y226 HydrophobicContact CG2-CE1 3.83Å; I107-Y226 HydrophobicContact CG2-CG 4.09Å; T110-Y226 VanDerWaalsContact OG1-CE1 3.32Å; T110-Y226 WeakPolarHBondContact OG1-CE1 3.48Å; T110-Y226 PolarHBondContact OG1-OH 3.33Å; P114-Y226 VanDerWaalsContact CD-CZ 3.45Å; P114-Y226 WeakPolarHBondContact CD-OH 3.37Å; Y221-Y226 HydrophobicContact CD1-CD2 4.18Å; Y221-Y226 AromaticContact CD1-CE2 3.79Å; Y221-Y226 HydrophobicContact CD1-CE2 3.79Å; Y221-Y226 AromaticContact CE1-CD2 3.89Å; Y221-Y226 HydrophobicContact CE1-CD2 3.89Å; Y221-Y226 AromaticContact CE1-CE2 3.56Å; Y221-Y226 HydrophobicContact CE1-CE2 3.56Å; T222-Y226 WeakPolarHBondContact OG1-CB 3.3Å; N223-Y226 PolarHBondContact O-N 2.91Å; N223-Y226 VanDerWaalsContact O-N 3.17Å; N223-Y226 WeakPolarHBondContact OD1-CD2 3.42Å; N223-Y226 PolarHBondContact OD1-N 3.3Å; Y226-A229 PolarHBondContact O-N 3.18Å; Y226-E230 WeakPolarHBondContact O-CB 3.27Å; Y226-E230 PolarHBondContact O-N 3.18Å
227	Q	92.4	Very high	92.7	Very high	100 Å²	100	58.3 Å²	58.3	47%	0.467	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-50.4	176.7	-71.9	168.7	-11	0	0	111.2	N223 A229 E230 E231	N223-Q227 WeakPolarHBondContact O-CG 3.38Å; N223-Q227 PolarHBondContact O-N 3.2Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; Q227-A229 PolarHBondContact O-N 3.22Å; Q227-E230 PolarHBondContact O-N 3.2Å; Q227-E231 WeakPolarHBondContact O-CB 3.29Å; Q227-E231 VanDerWaalsContact O-CG 3.31Å; Q227-E231 WeakPolarHBondContact O-CG 3.23Å; Q227-E231 PolarHBondContact O-N 3.37Å
228	R	91.7	Very high	92.7	Very high	60 Å²	60	54.9 Å²	54.9	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-41.6	176.2	-74.6	176.7	172.1	-170.6	-3.6	112.9	R224 M225 E231 E232 L315 A318 L322	R224-R228 WeakPolarHBondContact O-CG 3.18Å; R224-R228 PolarHBondContact O-N 2.97Å; R224-R228 VanDerWaalsContact O-N 3.11Å; M225-R228 PolarHBondContact O-N 3.39Å; R228-E231 PolarHBondContact O-N 3.34Å; R228-E232 PolarHBondContact O-N 3.36Å; R228-L315 HydrophobicContact CB-CD2 3.75Å; R228-A318 PolarHBondContact NH1-O 3.03Å; R228-L322 VanDerWaalsContact NH1-CG 3.29Å
229	A	91.6	Very high	92.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-44.3	176.9	0	0	0	0	0	111.1	I107 L108 S111 M225 Y226 Q227 E232 I233 L315	I107-A229 HydrophobicContact CG2-CB 3.6Å; L108-A229 HydrophobicContact CD2-CB 3.96Å; S111-A229 WeakPolarHBondContact OG-CB 3.47Å; M225-A229 VanDerWaalsContact O-CB 3.24Å; M225-A229 WeakPolarHBondContact O-CB 3.35Å; M225-A229 PolarHBondContact O-N 3.45Å; Y226-A229 PolarHBondContact O-N 3.18Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; Q227-A229 PolarHBondContact O-N 3.22Å; A229-E232 PolarHBondContact O-N 3.01Å; A229-I233 WeakPolarHBondContact O-CD1 3.33Å; A229-I233 WeakPolarHBondContact O-CG1 3.48Å; A229-I233 PolarHBondContact O-N 3.2Å; A229-L315 HydrophobicContact CB-CD1 3.77Å; A229-L315 HydrophobicContact CB-CD2 4.48Å
230	E	94.7	Very high	92.9	Very high	17 Å²	17	50.8 Å²	50.8	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-41.9	176.8	-178.7	61.2	-165.6	0	0	112	R27 P112 Y226 Q227 E232 I233 Q234 R298	R27-E230 IonicContact CZ-OE1 3.32Å; R27-E230 IonicContact NH1-OE1 3.27Å; R27-E230 PolarHBondContact NH1-OE1 3.05Å; R27-E230 VanDerWaalsContact NH1-OE1 3.08Å; R27-E230 IonicContact NH1-OE2 3.61Å; R27-E230 IonicContact NH2-OE1 3.58Å; R27-E230 PolarHBondContact NH2-OE1 3.45Å; P112-E230 HydrophobicContact CB-CB 4.4Å; P112-E230 HydrophobicContact CB-CG 4.02Å; Y226-E230 WeakPolarHBondContact O-CB 3.27Å; Y226-E230 PolarHBondContact O-N 3.18Å; Q227-E230 PolarHBondContact O-N 3.2Å; E230-E232 VanDerWaalsContact C-N 3.34Å; E230-E232 PolarHBondContact O-N 2.84Å; E230-I233 PolarHBondContact O-N 2.99Å; E230-Q234 HydrophobicContact CG-CG 4.32Å; E230-Q234 WeakPolarHBondContact O-CB 3.41Å; E230-Q234 WeakPolarHBondContact O-CG 3.29Å; E230-Q234 PolarHBondContact O-N 3.38Å; E230-Q234 PolarHBondContact OE1-NE2 3.45Å; E230-R298 VanDerWaalsContact CD-NH1 3.26Å; E230-R298 IonicContact OE1-CZ 3.29Å; E230-R298 IonicContact OE1-NH1 2.88Å; E230-R298 PolarHBondContact OE1-NH1 3.05Å; E230-R298 IonicContact OE1-NH2 3.29Å; E230-R298 IonicContact OE2-CZ 3.97Å; E230-R298 VanDerWaalsContact OE2-CZ 3.26Å; E230-R298 IonicContact OE2-NH1 3.69Å; E230-R298 PolarHBondContact OE2-NH1 2.81Å; E230-R298 IonicContact OE2-NH2 2.72Å; E230-R298 PolarHBondContact OE2-NH2 3Å
231	E	94.3	Very high	93	Very high	106 Å²	106	53 Å²	53	50%	0.495	26%	0.255	S	S	.	.	H	α-helix	trans	-56.5	-47.2	174.1	-76.3	169.3	-165.7	0	0	111.4	Q227 R228 Q234 K235	Q227-E231 WeakPolarHBondContact O-CB 3.29Å; Q227-E231 VanDerWaalsContact O-CG 3.31Å; Q227-E231 WeakPolarHBondContact O-CG 3.23Å; Q227-E231 PolarHBondContact O-N 3.37Å; R228-E231 PolarHBondContact O-N 3.34Å; E231-Q234 PolarHBondContact O-N 2.83Å; E231-K235 WeakPolarHBondContact O-CG 3.24Å; E231-K235 PolarHBondContact O-N 2.82Å
232	E	93.5	Very high	93.1	Very high	36 Å²	36	57.1 Å²	57.1	17%	0.168	27%	0.274	C	S	.	.	H	α-helix	trans	-69.7	-40.8	-179.5	-167.9	58.1	-144.1	0	0	111.7	R228 A229 E230 Q234 K235 Q236 I311	R228-E232 PolarHBondContact O-N 3.36Å; A229-E232 PolarHBondContact O-N 3.01Å; E230-E232 VanDerWaalsContact C-N 3.34Å; E230-E232 PolarHBondContact O-N 2.84Å; E232-Q234 VanDerWaalsContact C-N 3.28Å; E232-Q234 PolarHBondContact O-N 3.44Å; E232-K235 PolarHBondContact O-N 3.07Å; E232-K235 IonicContact OE2-NZ 2.91Å; E232-K235 PolarHBondContact OE2-NZ 2.89Å; E232-Q236 WeakPolarHBondContact O-CG 3.42Å; E232-Q236 PolarHBondContact O-N 2.88Å; E232-Q236 PolarHBondContact OE1-NE2 3.33Å; E232-I311 HydrophobicContact CB-CG2 3.86Å; E232-I311 HydrophobicContact CG-CB 4.1Å; E232-I311 HydrophobicContact CG-CD1 4.2Å; E232-I311 HydrophobicContact CG-CG1 3.73Å; E232-I311 HydrophobicContact CG-CG2 3.67Å
233	I	93.7	Very high	93.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-39.4	173.5	-64.6	161.8	0	0	0	110.6	L108 A229 E230 Q236 T237 R298 V301 I311	L108-I233 HydrophobicContact CD2-CD1 3.92Å; L108-I233 HydrophobicContact CD2-CG1 4.17Å; A229-I233 WeakPolarHBondContact O-CD1 3.33Å; A229-I233 WeakPolarHBondContact O-CG1 3.48Å; A229-I233 PolarHBondContact O-N 3.2Å; E230-I233 PolarHBondContact O-N 2.99Å; I233-Q236 PolarHBondContact O-N 3.02Å; I233-T237 VanDerWaalsContact O-CB 3.26Å; I233-T237 WeakPolarHBondContact O-CB 3.06Å; I233-T237 PolarHBondContact O-N 3.42Å; I233-T237 PolarHBondContact O-OG1 3.45Å; I233-R298 HydrophobicContact CG2-CG 4.11Å; I233-R298 VanDerWaalsContact CG2-CZ 3.42Å; I233-V301 HydrophobicContact CG2-CG1 4.1Å; I233-I311 HydrophobicContact CB-CD1 4.49Å; I233-I311 HydrophobicContact CG1-CD1 3.8Å
234	Q	94.5	Very high	93.6	Very high	83 Å²	83	56.2 Å²	56.2	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-43.8	177.4	-77	177.2	9.7	0	0	111.9	E230 E231 E232 Q236 T237 Q238	E230-Q234 HydrophobicContact CG-CG 4.32Å; E230-Q234 WeakPolarHBondContact O-CB 3.41Å; E230-Q234 WeakPolarHBondContact O-CG 3.29Å; E230-Q234 PolarHBondContact O-N 3.38Å; E230-Q234 PolarHBondContact OE1-NE2 3.45Å; E231-Q234 PolarHBondContact O-N 2.83Å; E232-Q234 VanDerWaalsContact C-N 3.28Å; E232-Q234 PolarHBondContact O-N 3.44Å; Q234-Q236 PolarHBondContact O-N 3.42Å; Q234-T237 PolarHBondContact O-N 3.17Å; Q234-Q238 WeakPolarHBondContact O-CB 3.5Å; Q234-Q238 VanDerWaalsContact O-CG 3.31Å; Q234-Q238 WeakPolarHBondContact O-CG 3.46Å; Q234-Q238 PolarHBondContact O-N 3.18Å
235	K	94.4	Very high	94	Very high	116 Å²	116	57.2 Å²	57.2	50%	0.504	27%	0.271	S	S	.	.	H	α-helix	trans	-57.6	-48.8	174.2	-71.5	174.2	-166.8	165.5	0	111.8	E231 E232 T237 Q238 A239	E231-K235 WeakPolarHBondContact O-CG 3.24Å; E231-K235 PolarHBondContact O-N 2.82Å; E232-K235 PolarHBondContact O-N 3.07Å; E232-K235 IonicContact OE2-NZ 2.91Å; E232-K235 PolarHBondContact OE2-NZ 2.89Å; K235-T237 VanDerWaalsContact C-N 3.31Å; K235-T237 PolarHBondContact O-N 3.37Å; K235-Q238 PolarHBondContact O-N 2.78Å; K235-A239 WeakPolarHBondContact O-CB 3.34Å; K235-A239 PolarHBondContact O-N 2.82Å
236	Q	94.4	Very high	94.5	Very high	49 Å²	49	58.2 Å²	58.2	23%	0.229	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-36.1	178.4	-61.2	-57.9	-35.2	0	0	111.6	E232 I233 Q234 A239 M240 V301 I307 I311	E232-Q236 WeakPolarHBondContact O-CG 3.42Å; E232-Q236 PolarHBondContact O-N 2.88Å; E232-Q236 PolarHBondContact OE1-NE2 3.33Å; I233-Q236 PolarHBondContact O-N 3.02Å; Q234-Q236 PolarHBondContact O-N 3.42Å; Q236-A239 PolarHBondContact O-N 3.23Å; Q236-M240 WeakPolarHBondContact O-CB 3.3Å; Q236-M240 PolarHBondContact O-N 3.11Å; Q236-V301 HydrophobicContact CB-CG1 3.85Å; Q236-V301 HydrophobicContact CB-CG2 3.96Å; Q236-I307 HydrophobicContact CB-CG2 3.98Å; Q236-I307 HydrophobicContact CG-CG2 3.81Å; Q236-I311 HydrophobicContact CG-CD1 3.99Å; Q236-I311 HydrophobicContact CG-CG1 4.23Å
237	T	94.9	Very high	94.8	Very high	14 Å²	14	60.9 Å²	60.9	9%	0.086	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-45.2	176.2	-60.7	0	0	0	0	111.1	I233 Q234 K235 M240 Q241 A297 R298	I233-T237 VanDerWaalsContact O-CB 3.26Å; I233-T237 WeakPolarHBondContact O-CB 3.06Å; I233-T237 PolarHBondContact O-N 3.42Å; I233-T237 PolarHBondContact O-OG1 3.45Å; Q234-T237 PolarHBondContact O-N 3.17Å; K235-T237 VanDerWaalsContact C-N 3.31Å; K235-T237 PolarHBondContact O-N 3.37Å; T237-M240 WeakPolarHBondContact O-CB 3.42Å; T237-M240 PolarHBondContact O-N 2.79Å; T237-Q241 VanDerWaalsContact O-CG 3.31Å; T237-Q241 WeakPolarHBondContact O-CG 3.45Å; T237-Q241 PolarHBondContact O-N 3Å; T237-A297 HydrophobicContact CG2-CB 4.15Å; T237-R298 HydrophobicContact CG2-CB 3.9Å
238	Q	95.7	Very high	95	Very high	121 Å²	121	57 Å²	57	57%	0.565	27%	0.273	S	S	*	.	H	α-helix	trans	-63.9	-44.1	176.9	-72.9	173.1	-1.4	0	0	111.4	Q234 K235 M240 Q241 E242	Q234-Q238 WeakPolarHBondContact O-CB 3.5Å; Q234-Q238 VanDerWaalsContact O-CG 3.31Å; Q234-Q238 WeakPolarHBondContact O-CG 3.46Å; Q234-Q238 PolarHBondContact O-N 3.18Å; K235-Q238 PolarHBondContact O-N 2.78Å; Q238-M240 VanDerWaalsContact C-N 3.3Å; Q238-M240 PolarHBondContact O-N 3.14Å; Q238-Q241 PolarHBondContact O-N 2.76Å; Q238-E242 PolarHBondContact O-N 2.79Å
239	A	95.4	Very high	95.3	Very high	58 Å²	58	58.6 Å²	58.6	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-41	174.9	0	0	0	0	0	111.9	K235 Q236 E242 L243	K235-A239 WeakPolarHBondContact O-CB 3.34Å; K235-A239 PolarHBondContact O-N 2.82Å; Q236-A239 PolarHBondContact O-N 3.23Å; A239-E242 PolarHBondContact O-N 2.88Å; A239-L243 WeakPolarHBondContact O-CB 3.44Å; A239-L243 PolarHBondContact O-N 2.83Å
240	M	94.3	Very high	95.6	Very high	13 Å²	13	67.2 Å²	67.2	6%	0.064	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-40.8	175.6	-169.4	69.2	69.8	0	0	112.3	Q236 T237 Q238 L243 H244 A297 E300 V301 K304 I307	Q236-M240 WeakPolarHBondContact O-CB 3.3Å; Q236-M240 PolarHBondContact O-N 3.11Å; T237-M240 WeakPolarHBondContact O-CB 3.42Å; T237-M240 PolarHBondContact O-N 2.79Å; Q238-M240 VanDerWaalsContact C-N 3.3Å; Q238-M240 PolarHBondContact O-N 3.14Å; M240-L243 WeakPolarHBondContact O-CB 3.42Å; M240-L243 PolarHBondContact O-N 3.23Å; M240-L243 HydrophobicContact SD-CD2 4.27Å; M240-H244 WeakPolarHBondContact CG-NE2 3.32Å; M240-H244 PolarHBondContact O-CD2 3.33Å; M240-H244 VanDerWaalsContact O-CD2 3.22Å; M240-H244 VanDerWaalsContact O-CG 3.3Å; M240-H244 PolarHBondContact O-N 2.77Å; M240-A297 HydrophobicContact CB-CB 4.2Å; M240-A297 HydrophobicContact CG-CB 4.06Å; M240-E300 HydrophobicContact CE-CG 4.26Å; M240-E300 HydrophobicContact SD-CG 4.47Å; M240-V301 HydrophobicContact CB-CG2 4.25Å; M240-V301 HydrophobicContact CE-CG2 4.27Å; M240-K304 HydrophobicContact CE-CD 3.92Å; M240-I307 HydrophobicContact CE-CD1 3.64Å
241	Q	96.2	Very high	95.7	Very high	76 Å²	76	67.7 Å²	67.7	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-41.8	176.1	-74.8	173.5	-27.7	0	0	112	T237 Q238 H244 R245 Q294 A297	T237-Q241 VanDerWaalsContact O-CG 3.31Å; T237-Q241 WeakPolarHBondContact O-CG 3.45Å; T237-Q241 PolarHBondContact O-N 3Å; Q238-Q241 PolarHBondContact O-N 2.76Å; Q241-H244 PolarHBondContact O-N 3.07Å; Q241-R245 PolarHBondContact O-N 3.01Å; Q241-Q294 PolarHBondContact NE2-O 3.49Å; Q241-Q294 VanDerWaalsContact NE2-O 3.15Å; Q241-A297 HydrophobicContact CG-CB 3.49Å; Q241-A297 VanDerWaalsContact CG-CB 3.49Å
242	E	96.5	Very high	95.9	Very high	94 Å²	94	63.6 Å²	63.6	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-67.7	-39.5	176.3	-173.7	56.8	-157	0	0	111.4	Q238 A239 H244 R245 V246	Q238-E242 PolarHBondContact O-N 2.79Å; A239-E242 PolarHBondContact O-N 2.88Å; E242-H244 PolarHBondContact O-N 2.75Å; E242-R245 WeakPolarHBondContact O-CB 3.33Å; E242-R245 PolarHBondContact O-N 2.94Å; E242-R245 VanDerWaalsContact O-N 3.13Å; E242-R245 WeakPolarHBondContact OE2-CD 3.34Å; E242-R245 IonicContact OE2-NH1 3.39Å; E242-V246 WeakPolarHBondContact O-CG2 3.47Å; E242-V246 PolarHBondContact O-N 3.21Å
243	L	95.8	Very high	96.1	Very high	83 Å²	83	64.6 Å²	64.6	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-56.1	-50.2	171.5	178.4	64.6	0	0	0	111.2	A239 M240 R245 V246 E247	A239-L243 WeakPolarHBondContact O-CB 3.44Å; A239-L243 PolarHBondContact O-N 2.83Å; M240-L243 WeakPolarHBondContact O-CB 3.42Å; M240-L243 PolarHBondContact O-N 3.23Å; M240-L243 HydrophobicContact SD-CD2 4.27Å; L243-R245 VanDerWaalsContact C-N 3.25Å; L243-R245 PolarHBondContact O-N 3.14Å; L243-V246 PolarHBondContact O-N 3.17Å; L243-E247 HydrophobicContact CD1-CG 4.41Å; L243-E247 WeakPolarHBondContact O-CB 3.4Å; L243-E247 WeakPolarHBondContact O-CG 3.46Å; L243-E247 PolarHBondContact O-N 3.4Å
244	H	95.9	Very high	96.3	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-35.9	177	-68.9	-30.3	0	0	0	112.2	M240 Q241 E242 E247 L248 Y290 R293 Q294 E300	M240-H244 WeakPolarHBondContact CG-NE2 3.32Å; M240-H244 PolarHBondContact O-CD2 3.33Å; M240-H244 VanDerWaalsContact O-CD2 3.22Å; M240-H244 VanDerWaalsContact O-CG 3.3Å; M240-H244 PolarHBondContact O-N 2.77Å; Q241-H244 PolarHBondContact O-N 3.07Å; E242-H244 PolarHBondContact O-N 2.75Å; H244-E247 IonicContact ND1-OE2 3.58Å; H244-L248 WeakPolarHBondContact O-CB 3.25Å; H244-L248 PolarHBondContact O-N 2.88Å; H244-Y290 HydrophobicContact CB-CD1 4.15Å; H244-Y290 WeakPolarHBondContact O-CD1 3.35Å; H244-Y290 WeakPolarHBondContact O-CE1 3.22Å; H244-R293 VanDerWaalsContact CE1-CZ 3.45Å; H244-R293 PolarHBondContact CE1-NH2 3.17Å; H244-R293 VanDerWaalsContact ND1-CZ 3.32Å; H244-R293 PolarHBondContact ND1-NH2 3.4Å; H244-R293 VanDerWaalsContact ND1-NH2 3.19Å; H244-Q294 HydrophobicContact CB-CG 3.86Å; H244-E300 IonicContact CE1-OE1 3.08Å; H244-E300 IonicContact CE1-OE2 3.45Å; H244-E300 PolarHBondContact CE1-OE2 3.08Å; H244-E300 VanDerWaalsContact CE1-OE2 3.29Å; H244-E300 IonicContact NE2-OE2 3.78Å; H244-E300 PolarHBondContact NE2-OE2 3.27Å
245	R	96.4	Very high	96.4	Very high	143 Å²	143	67.6 Å²	67.6	54%	0.54	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-46	176.4	-172.3	-173.8	-178.2	-176.2	0.6	111.9	Q241 E242 L243 L248 E249	Q241-R245 PolarHBondContact O-N 3.01Å; E242-R245 WeakPolarHBondContact O-CB 3.33Å; E242-R245 PolarHBondContact O-N 2.94Å; E242-R245 VanDerWaalsContact O-N 3.13Å; E242-R245 WeakPolarHBondContact OE2-CD 3.34Å; E242-R245 IonicContact OE2-NH1 3.39Å; L243-R245 VanDerWaalsContact C-N 3.25Å; L243-R245 PolarHBondContact O-N 3.14Å; R245-L248 PolarHBondContact O-N 3.11Å; R245-E249 PolarHBondContact O-N 3.49Å
246	V	97.5	Very high	96.5	Very high	53 Å²	53	67.3 Å²	67.3	32%	0.321	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-41	177.4	173.5	0	0	0	0	111	E242 L243 E249 R250	E242-V246 WeakPolarHBondContact O-CG2 3.47Å; E242-V246 PolarHBondContact O-N 3.21Å; L243-V246 PolarHBondContact O-N 3.17Å; V246-E249 PolarHBondContact O-N 2.89Å; V246-R250 WeakPolarHBondContact O-CG 3.47Å; V246-R250 PolarHBondContact O-N 3.28Å
247	E	96.9	Very high	96.7	Very high	57 Å²	57	71.4 Å²	71.4	27%	0.266	34%	0.335	S	S	.	.	H	α-helix	trans	-59.4	-45.5	173.8	-76.1	-178.6	176.8	0	0	111.8	L243 H244 R250 E251 Y290 R293	L243-E247 HydrophobicContact CD1-CG 4.41Å; L243-E247 WeakPolarHBondContact O-CB 3.4Å; L243-E247 WeakPolarHBondContact O-CG 3.46Å; L243-E247 PolarHBondContact O-N 3.4Å; H244-E247 IonicContact ND1-OE2 3.58Å; E247-R250 PolarHBondContact O-N 2.85Å; E247-E251 WeakPolarHBondContact O-CB 3.32Å; E247-E251 PolarHBondContact O-N 2.84Å; E247-Y290 HydrophobicContact CB-CE1 3.54Å; E247-R293 IonicContact OE2-CZ 3.94Å; E247-R293 IonicContact OE2-NH1 2.9Å; E247-R293 PolarHBondContact OE2-NH1 3.28Å; E247-R293 IonicContact OE2-NH2 2.9Å; E247-R293 PolarHBondContact OE2-NH2 3.34Å
248	L	97.4	Very high	96.8	Very high	17 Å²	17	73.9 Å²	73.9	9%	0.089	35%	0.346	C	S	.	.	H	α-helix	trans	-58.5	-50.6	175.5	174.8	61.4	0	0	0	111.3	H244 R245 R250 E251 K252 Q286 E287 Y290	H244-L248 WeakPolarHBondContact O-CB 3.25Å; H244-L248 PolarHBondContact O-N 2.88Å; R245-L248 PolarHBondContact O-N 3.11Å; L248-R250 VanDerWaalsContact C-N 3.31Å; L248-R250 PolarHBondContact O-N 3.16Å; L248-E251 WeakPolarHBondContact O-CB 3.45Å; L248-E251 PolarHBondContact O-N 3.32Å; L248-E251 VanDerWaalsContact O-N 3.14Å; L248-K252 HydrophobicContact CD1-CD 3.79Å; L248-K252 HydrophobicContact CD1-CG 3.8Å; L248-K252 HydrophobicContact CD2-CD 4.37Å; L248-K252 HydrophobicContact CG-CD 3.74Å; L248-K252 HydrophobicContact CG-CG 4.16Å; L248-K252 WeakPolarHBondContact O-CB 3.43Å; L248-K252 WeakPolarHBondContact O-CG 3.31Å; L248-K252 PolarHBondContact O-N 2.57Å; L248-Q286 HydrophobicContact CD1-CB 4.14Å; L248-E287 HydrophobicContact CD1-CG 4.26Å; L248-E287 HydrophobicContact CD2-CG 4.41Å; L248-Y290 HydrophobicContact CB-CD1 3.89Å; L248-Y290 HydrophobicContact CB-CD2 3.97Å; L248-Y290 HydrophobicContact CB-CE1 4.31Å; L248-Y290 HydrophobicContact CB-CE2 4.37Å; L248-Y290 HydrophobicContact CB-CG 3.69Å; L248-Y290 HydrophobicContact CD1-CD2 3.57Å; L248-Y290 HydrophobicContact CD1-CE2 4.24Å; L248-Y290 HydrophobicContact CD1-CG 3.95Å; L248-Y290 HydrophobicContact CG-CD2 4.3Å; L248-Y290 HydrophobicContact CG-CG 4.23Å
249	E	97.3	Very high	96.9	Very high	94 Å²	94	69.3 Å²	69.3	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-63.3	-36.8	-178	-70.7	-56.8	134.4	0	0	112.5	R245 V246 K252 A253	R245-E249 PolarHBondContact O-N 3.49Å; V246-E249 PolarHBondContact O-N 2.89Å; E249-K252 PolarHBondContact O-N 3.34Å; E249-K252 IonicContact OE1-NZ 3.28Å; E249-K252 PolarHBondContact OE1-NZ 3.36Å; E249-A253 WeakPolarHBondContact O-CB 3.4Å; E249-A253 PolarHBondContact O-N 2.99Å
250	R	97.6	Very high	96.9	Very high	182 Å²	182	72 Å²	72	69%	0.687	33%	0.326	S	S	*	.	H	α-helix	trans	-63.1	-43.9	172.2	-72.1	175.4	-179.3	175.9	1.7	112	V246 E247 L248 A253 R254	V246-R250 WeakPolarHBondContact O-CG 3.47Å; V246-R250 PolarHBondContact O-N 3.28Å; E247-R250 PolarHBondContact O-N 2.85Å; L248-R250 VanDerWaalsContact C-N 3.31Å; L248-R250 PolarHBondContact O-N 3.16Å; R250-A253 PolarHBondContact O-N 3.47Å; R250-R254 PolarHBondContact O-N 3.06Å
251	E	96.8	Very high	97	Very high	26 Å²	26	75.2 Å²	75.2	12%	0.121	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-43.8	177.8	-174.2	59	-146.3	0	0	111.6	E247 L248 A253 R254 I255 Q286	E247-E251 WeakPolarHBondContact O-CB 3.32Å; E247-E251 PolarHBondContact O-N 2.84Å; L248-E251 WeakPolarHBondContact O-CB 3.45Å; L248-E251 PolarHBondContact O-N 3.32Å; L248-E251 VanDerWaalsContact O-N 3.14Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.43Å; E251-R254 VanDerWaalsContact CD-CZ 3.48Å; E251-R254 PolarHBondContact O-N 3.42Å; E251-R254 IonicContact OE1-CZ 2.92Å; E251-R254 VanDerWaalsContact OE1-CZ 3.3Å; E251-R254 IonicContact OE1-NE 3.64Å; E251-R254 IonicContact OE1-NH2 2.69Å; E251-R254 PolarHBondContact OE1-NH2 3.1Å; E251-R254 IonicContact OE2-CZ 3.06Å; E251-R254 IonicContact OE2-NE 3.18Å; E251-R254 IonicContact OE2-NH1 2.63Å; E251-R254 PolarHBondContact OE2-NH1 2.92Å; E251-R254 IonicContact OE2-NH2 3.3Å; E251-R254 PolarHBondContact OE2-NH2 2.7Å; E251-I255 HydrophobicContact CG-CD1 3.96Å; E251-I255 WeakPolarHBondContact O-CG1 3.33Å; E251-I255 PolarHBondContact O-N 2.93Å; E251-Q286 HydrophobicContact CG-CG 4.04Å
252	K	97.9	Very high	96.9	Very high	21 Å²	21	75.7 Å²	75.7	9%	0.091	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-43.7	176.2	-69.3	177.4	59.9	175.2	0	111.3	L248 E249 I255 R256 L283 E287	L248-K252 HydrophobicContact CD1-CD 3.79Å; L248-K252 HydrophobicContact CD1-CG 3.8Å; L248-K252 HydrophobicContact CD2-CD 4.37Å; L248-K252 HydrophobicContact CG-CD 3.74Å; L248-K252 HydrophobicContact CG-CG 4.16Å; L248-K252 WeakPolarHBondContact O-CB 3.43Å; L248-K252 WeakPolarHBondContact O-CG 3.31Å; L248-K252 PolarHBondContact O-N 2.57Å; E249-K252 PolarHBondContact O-N 3.34Å; E249-K252 IonicContact OE1-NZ 3.28Å; E249-K252 PolarHBondContact OE1-NZ 3.36Å; K252-I255 PolarHBondContact O-N 2.83Å; K252-R256 VanDerWaalsContact O-CG 3.3Å; K252-R256 WeakPolarHBondContact O-CG 3.34Å; K252-R256 PolarHBondContact O-N 2.87Å; K252-L283 HydrophobicContact CB-CD1 3.66Å; K252-L283 HydrophobicContact CD-CD1 4.13Å; K252-L283 HydrophobicContact CG-CD1 3.44Å; K252-L283 VanDerWaalsContact CG-CD1 3.44Å; K252-L283 HydrophobicContact CG-CG 4.45Å; K252-E287 HydrophobicContact CD-CG 4.26Å; K252-E287 WeakPolarHBondContact CE-OE1 3.3Å; K252-E287 IonicContact NZ-OE1 3.72Å; K252-E287 PolarHBondContact NZ-OE1 2.95Å
253	A	98	Very high	96.9	Very high	56 Å²	56	72.9 Å²	72.9	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-46.9	175.9	0	0	0	0	0	111.7	E249 R250 E251 I255 R256 E257	E249-A253 WeakPolarHBondContact O-CB 3.4Å; E249-A253 PolarHBondContact O-N 2.99Å; R250-A253 PolarHBondContact O-N 3.47Å; E251-A253 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.43Å; A253-I255 PolarHBondContact O-N 2.69Å; A253-R256 PolarHBondContact O-N 3.44Å; A253-E257 PolarHBondContact O-N 2.79Å
254	R	97.7	Very high	96.9	Very high	147 Å²	147	77.7 Å²	77.7	56%	0.555	34%	0.342	S	S	*	.	H	α-helix	trans	-60.2	-43.9	177.2	-171.8	-179.3	74.5	-159.4	8.6	112.5	R250 E251 E258	R250-R254 PolarHBondContact O-N 3.06Å; E251-R254 VanDerWaalsContact CD-CZ 3.48Å; E251-R254 PolarHBondContact O-N 3.42Å; E251-R254 IonicContact OE1-CZ 2.92Å; E251-R254 VanDerWaalsContact OE1-CZ 3.3Å; E251-R254 IonicContact OE1-NE 3.64Å; E251-R254 IonicContact OE1-NH2 2.69Å; E251-R254 PolarHBondContact OE1-NH2 3.1Å; E251-R254 IonicContact OE2-CZ 3.06Å; E251-R254 IonicContact OE2-NE 3.18Å; E251-R254 IonicContact OE2-NH1 2.63Å; E251-R254 PolarHBondContact OE2-NH1 2.92Å; E251-R254 IonicContact OE2-NH2 3.3Å; E251-R254 PolarHBondContact OE2-NH2 2.7Å; R254-E258 WeakPolarHBondContact O-CB 3.47Å; R254-E258 PolarHBondContact O-N 2.94Å
255	I	97.5	Very high	96.8	Very high	0 Å²	0	84.7 Å²	84.7	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-63	-45.4	177	-71.7	166.8	0	0	0	110.5	E251 K252 A253 E258 Y259 M279 K282 Q286	E251-I255 HydrophobicContact CG-CD1 3.96Å; E251-I255 WeakPolarHBondContact O-CG1 3.33Å; E251-I255 PolarHBondContact O-N 2.93Å; K252-I255 PolarHBondContact O-N 2.83Å; A253-I255 PolarHBondContact O-N 2.69Å; I255-E258 PolarHBondContact O-N 3.35Å; I255-Y259 HydrophobicContact CG2-CD2 3.94Å; I255-Y259 HydrophobicContact CG2-CE2 4.12Å; I255-Y259 VanDerWaalsContact O-CD2 3.26Å; I255-Y259 WeakPolarHBondContact O-CD2 3.28Å; I255-Y259 PolarHBondContact O-N 3.1Å; I255-M279 HydrophobicContact CG2-CG 4.15Å; I255-K282 HydrophobicContact CD1-CD 4.15Å; I255-K282 HydrophobicContact CD1-CG 4.06Å; I255-K282 HydrophobicContact CG1-CD 4.13Å; I255-K282 HydrophobicContact CG2-CB 4.47Å; I255-K282 HydrophobicContact CG2-CD 4.03Å; I255-K282 HydrophobicContact CG2-CG 4.42Å; I255-Q286 HydrophobicContact CD1-CG 3.55Å
256	R	97.3	Very high	96.7	Very high	109 Å²	109	80.1 Å²	80.1	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-49.8	178.5	-74.6	174.5	-176	-178.7	0.5	111.3	K252 A253 E258 Y259 E260 M279	K252-R256 VanDerWaalsContact O-CG 3.3Å; K252-R256 WeakPolarHBondContact O-CG 3.34Å; K252-R256 PolarHBondContact O-N 2.87Å; A253-R256 PolarHBondContact O-N 3.44Å; R256-E258 PolarHBondContact O-N 2.87Å; R256-Y259 PolarHBondContact O-N 3.06Å; R256-E260 VanDerWaalsContact O-CB 3.27Å; R256-E260 WeakPolarHBondContact O-CB 3.4Å; R256-E260 WeakPolarHBondContact O-CG 3.29Å; R256-E260 PolarHBondContact O-N 2.89Å; R256-M279 HydrophobicContact CG-SD 4.31Å
257	E	97.6	Very high	96.5	Very high	136 Å²	136	86.8 Å²	86.8	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-58.4	-47.1	178.7	-174.8	177.5	-164.6	0	0	112.2	A253 Y259 E260 E261	A253-E257 PolarHBondContact O-N 2.79Å; E257-Y259 VanDerWaalsContact C-N 3.34Å; E257-Y259 PolarHBondContact O-N 3.27Å; E257-E260 PolarHBondContact O-N 3.11Å; E257-E261 WeakPolarHBondContact O-CB 3.47Å; E257-E261 PolarHBondContact O-N 2.92Å
258	E	97.1	Very high	96.4	Very high	65 Å²	65	88.1 Å²	88.1	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-57.6	-44.8	178	-172.9	-161.7	162.4	0	0	111.9	R254 I255 R256 K262 K282	R254-E258 WeakPolarHBondContact O-CB 3.47Å; R254-E258 PolarHBondContact O-N 2.94Å; I255-E258 PolarHBondContact O-N 3.35Å; R256-E258 PolarHBondContact O-N 2.87Å; E258-K262 HydrophobicContact CG-CD 4.5Å; E258-K262 VanDerWaalsContact O-CG 3.27Å; E258-K262 WeakPolarHBondContact O-CG 3.42Å; E258-K262 PolarHBondContact O-N 3.02Å; E258-K262 IonicContact OE1-NZ 2.62Å; E258-K262 PolarHBondContact OE1-NZ 3.12Å; E258-K282 IonicContact OE2-NZ 2.9Å; E258-K282 PolarHBondContact OE2-NZ 3.36Å
259	Y	97.2	Very high	96.3	Very high	25 Å²	25	94.9 Å²	94.9	10%	0.098	42%	0.424	C	S	.	.	H	α-helix	trans	-78.3	-36.5	-178.5	-85.1	-97.7	0	0	0	112.6	I255 R256 E257 E261 K262 I263 R275 Q278 M279 K282	I255-Y259 HydrophobicContact CG2-CD2 3.94Å; I255-Y259 HydrophobicContact CG2-CE2 4.12Å; I255-Y259 VanDerWaalsContact O-CD2 3.26Å; I255-Y259 WeakPolarHBondContact O-CD2 3.28Å; I255-Y259 PolarHBondContact O-N 3.1Å; R256-Y259 PolarHBondContact O-N 3.06Å; E257-Y259 VanDerWaalsContact C-N 3.34Å; E257-Y259 PolarHBondContact O-N 3.27Å; Y259-E261 VanDerWaalsContact C-N 3.34Å; Y259-K262 PolarHBondContact O-N 3.48Å; Y259-I263 WeakPolarHBondContact O-CB 3.35Å; Y259-I263 WeakPolarHBondContact O-CD1 3.35Å; Y259-I263 WeakPolarHBondContact O-CG1 3.36Å; Y259-I263 PolarHBondContact O-N 3.27Å; Y259-R275 WeakPolarHBondContact CD1-O 3.44Å; Y259-Q278 HydrophobicContact CE1-CB 3.75Å; Y259-M279 VanDerWaalsContact CB-SD 3.53Å; Y259-M279 HydrophobicContact CD1-CB 3.51Å; Y259-M279 HydrophobicContact CD1-CG 4.2Å; Y259-M279 HydrophobicContact CD2-CB 4.16Å; Y259-M279 HydrophobicContact CD2-CG 4.03Å; Y259-M279 HydrophobicContact CE1-CB 4.04Å; Y259-M279 HydrophobicContact CG-CB 3.55Å; Y259-M279 HydrophobicContact CG-CG 3.68Å; Y259-M279 HydrophobicContact CG-SD 4.3Å; Y259-K282 HydrophobicContact CE2-CD 3.6Å
260	E	95.8	Very high	96.2	Very high	114 Å²	114	94.4 Å²	94.4	53%	0.533	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-42.6	173.9	-76.4	171.4	-170.4	0	0	111	R256 E257 I263 R264	R256-E260 VanDerWaalsContact O-CB 3.27Å; R256-E260 WeakPolarHBondContact O-CB 3.4Å; R256-E260 WeakPolarHBondContact O-CG 3.29Å; R256-E260 PolarHBondContact O-N 2.89Å; E257-E260 PolarHBondContact O-N 3.11Å; E260-I263 PolarHBondContact O-N 2.93Å; E260-R264 VanDerWaalsContact O-CB 3.3Å; E260-R264 WeakPolarHBondContact O-CB 3.43Å; E260-R264 PolarHBondContact O-N 3.24Å
261	E	96.6	Very high	96.1	Very high	82 Å²	82	87.9 Å²	87.9	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-43.4	173.6	178	173.7	-171.7	0	0	112	E257 Y259 R264 K265	E257-E261 WeakPolarHBondContact O-CB 3.47Å; E257-E261 PolarHBondContact O-N 2.92Å; Y259-E261 VanDerWaalsContact C-N 3.34Å; E261-R264 PolarHBondContact O-N 2.85Å; E261-K265 WeakPolarHBondContact O-CG 3.44Å; E261-K265 PolarHBondContact O-N 2.98Å; E261-K265 VanDerWaalsContact OE1-CE 3.31Å; E261-K265 WeakPolarHBondContact OE1-CE 3.42Å; E261-K265 IonicContact OE1-NZ 2.7Å; E261-K265 PolarHBondContact OE1-NZ 3.09Å
262	K	94.8	Very high	96.1	Very high	85 Å²	85	89.7 Å²	89.7	37%	0.37	41%	0.413	S	S	.	.	H	α-helix	trans	-63.1	-43.4	176.8	-75.3	170	178.2	176.6	0	111.8	E258 Y259 K265 L266	E258-K262 HydrophobicContact CG-CD 4.5Å; E258-K262 VanDerWaalsContact O-CG 3.27Å; E258-K262 WeakPolarHBondContact O-CG 3.42Å; E258-K262 PolarHBondContact O-N 3.02Å; E258-K262 IonicContact OE1-NZ 2.62Å; E258-K262 PolarHBondContact OE1-NZ 3.12Å; Y259-K262 PolarHBondContact O-N 3.48Å; K262-K265 PolarHBondContact O-N 3.29Å; K262-L266 WeakPolarHBondContact O-CG 3.45Å
263	I	96.1	Very high	96	Very high	35 Å²	35	94.5 Å²	94.5	18%	0.179	44%	0.436	C	S	.	.	H	α-helix	trans	-63.9	-42.1	177.7	-71.4	164.8	0	0	0	110.6	Y259 E260 K265 L266 Q272 R275 K276	Y259-I263 WeakPolarHBondContact O-CB 3.35Å; Y259-I263 WeakPolarHBondContact O-CD1 3.35Å; Y259-I263 WeakPolarHBondContact O-CG1 3.36Å; Y259-I263 PolarHBondContact O-N 3.27Å; E260-I263 PolarHBondContact O-N 2.93Å; I263-K265 PolarHBondContact O-N 3Å; I263-L266 PolarHBondContact O-N 3.34Å; I263-L266 VanDerWaalsContact O-N 3.11Å; I263-Q272 HydrophobicContact CG2-CB 4.13Å; I263-Q272 HydrophobicContact CG2-CG 4Å; I263-R275 HydrophobicContact CD1-CB 4.19Å; I263-R275 HydrophobicContact CG1-CB 3.65Å; I263-K276 HydrophobicContact CD1-CB 4.23Å
264	R	95.1	Very high	95.9	Very high	184 Å²	184	97.1 Å²	97.1	69%	0.694	44%	0.437	S	S	*	.	H	α-helix	trans	-60	-29.3	178.3	-174	177.7	67.6	-134.7	2.1	113.4	E260 E261	E260-R264 VanDerWaalsContact O-CB 3.3Å; E260-R264 WeakPolarHBondContact O-CB 3.43Å; E260-R264 PolarHBondContact O-N 3.24Å; E261-R264 PolarHBondContact O-N 2.85Å
265	K	94.6	Very high	95.8	Very high	147 Å²	147	94 Å²	94	64%	0.639	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.9	179.5	-68.3	175.6	-173.2	171.8	0	113.9	E261 K262 I263	E261-K265 WeakPolarHBondContact O-CG 3.44Å; E261-K265 PolarHBondContact O-N 2.98Å; E261-K265 VanDerWaalsContact OE1-CE 3.31Å; E261-K265 WeakPolarHBondContact OE1-CE 3.42Å; E261-K265 IonicContact OE1-NZ 2.7Å; E261-K265 PolarHBondContact OE1-NZ 3.09Å; K262-K265 PolarHBondContact O-N 3.29Å; I263-K265 PolarHBondContact O-N 3Å
266	L	94.4	Very high	95.8	Very high	48 Å²	48	99.4 Å²	99.4	25%	0.251	45%	0.448	S	S	.	.			trans	-98.4	133.3	-178.2	-69.4	166.9	0	0	0	110.8	K262 I263 E271 Q272 R275	K262-L266 WeakPolarHBondContact O-CG 3.45Å; I263-L266 PolarHBondContact O-N 3.34Å; I263-L266 VanDerWaalsContact O-N 3.11Å; L266-E271 HydrophobicContact CD1-CB 4.31Å; L266-E271 HydrophobicContact CD1-CG 3.69Å; L266-E271 HydrophobicContact CD2-CB 4.43Å; L266-E271 HydrophobicContact CD2-CG 3.73Å; L266-E271 HydrophobicContact CG-CG 4.3Å; L266-Q272 HydrophobicContact CB-CG 3.86Å; L266-Q272 PolarHBondContact O-NE2 2.91Å; L266-R275 HydrophobicContact CD1-CG 3.64Å
267	E	93.2	Very high	95.8	Very high	192 Å²	192	101 Å²	101	90%	0.897	46%	0.458	S	S	*	.			trans	-86.9	-36.2	173.6	-63.9	-179.5	161.6	0	0	112	K269	E267-K269 PolarHBondContact O-N 2.93Å
268	D	95.3	Very high	95.7	Very high	86 Å²	86	98.5 Å²	98.5	46%	0.46	45%	0.447	S	S	.	.			trans	-74.3	118.4	-178.2	175.2	31.2	0	0	0	111.6	V270 E271 Q272	D268-V270 VanDerWaalsContact C-N 3.26Å; D268-V270 PolarHBondContact O-N 2.89Å; D268-V270 PolarHBondContact OD1-N 3.3Å; D268-E271 HydrophobicContact CB-CB 4.18Å; D268-E271 PolarHBondContact O-N 2.89Å; D268-E271 PolarHBondContact OD2-N 3.08Å; D268-Q272 WeakPolarHBondContact O-CG 3.24Å; D268-Q272 PolarHBondContact O-N 2.9Å
269	K	94.7	Very high	95.8	Very high	159 Å²	159	96.7 Å²	96.7	69%	0.691	44%	0.439	S	S	*	.	H	α-helix	trans	-61.4	-33.8	177.5	-70	-174.1	178	-178.7	0	112.5	E267 Q272 E273	E267-K269 PolarHBondContact O-N 2.93Å; K269-Q272 PolarHBondContact O-N 3.03Å; K269-E273 WeakPolarHBondContact O-CG 3.38Å; K269-E273 PolarHBondContact O-N 3.21Å
270	V	96.1	Very high	95.8	Very high	84 Å²	84	100.2 Å²	100.2	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-66.1	-42.4	179.1	177.8	0	0	0	0	110.1	D268 E273 K274	D268-V270 VanDerWaalsContact C-N 3.26Å; D268-V270 PolarHBondContact O-N 2.89Å; D268-V270 PolarHBondContact OD1-N 3.3Å; V270-E273 PolarHBondContact O-N 3.3Å; V270-K274 WeakPolarHBondContact O-CG 3.4Å; V270-K274 PolarHBondContact O-N 2.96Å; V270-K274 VanDerWaalsContact O-N 3.07Å
271	E	95.1	Very high	95.9	Very high	45 Å²	45	101.2 Å²	101.2	21%	0.21	46%	0.459	C	S	.	.	H	α-helix	trans	-68	-38.7	174.3	-169.7	56.5	-156.3	0	0	112.3	L266 D268 E273 K274 R275	L266-E271 HydrophobicContact CD1-CB 4.31Å; L266-E271 HydrophobicContact CD1-CG 3.69Å; L266-E271 HydrophobicContact CD2-CB 4.43Å; L266-E271 HydrophobicContact CD2-CG 3.73Å; L266-E271 HydrophobicContact CG-CG 4.3Å; D268-E271 HydrophobicContact CB-CB 4.18Å; D268-E271 PolarHBondContact O-N 2.89Å; D268-E271 PolarHBondContact OD2-N 3.08Å; E271-E273 PolarHBondContact O-N 3.16Å; E271-K274 PolarHBondContact O-N 3.18Å; E271-K274 WeakPolarHBondContact OE2-CD 3.38Å; E271-R275 WeakPolarHBondContact O-CG 3.48Å; E271-R275 PolarHBondContact O-N 3.36Å; E271-R275 IonicContact OE1-CZ 3.49Å; E271-R275 IonicContact OE1-NE 2.74Å; E271-R275 PolarHBondContact OE1-NE 3.15Å; E271-R275 IonicContact OE1-NH2 3.31Å; E271-R275 PolarHBondContact OE1-NH2 2.97Å
272	Q	95.8	Very high	95.9	Very high	64 Å²	64	99.9 Å²	99.9	30%	0.299	45%	0.451	S	S	.	.	H	α-helix	trans	-56.9	-46.4	172.7	-70.4	-179.8	-4.3	0	0	112	I263 L266 D268 K269 R275 K276	I263-Q272 HydrophobicContact CG2-CB 4.13Å; I263-Q272 HydrophobicContact CG2-CG 4Å; L266-Q272 HydrophobicContact CB-CG 3.86Å; L266-Q272 PolarHBondContact O-NE2 2.91Å; D268-Q272 WeakPolarHBondContact O-CG 3.24Å; D268-Q272 PolarHBondContact O-N 2.9Å; K269-Q272 PolarHBondContact O-N 3.03Å; Q272-R275 PolarHBondContact O-N 3.24Å; Q272-K276 PolarHBondContact O-N 3.35Å
273	E	95.7	Very high	96	Very high	121 Å²	121	97 Å²	97	57%	0.565	44%	0.44	S	S	*	.	H	α-helix	trans	-64	-40.8	177.3	-75.3	-174.8	179.6	0	0	112.6	K269 V270 E271 R275 K276 K277	K269-E273 WeakPolarHBondContact O-CG 3.38Å; K269-E273 PolarHBondContact O-N 3.21Å; V270-E273 PolarHBondContact O-N 3.3Å; E271-E273 PolarHBondContact O-N 3.16Å; E273-R275 VanDerWaalsContact C-N 3.33Å; E273-R275 PolarHBondContact O-N 2.72Å; E273-K276 PolarHBondContact O-N 3.08Å; E273-K277 WeakPolarHBondContact O-CG 3.43Å; E273-K277 PolarHBondContact O-N 3.49Å
274	K	96.4	Very high	96.1	Very high	112 Å²	112	97.9 Å²	97.9	49%	0.487	45%	0.453	S	S	.	.	H	α-helix	trans	-59.4	-44.3	173.9	-78.4	175.4	-179.4	170.1	0	111.3	V270 E271 K277 Q278	V270-K274 WeakPolarHBondContact O-CG 3.4Å; V270-K274 PolarHBondContact O-N 2.96Å; V270-K274 VanDerWaalsContact O-N 3.07Å; E271-K274 PolarHBondContact O-N 3.18Å; E271-K274 WeakPolarHBondContact OE2-CD 3.38Å; K274-K277 PolarHBondContact O-N 3Å; K274-Q278 WeakPolarHBondContact O-CG 3.39Å; K274-Q278 PolarHBondContact O-N 3.5Å
275	R	95.9	Very high	96.2	Very high	82 Å²	82	94.2 Å²	94.2	31%	0.309	44%	0.443	S	S	.	.	H	α-helix	trans	-65.6	-39.3	177.2	-66.5	-56.7	174.1	162.9	6.3	112.4	Y259 I263 L266 E271 Q272 E273 Q278 M279	Y259-R275 WeakPolarHBondContact CD1-O 3.44Å; I263-R275 HydrophobicContact CD1-CB 4.19Å; I263-R275 HydrophobicContact CG1-CB 3.65Å; L266-R275 HydrophobicContact CD1-CG 3.64Å; E271-R275 WeakPolarHBondContact O-CG 3.48Å; E271-R275 PolarHBondContact O-N 3.36Å; E271-R275 IonicContact OE1-CZ 3.49Å; E271-R275 IonicContact OE1-NE 2.74Å; E271-R275 PolarHBondContact OE1-NE 3.15Å; E271-R275 IonicContact OE1-NH2 3.31Å; E271-R275 PolarHBondContact OE1-NH2 2.97Å; Q272-R275 PolarHBondContact O-N 3.24Å; E273-R275 VanDerWaalsContact C-N 3.33Å; E273-R275 PolarHBondContact O-N 2.72Å; R275-Q278 WeakPolarHBondContact O-CB 3.42Å; R275-Q278 PolarHBondContact O-N 3.48Å; R275-M279 PolarHBondContact O-N 3.33Å
276	K	96.6	Very high	96.3	Very high	113 Å²	113	89.4 Å²	89.4	49%	0.491	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-46.6	173.9	-172.8	-178.9	175.8	-175.6	0	111.7	I263 Q272 E273 Q278 M279 E280	I263-K276 HydrophobicContact CD1-CB 4.23Å; Q272-K276 PolarHBondContact O-N 3.35Å; E273-K276 PolarHBondContact O-N 3.08Å; K276-Q278 VanDerWaalsContact C-N 3.32Å; K276-Q278 PolarHBondContact O-N 2.85Å; K276-M279 HydrophobicContact CG-CE 4.44Å; K276-M279 WeakPolarHBondContact O-CB 3.26Å; K276-M279 PolarHBondContact O-N 2.86Å; K276-M279 VanDerWaalsContact O-N 3.16Å; K276-E280 WeakPolarHBondContact CE-OE1 3.44Å; K276-E280 WeakPolarHBondContact O-CG 3.28Å; K276-E280 PolarHBondContact O-N 2.79Å
277	K	97.2	Very high	96.4	Very high	142 Å²	142	90.8 Å²	90.8	62%	0.617	43%	0.428	S	S	*	.	H	α-helix	trans	-61.3	-38.5	175	-72.6	177.8	178.6	173.3	0	112.5	E273 K274 K281	E273-K277 WeakPolarHBondContact O-CG 3.43Å; E273-K277 PolarHBondContact O-N 3.49Å; K274-K277 PolarHBondContact O-N 3Å; K277-K281 WeakPolarHBondContact O-CB 3.42Å; K277-K281 PolarHBondContact O-N 3.36Å
278	Q	96.9	Very high	96.6	Very high	84 Å²	84	84.4 Å²	84.4	39%	0.393	41%	0.408	S	S	.	.	H	α-helix	trans	-64.5	-41	174	-74.5	175.7	1.8	0	0	112.1	Y259 K274 R275 K276 K281 K282	Y259-Q278 HydrophobicContact CE1-CB 3.75Å; K274-Q278 WeakPolarHBondContact O-CG 3.39Å; K274-Q278 PolarHBondContact O-N 3.5Å; R275-Q278 WeakPolarHBondContact O-CB 3.42Å; R275-Q278 PolarHBondContact O-N 3.48Å; K276-Q278 VanDerWaalsContact C-N 3.32Å; K276-Q278 PolarHBondContact O-N 2.85Å; Q278-K281 PolarHBondContact O-N 3.43Å; Q278-K282 WeakPolarHBondContact O-CB 3.15Å; Q278-K282 PolarHBondContact O-N 2.95Å
279	M	97.6	Very high	96.7	Very high	27 Å²	27	85 Å²	85	13%	0.133	41%	0.408	C	S	.	.	H	α-helix	trans	-60.2	-50.1	175.5	-174.2	-175.6	64.9	0	0	111	I255 R256 Y259 R275 K276 K281 K282 L283	I255-M279 HydrophobicContact CG2-CG 4.15Å; R256-M279 HydrophobicContact CG-SD 4.31Å; Y259-M279 VanDerWaalsContact CB-SD 3.53Å; Y259-M279 HydrophobicContact CD1-CB 3.51Å; Y259-M279 HydrophobicContact CD1-CG 4.2Å; Y259-M279 HydrophobicContact CD2-CB 4.16Å; Y259-M279 HydrophobicContact CD2-CG 4.03Å; Y259-M279 HydrophobicContact CE1-CB 4.04Å; Y259-M279 HydrophobicContact CG-CB 3.55Å; Y259-M279 HydrophobicContact CG-CG 3.68Å; Y259-M279 HydrophobicContact CG-SD 4.3Å; R275-M279 PolarHBondContact O-N 3.33Å; K276-M279 HydrophobicContact CG-CE 4.44Å; K276-M279 WeakPolarHBondContact O-CB 3.26Å; K276-M279 PolarHBondContact O-N 2.86Å; K276-M279 VanDerWaalsContact O-N 3.16Å; M279-K281 VanDerWaalsContact C-N 3.32Å; M279-K281 PolarHBondContact O-N 3.07Å; M279-K282 PolarHBondContact O-N 3.11Å; M279-L283 WeakPolarHBondContact O-CB 3.41Å; M279-L283 PolarHBondContact O-N 3.18Å
280	E	97.3	Very high	96.7	Very high	98 Å²	98	78.5 Å²	78.5	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-59.3	-42.6	179	-72.1	170.3	-179.8	0	0	111.4	K276 L283 A284	K276-E280 WeakPolarHBondContact CE-OE1 3.44Å; K276-E280 WeakPolarHBondContact O-CG 3.28Å; K276-E280 PolarHBondContact O-N 2.79Å; E280-L283 WeakPolarHBondContact O-CB 3.32Å; E280-L283 PolarHBondContact O-N 2.94Å; E280-A284 WeakPolarHBondContact O-CB 3.35Å; E280-A284 PolarHBondContact O-N 3.38Å
281	K	97.8	Very high	96.7	Very high	136 Å²	136	76.5 Å²	76.5	59%	0.591	37%	0.372	S	S	*	.	H	α-helix	trans	-60.9	-48	174.1	-176.8	178.7	173.4	-178	0	112	K277 Q278 M279 L283 A284 E285	K277-K281 WeakPolarHBondContact O-CB 3.42Å; K277-K281 PolarHBondContact O-N 3.36Å; Q278-K281 PolarHBondContact O-N 3.43Å; M279-K281 VanDerWaalsContact C-N 3.32Å; M279-K281 PolarHBondContact O-N 3.07Å; K281-L283 VanDerWaalsContact C-N 3.29Å; K281-L283 PolarHBondContact O-N 3.5Å; K281-A284 PolarHBondContact O-N 2.99Å; K281-E285 WeakPolarHBondContact CE-OE1 3.34Å; K281-E285 WeakPolarHBondContact O-CG 3.23Å; K281-E285 PolarHBondContact O-N 2.92Å
282	K	97.1	Very high	96.7	Very high	54 Å²	54	77.4 Å²	77.4	24%	0.235	38%	0.38	C	S	.	.	H	α-helix	trans	-62.4	-38.2	178.7	-166.3	-178	179.5	-177.8	0	111.3	I255 E258 Y259 Q278 M279 E285 Q286	I255-K282 HydrophobicContact CD1-CD 4.15Å; I255-K282 HydrophobicContact CD1-CG 4.06Å; I255-K282 HydrophobicContact CG1-CD 4.13Å; I255-K282 HydrophobicContact CG2-CB 4.47Å; I255-K282 HydrophobicContact CG2-CD 4.03Å; I255-K282 HydrophobicContact CG2-CG 4.42Å; E258-K282 IonicContact OE2-NZ 2.9Å; E258-K282 PolarHBondContact OE2-NZ 3.36Å; Y259-K282 HydrophobicContact CE2-CD 3.6Å; Q278-K282 WeakPolarHBondContact O-CB 3.15Å; Q278-K282 PolarHBondContact O-N 2.95Å; M279-K282 PolarHBondContact O-N 3.11Å; K282-E285 PolarHBondContact O-N 3.43Å; K282-Q286 WeakPolarHBondContact O-CG 3.34Å; K282-Q286 PolarHBondContact O-N 2.95Å; K282-Q286 VanDerWaalsContact O-N 3.08Å
283	L	97.8	Very high	96.6	Very high	24 Å²	24	77.6 Å²	77.6	13%	0.126	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-48.5	175.8	-165.5	74.5	0	0	0	111.3	K252 M279 E280 K281 E285 Q286 E287	K252-L283 HydrophobicContact CB-CD1 3.66Å; K252-L283 HydrophobicContact CD-CD1 4.13Å; K252-L283 HydrophobicContact CG-CD1 3.44Å; K252-L283 VanDerWaalsContact CG-CD1 3.44Å; K252-L283 HydrophobicContact CG-CG 4.45Å; M279-L283 WeakPolarHBondContact O-CB 3.41Å; M279-L283 PolarHBondContact O-N 3.18Å; E280-L283 WeakPolarHBondContact O-CB 3.32Å; E280-L283 PolarHBondContact O-N 2.94Å; K281-L283 VanDerWaalsContact C-N 3.29Å; K281-L283 PolarHBondContact O-N 3.5Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-E285 PolarHBondContact O-N 2.86Å; L283-Q286 PolarHBondContact O-N 2.91Å; L283-E287 WeakPolarHBondContact O-CG 3.25Å; L283-E287 PolarHBondContact O-N 3.34Å
284	A	97.7	Very high	96.5	Very high	54 Å²	54	74.6 Å²	74.6	45%	0.446	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-37.9	177.8	0	0	0	0	0	112.4	E280 K281 E287 A288	E280-A284 WeakPolarHBondContact O-CB 3.35Å; E280-A284 PolarHBondContact O-N 3.38Å; K281-A284 PolarHBondContact O-N 2.99Å; A284-E287 PolarHBondContact O-N 3.44Å; A284-A288 WeakPolarHBondContact O-CB 3.48Å; A284-A288 PolarHBondContact O-N 2.76Å
285	E	97.2	Very high	96.2	Very high	106 Å²	106	74.7 Å²	74.7	50%	0.495	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-42.6	173.9	-74.3	170.8	-179	0	0	111.9	K281 K282 L283 A288 H289	K281-E285 WeakPolarHBondContact CE-OE1 3.34Å; K281-E285 WeakPolarHBondContact O-CG 3.23Å; K281-E285 PolarHBondContact O-N 2.92Å; K282-E285 PolarHBondContact O-N 3.43Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-E285 PolarHBondContact O-N 2.86Å; E285-A288 PolarHBondContact O-N 2.88Å; E285-H289 WeakPolarHBondContact O-CB 3.29Å; E285-H289 PolarHBondContact O-N 2.83Å
286	Q	96.6	Very high	96.1	Very high	47 Å²	47	78.7 Å²	78.7	22%	0.22	38%	0.382	C	S	.	.	H	α-helix	trans	-65.6	-44.8	175.1	-69.9	-55.9	-45.7	0	0	112	L248 E251 I255 K282 L283 A288 H289 Y290	L248-Q286 HydrophobicContact CD1-CB 4.14Å; E251-Q286 HydrophobicContact CG-CG 4.04Å; I255-Q286 HydrophobicContact CD1-CG 3.55Å; K282-Q286 WeakPolarHBondContact O-CG 3.34Å; K282-Q286 PolarHBondContact O-N 2.95Å; K282-Q286 VanDerWaalsContact O-N 3.08Å; L283-Q286 PolarHBondContact O-N 2.91Å; Q286-A288 VanDerWaalsContact C-N 3.31Å; Q286-A288 PolarHBondContact O-N 3.14Å; Q286-H289 WeakPolarHBondContact O-CB 3.45Å; Q286-H289 PolarHBondContact O-N 3.38Å; Q286-H289 VanDerWaalsContact O-N 3.17Å; Q286-Y290 WeakPolarHBondContact O-CD2 3.24Å; Q286-Y290 PolarHBondContact O-N 2.99Å
287	E	96.8	Very high	96	Very high	77 Å²	77	73.3 Å²	73.3	36%	0.36	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-43.1	177.2	-71.9	179.8	163.3	0	0	111.5	L248 K252 L283 A284 A291	L248-E287 HydrophobicContact CD1-CG 4.26Å; L248-E287 HydrophobicContact CD2-CG 4.41Å; K252-E287 HydrophobicContact CD-CG 4.26Å; K252-E287 WeakPolarHBondContact CE-OE1 3.3Å; K252-E287 IonicContact NZ-OE1 3.72Å; K252-E287 PolarHBondContact NZ-OE1 2.95Å; L283-E287 WeakPolarHBondContact O-CG 3.25Å; L283-E287 PolarHBondContact O-N 3.34Å; A284-E287 PolarHBondContact O-N 3.44Å; E287-A291 VanDerWaalsContact O-CB 3.25Å; E287-A291 WeakPolarHBondContact O-CB 3.3Å; E287-A291 PolarHBondContact O-N 3.1Å
288	A	97.3	Very high	95.8	Very high	58 Å²	58	67.3 Å²	67.3	48%	0.479	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-42.6	174.7	0	0	0	0	0	112.2	A284 E285 Q286 A291 V292	A284-A288 WeakPolarHBondContact O-CB 3.48Å; A284-A288 PolarHBondContact O-N 2.76Å; E285-A288 PolarHBondContact O-N 2.88Å; Q286-A288 VanDerWaalsContact C-N 3.31Å; Q286-A288 PolarHBondContact O-N 3.14Å; A288-A291 PolarHBondContact O-N 2.79Å; A288-V292 WeakPolarHBondContact O-CG2 3.45Å; A288-V292 PolarHBondContact O-N 2.89Å
289	H	96.5	Very high	95.4	Very high	98 Å²	98	67.3 Å²	67.3	45%	0.454	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-49.4	177.3	176.7	70.2	0	0	0	112.3	E285 Q286 V292 R293	E285-H289 WeakPolarHBondContact O-CB 3.29Å; E285-H289 PolarHBondContact O-N 2.83Å; Q286-H289 WeakPolarHBondContact O-CB 3.45Å; Q286-H289 PolarHBondContact O-N 3.38Å; Q286-H289 VanDerWaalsContact O-N 3.17Å; H289-V292 PolarHBondContact O-N 3.19Å; H289-R293 WeakPolarHBondContact NE2-CD 3.4Å; H289-R293 PolarHBondContact O-N 3.25Å; H289-R293 VanDerWaalsContact O-N 3.1Å
290	Y	96.3	Very high	95.1	Very high	22 Å²	22	68 Å²	68	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-71	-30.2	179.8	-83.7	-87.9	0	0	0	112.8	H244 E247 L248 Q286 V292 R293 Q294	H244-Y290 HydrophobicContact CB-CD1 4.15Å; H244-Y290 WeakPolarHBondContact O-CD1 3.35Å; H244-Y290 WeakPolarHBondContact O-CE1 3.22Å; E247-Y290 HydrophobicContact CB-CE1 3.54Å; L248-Y290 HydrophobicContact CB-CD1 3.89Å; L248-Y290 HydrophobicContact CB-CD2 3.97Å; L248-Y290 HydrophobicContact CB-CE1 4.31Å; L248-Y290 HydrophobicContact CB-CE2 4.37Å; L248-Y290 HydrophobicContact CB-CG 3.69Å; L248-Y290 HydrophobicContact CD1-CD2 3.57Å; L248-Y290 HydrophobicContact CD1-CE2 4.24Å; L248-Y290 HydrophobicContact CD1-CG 3.95Å; L248-Y290 HydrophobicContact CG-CD2 4.3Å; L248-Y290 HydrophobicContact CG-CG 4.23Å; Q286-Y290 WeakPolarHBondContact O-CD2 3.24Å; Q286-Y290 PolarHBondContact O-N 2.99Å; Y290-V292 VanDerWaalsContact C-N 3.3Å; Y290-V292 PolarHBondContact O-N 3.06Å; Y290-R293 VanDerWaalsContact CE1-NH1 3.28Å; Y290-R293 PolarHBondContact O-N 3.29Å; Y290-Q294 WeakPolarHBondContact O-CB 3.5Å; Y290-Q294 WeakPolarHBondContact O-CG 3.31Å; Y290-Q294 PolarHBondContact O-N 3.12Å
291	A	95.3	Very high	94.8	Very high	43 Å²	43	63.3 Å²	63.3	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-59.8	-41.3	170.9	0	0	0	0	0	111.7	E287 A288 Q295	E287-A291 VanDerWaalsContact O-CB 3.25Å; E287-A291 WeakPolarHBondContact O-CB 3.3Å; E287-A291 PolarHBondContact O-N 3.1Å; A288-A291 PolarHBondContact O-N 2.79Å; A291-Q295 PolarHBondContact O-N 3.35Å; A291-Q295 VanDerWaalsContact O-N 3.07Å
292	V	94.7	Very high	94.3	Very high	64 Å²	64	58 Å²	58	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-41.6	174.3	175.9	0	0	0	0	111.3	A288 H289 Y290 Q295 R296	A288-V292 WeakPolarHBondContact O-CG2 3.45Å; A288-V292 PolarHBondContact O-N 2.89Å; H289-V292 PolarHBondContact O-N 3.19Å; Y290-V292 VanDerWaalsContact C-N 3.3Å; Y290-V292 PolarHBondContact O-N 3.06Å; V292-Q295 PolarHBondContact O-N 3.48Å; V292-R296 HydrophobicContact CG1-CG 4.5Å; V292-R296 WeakPolarHBondContact O-CB 3.39Å; V292-R296 WeakPolarHBondContact O-CG 3.46Å; V292-R296 PolarHBondContact O-N 2.9Å
293	R	93.9	Very high	93.7	Very high	67 Å²	67	59.3 Å²	59.3	25%	0.253	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176.1	-70.7	-175.9	71.5	-163.2	1.5	112	H244 E247 H289 Y290 Q295 R296 A297	H244-R293 VanDerWaalsContact CE1-CZ 3.45Å; H244-R293 PolarHBondContact CE1-NH2 3.17Å; H244-R293 VanDerWaalsContact ND1-CZ 3.32Å; H244-R293 PolarHBondContact ND1-NH2 3.4Å; H244-R293 VanDerWaalsContact ND1-NH2 3.19Å; E247-R293 IonicContact OE2-CZ 3.94Å; E247-R293 IonicContact OE2-NH1 2.9Å; E247-R293 PolarHBondContact OE2-NH1 3.28Å; E247-R293 IonicContact OE2-NH2 2.9Å; E247-R293 PolarHBondContact OE2-NH2 3.34Å; H289-R293 WeakPolarHBondContact NE2-CD 3.4Å; H289-R293 PolarHBondContact O-N 3.25Å; H289-R293 VanDerWaalsContact O-N 3.1Å; Y290-R293 VanDerWaalsContact CE1-NH1 3.28Å; Y290-R293 PolarHBondContact O-N 3.29Å; R293-Q295 VanDerWaalsContact C-N 3.34Å; R293-Q295 PolarHBondContact O-N 3.1Å; R293-R296 CarbonylContact O-C 3.43Å; R293-R296 PolarHBondContact O-N 3.47Å; R293-R296 VanDerWaalsContact O-N 3.14Å; R293-A297 PolarHBondContact O-N 3.06Å
294	Q	93.1	Very high	93.1	Very high	58 Å²	58	62.1 Å²	62.1	27%	0.271	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-39.6	176.5	-74.8	179.3	-3.6	0	0	112.4	Q241 H244 Y290 R296 A297	Q241-Q294 PolarHBondContact NE2-O 3.49Å; Q241-Q294 VanDerWaalsContact NE2-O 3.15Å; H244-Q294 HydrophobicContact CB-CG 3.86Å; Y290-Q294 WeakPolarHBondContact O-CB 3.5Å; Y290-Q294 WeakPolarHBondContact O-CG 3.31Å; Y290-Q294 PolarHBondContact O-N 3.12Å; Q294-R296 VanDerWaalsContact C-N 3.3Å; Q294-R296 PolarHBondContact O-N 2.96Å; Q294-A297 VanDerWaalsContact O-CB 3.3Å; Q294-A297 WeakPolarHBondContact O-CB 3.49Å; Q294-A297 PolarHBondContact O-N 2.98Å
295	Q	91.9	Very high	92.5	Very high	115 Å²	115	64.9 Å²	64.9	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-67.2	-31.9	175.2	-169.4	178.8	11.3	0	0	112.3	P26 A291 V292 R293	P26-Q295 HydrophobicContact CG-CG 4.27Å; A291-Q295 PolarHBondContact O-N 3.35Å; A291-Q295 VanDerWaalsContact O-N 3.07Å; V292-Q295 PolarHBondContact O-N 3.48Å; R293-Q295 VanDerWaalsContact C-N 3.34Å; R293-Q295 PolarHBondContact O-N 3.1Å
296	R	92.5	Very high	91.9	Very high	166 Å²	166	62.8 Å²	62.8	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-91	1.9	178.3	-68.1	-178.2	-179.4	-174.3	0.8	114.2	V292 R293 Q294 R298 T299 E300	V292-R296 HydrophobicContact CG1-CG 4.5Å; V292-R296 WeakPolarHBondContact O-CB 3.39Å; V292-R296 WeakPolarHBondContact O-CG 3.46Å; V292-R296 PolarHBondContact O-N 2.9Å; R293-R296 CarbonylContact O-C 3.43Å; R293-R296 PolarHBondContact O-N 3.47Å; R293-R296 VanDerWaalsContact O-N 3.14Å; Q294-R296 VanDerWaalsContact C-N 3.3Å; Q294-R296 PolarHBondContact O-N 2.96Å; R296-R298 PolarHBondContact O-N 2.82Å; R296-R298 VanDerWaalsContact O-N 3.14Å; R296-T299 WeakPolarHBondContact O-CB 3.39Å; R296-T299 PolarHBondContact O-N 3.37Å; R296-E300 PolarHBondContact O-N 3.32Å
297	A	93.8	Very high	91.4	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-54.8	-37.9	-174.7	0	0	0	0	0	112.6	T237 M240 Q241 R293 Q294 E300 V301	T237-A297 HydrophobicContact CG2-CB 4.15Å; M240-A297 HydrophobicContact CB-CB 4.2Å; M240-A297 HydrophobicContact CG-CB 4.06Å; Q241-A297 HydrophobicContact CG-CB 3.49Å; Q241-A297 VanDerWaalsContact CG-CB 3.49Å; R293-A297 PolarHBondContact O-N 3.06Å; Q294-A297 VanDerWaalsContact O-CB 3.3Å; Q294-A297 WeakPolarHBondContact O-CB 3.49Å; Q294-A297 PolarHBondContact O-N 2.98Å; A297-E300 WeakPolarHBondContact O-CB 3.14Å; A297-E300 PolarHBondContact O-N 3.27Å; A297-V301 WeakPolarHBondContact O-CG2 3.49Å; A297-V301 PolarHBondContact O-N 3.32Å
298	R	92.8	Very high	90.8	Very high	15 Å²	15	59.1 Å²	59.1	6%	0.057	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-46.7	174.9	-175.5	179.8	175.5	103.9	-4.2	112.4	R27 S111 E230 I233 T237 R296 E300 V301 E302	R27-R298 VanDerWaalsContact CZ-NE 3.29Å; R27-R298 VanDerWaalsContact CZ-NH1 3.32Å; R27-R298 VanDerWaalsContact NE-CD 3.3Å; R27-R298 VanDerWaalsContact NH1-NE 3.13Å; R27-R298 VanDerWaalsContact NH1-NH2 3.12Å; S111-R298 PolarHBondContact O-NH2 2.81Å; E230-R298 VanDerWaalsContact CD-NH1 3.26Å; E230-R298 IonicContact OE1-CZ 3.29Å; E230-R298 IonicContact OE1-NH1 2.88Å; E230-R298 PolarHBondContact OE1-NH1 3.05Å; E230-R298 IonicContact OE1-NH2 3.29Å; E230-R298 IonicContact OE2-CZ 3.97Å; E230-R298 VanDerWaalsContact OE2-CZ 3.26Å; E230-R298 IonicContact OE2-NH1 3.69Å; E230-R298 PolarHBondContact OE2-NH1 2.81Å; E230-R298 IonicContact OE2-NH2 2.72Å; E230-R298 PolarHBondContact OE2-NH2 3Å; I233-R298 HydrophobicContact CG2-CG 4.11Å; I233-R298 VanDerWaalsContact CG2-CZ 3.42Å; T237-R298 HydrophobicContact CG2-CB 3.9Å; R296-R298 PolarHBondContact O-N 2.82Å; R296-R298 VanDerWaalsContact O-N 3.14Å; R298-E300 PolarHBondContact O-N 3.24Å; R298-V301 WeakPolarHBondContact O-CB 3.27Å; R298-V301 PolarHBondContact O-N 2.78Å; R298-V301 VanDerWaalsContact O-N 3.13Å; R298-E302 HydrophobicContact CG-CG 4.37Å; R298-E302 IonicContact CZ-OE1 2.89Å; R298-E302 IonicContact NE-OE1 3.66Å; R298-E302 PolarHBondContact NE-OE1 2.88Å; R298-E302 IonicContact NH2-OE1 3.51Å; R298-E302 PolarHBondContact NH2-OE1 2.99Å; R298-E302 WeakPolarHBondContact O-CG 3.28Å; R298-E302 PolarHBondContact O-N 3.48Å
299	T	89.3	Confident	90.3	Very high	85 Å²	85	59.9 Å²	59.9	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-32.8	177.5	-52	0	0	0	0	111.1	R296 E302 S303	R296-T299 WeakPolarHBondContact O-CB 3.39Å; R296-T299 PolarHBondContact O-N 3.37Å; T299-E302 PolarHBondContact O-N 3Å; T299-S303 WeakPolarHBondContact O-CB 3.36Å; T299-S303 PolarHBondContact O-N 3.49Å; T299-S303 PolarHBondContact O-OG 2.82Å
300	E	90.8	Very high	89.9	Confident	41 Å²	41	60 Å²	60	19%	0.192	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-43	173.4	-170.6	178.4	166.8	0	0	111.5	M240 H244 R296 A297 R298 S303 K304	M240-E300 HydrophobicContact CE-CG 4.26Å; M240-E300 HydrophobicContact SD-CG 4.47Å; H244-E300 IonicContact CE1-OE1 3.08Å; H244-E300 IonicContact CE1-OE2 3.45Å; H244-E300 PolarHBondContact CE1-OE2 3.08Å; H244-E300 VanDerWaalsContact CE1-OE2 3.29Å; H244-E300 IonicContact NE2-OE2 3.78Å; H244-E300 PolarHBondContact NE2-OE2 3.27Å; R296-E300 PolarHBondContact O-N 3.32Å; A297-E300 WeakPolarHBondContact O-CB 3.14Å; A297-E300 PolarHBondContact O-N 3.27Å; R298-E300 PolarHBondContact O-N 3.24Å; E300-S303 WeakPolarHBondContact CA-OG 3.24Å; E300-S303 PolarHBondContact O-N 2.89Å; E300-S303 PolarHBondContact O-OG 3.19Å; E300-K304 HydrophobicContact CG-CD 4.05Å; E300-K304 WeakPolarHBondContact O-CB 3.44Å; E300-K304 VanDerWaalsContact O-CG 3.31Å; E300-K304 WeakPolarHBondContact O-CG 3.33Å; E300-K304 PolarHBondContact O-N 3.29Å; E300-K304 VanDerWaalsContact OE1-CE 3.3Å; E300-K304 WeakPolarHBondContact OE1-CE 3.35Å; E300-K304 IonicContact OE1-NZ 3.56Å; E300-K304 PolarHBondContact OE1-NZ 3.04Å
301	V	91.3	Very high	89.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-45.3	172.4	163.8	0	0	0	0	111.4	I233 Q236 M240 A297 R298 S303 I307 I311	I233-V301 HydrophobicContact CG2-CG1 4.1Å; Q236-V301 HydrophobicContact CB-CG1 3.85Å; Q236-V301 HydrophobicContact CB-CG2 3.96Å; M240-V301 HydrophobicContact CB-CG2 4.25Å; M240-V301 HydrophobicContact CE-CG2 4.27Å; A297-V301 WeakPolarHBondContact O-CG2 3.49Å; A297-V301 PolarHBondContact O-N 3.32Å; R298-V301 WeakPolarHBondContact O-CB 3.27Å; R298-V301 PolarHBondContact O-N 2.78Å; R298-V301 VanDerWaalsContact O-N 3.13Å; V301-S303 VanDerWaalsContact C-N 3.28Å; V301-S303 PolarHBondContact O-N 3.47Å; V301-I307 HydrophobicContact CG1-CG2 3.89Å; V301-I307 HydrophobicContact CG2-CD1 4.3Å; V301-I311 HydrophobicContact CG1-CD1 4.41Å
302	E	87.4	Confident	89	Confident	25 Å²	25	57.1 Å²	57.1	12%	0.117	30%	0.298	C	S	.	.	H	α-helix	trans	-70.5	-17.4	179	-70.2	179.1	-170.4	0	0	114.2	K71 R298 T299 L308	K71-E302 IonicContact NZ-OE2 2.65Å; K71-E302 PolarHBondContact NZ-OE2 2.81Å; R298-E302 HydrophobicContact CG-CG 4.37Å; R298-E302 IonicContact CZ-OE1 2.89Å; R298-E302 IonicContact NE-OE1 3.66Å; R298-E302 PolarHBondContact NE-OE1 2.88Å; R298-E302 IonicContact NH2-OE1 3.51Å; R298-E302 PolarHBondContact NH2-OE1 2.99Å; R298-E302 WeakPolarHBondContact O-CG 3.28Å; R298-E302 PolarHBondContact O-N 3.48Å; T299-E302 PolarHBondContact O-N 3Å; E302-L308 WeakPolarHBondContact O-CD1 3.25Å
303	S	84.6	Confident	88.6	Confident	81 Å²	81	57.1 Å²	57.1	57%	0.566	30%	0.298	S	S	*	.	H	α-helix	trans	-104.2	-13.4	179.2	54.7	0	0	0	0	114	T299 E300 V301 D305	T299-S303 WeakPolarHBondContact O-CB 3.36Å; T299-S303 PolarHBondContact O-N 3.49Å; T299-S303 PolarHBondContact O-OG 2.82Å; E300-S303 WeakPolarHBondContact CA-OG 3.24Å; E300-S303 PolarHBondContact O-N 2.89Å; E300-S303 PolarHBondContact O-OG 3.19Å; V301-S303 VanDerWaalsContact C-N 3.28Å; V301-S303 PolarHBondContact O-N 3.47Å; S303-D305 PolarHBondContact O-N 3.33Å
304	K	86.4	Confident	88.3	Confident	82 Å²	82	56 Å²	56	36%	0.357	30%	0.303	S	S	.	.			trans	-82.9	100.7	173.8	-79	177.1	169.8	174.9	0	110.2	M240 E300 G306 I307 L308	M240-K304 HydrophobicContact CE-CD 3.92Å; E300-K304 HydrophobicContact CG-CD 4.05Å; E300-K304 WeakPolarHBondContact O-CB 3.44Å; E300-K304 VanDerWaalsContact O-CG 3.31Å; E300-K304 WeakPolarHBondContact O-CG 3.33Å; E300-K304 PolarHBondContact O-N 3.29Å; E300-K304 VanDerWaalsContact OE1-CE 3.3Å; E300-K304 WeakPolarHBondContact OE1-CE 3.35Å; E300-K304 IonicContact OE1-NZ 3.56Å; E300-K304 PolarHBondContact OE1-NZ 3.04Å; K304-G306 PolarHBondContact O-N 3.2Å; K304-G306 VanDerWaalsContact O-N 3.12Å; K304-I307 HydrophobicContact CB-CB 4.2Å; K304-I307 HydrophobicContact CB-CD1 3.88Å; K304-I307 HydrophobicContact CB-CG1 3.93Å; K304-I307 HydrophobicContact CD-CD1 3.66Å; K304-I307 HydrophobicContact CD-CG1 4.41Å; K304-I307 HydrophobicContact CG-CD1 4.39Å; K304-I307 PolarHBondContact O-N 3.16Å; K304-L308 PolarHBondContact O-N 3.25Å
305	D	83.4	Confident	88	Confident	113 Å²	113	53.5 Å²	53.5	60%	0.604	29%	0.291	S	S	*	.	H	α-helix	trans	-49.3	-40.2	178.3	-76.9	-24.9	0	0	0	113.1	S303 I307 L308 E309	S303-D305 PolarHBondContact O-N 3.33Å; D305-I307 VanDerWaalsContact C-N 3.35Å; D305-I307 PolarHBondContact O-N 3.17Å; D305-L308 PolarHBondContact O-N 2.95Å; D305-E309 WeakPolarHBondContact O-CB 3.37Å; D305-E309 WeakPolarHBondContact O-CG 3.28Å; D305-E309 PolarHBondContact O-N 2.98Å
306	G	85.7	Confident	87.5	Confident	61 Å²	61	51.3 Å²	51.3	63%	0.629	28%	0.281	S	S	*	.	H	α-helix	trans	-63.9	-36.1	178	0	0	0	0	0	113.9	K304 L310	K304-G306 PolarHBondContact O-N 3.2Å; K304-G306 VanDerWaalsContact O-N 3.12Å; G306-L310 PolarHBondContact O-N 2.9Å
307	I	85.3	Confident	87	Confident	30 Å²	30	48.1 Å²	48.1	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-72.7	-47.1	175.6	-59.3	178.5	0	0	0	108.9	Q236 M240 V301 K304 D305 E309 L310 I311	Q236-I307 HydrophobicContact CB-CG2 3.98Å; Q236-I307 HydrophobicContact CG-CG2 3.81Å; M240-I307 HydrophobicContact CE-CD1 3.64Å; V301-I307 HydrophobicContact CG1-CG2 3.89Å; V301-I307 HydrophobicContact CG2-CD1 4.3Å; K304-I307 HydrophobicContact CB-CB 4.2Å; K304-I307 HydrophobicContact CB-CD1 3.88Å; K304-I307 HydrophobicContact CB-CG1 3.93Å; K304-I307 HydrophobicContact CD-CD1 3.66Å; K304-I307 HydrophobicContact CD-CG1 4.41Å; K304-I307 HydrophobicContact CG-CD1 4.39Å; K304-I307 PolarHBondContact O-N 3.16Å; D305-I307 VanDerWaalsContact C-N 3.35Å; D305-I307 PolarHBondContact O-N 3.17Å; I307-E309 VanDerWaalsContact C-N 3.34Å; I307-E309 PolarHBondContact O-N 3.04Å; I307-L310 WeakPolarHBondContact O-CB 3.33Å; I307-L310 PolarHBondContact O-N 3.3Å; I307-L310 VanDerWaalsContact O-N 3.1Å; I307-I311 HydrophobicContact CG2-CD1 4.16Å; I307-I311 HydrophobicContact CG2-CG1 4.34Å; I307-I311 WeakPolarHBondContact O-CG1 3.46Å; I307-I311 PolarHBondContact O-N 2.98Å
308	L	84.7	Confident	86.1	Confident	18 Å²	18	49.2 Å²	49.2	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-44.2	177.4	-77.4	-177.8	0	0	0	112.6	L108 E302 K304 D305 L310 I311 M312	L108-L308 HydrophobicContact CB-CD2 4.36Å; L108-L308 HydrophobicContact CD1-CD2 4.35Å; E302-L308 WeakPolarHBondContact O-CD1 3.25Å; K304-L308 PolarHBondContact O-N 3.25Å; D305-L308 PolarHBondContact O-N 2.95Å; L308-L310 VanDerWaalsContact C-N 3.31Å; L308-L310 PolarHBondContact O-N 2.85Å; L308-I311 PolarHBondContact O-N 2.98Å; L308-M312 WeakPolarHBondContact O-CB 3.48Å; L308-M312 VanDerWaalsContact O-CG 3.27Å; L308-M312 WeakPolarHBondContact O-CG 3.07Å; L308-M312 PolarHBondContact O-N 3.14Å
309	E	86.7	Confident	85.2	Confident	74 Å²	74	50.3 Å²	50.3	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-35.3	176.9	-70.5	-75.9	163.7	0	0	112.1	K101 D305 I307 M312 T313	K101-E309 VanDerWaalsContact NZ-CD 3.28Å; K101-E309 IonicContact NZ-OE1 3.42Å; K101-E309 PolarHBondContact NZ-OE1 2.93Å; K101-E309 IonicContact NZ-OE2 2.69Å; K101-E309 PolarHBondContact NZ-OE2 3.26Å; D305-E309 WeakPolarHBondContact O-CB 3.37Å; D305-E309 WeakPolarHBondContact O-CG 3.28Å; D305-E309 PolarHBondContact O-N 2.98Å; I307-E309 VanDerWaalsContact C-N 3.34Å; I307-E309 PolarHBondContact O-N 3.04Å; E309-M312 HydrophobicContact CB-CE 4.24Å; E309-M312 HydrophobicContact CG-CE 3.78Å; E309-M312 PolarHBondContact O-N 3.19Å; E309-M312 WeakPolarHBondContact OE1-CE 3.33Å; E309-M312 WeakPolarHBondContact OE2-CE 3.34Å; E309-T313 WeakPolarHBondContact O-CB 3.29Å; E309-T313 PolarHBondContact O-N 3.48Å; E309-T313 PolarHBondContact O-OG1 3.06Å
310	L	88	Confident	84.3	Confident	99 Å²	99	51.7 Å²	51.7	52%	0.518	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-45.9	173.7	-175	134.5	0	0	0	111.7	G306 I307 L308 T313 A314	G306-L310 PolarHBondContact O-N 2.9Å; I307-L310 WeakPolarHBondContact O-CB 3.33Å; I307-L310 PolarHBondContact O-N 3.3Å; I307-L310 VanDerWaalsContact O-N 3.1Å; L308-L310 VanDerWaalsContact C-N 3.31Å; L308-L310 PolarHBondContact O-N 2.85Å; L310-T313 PolarHBondContact O-N 2.83Å; L310-A314 PolarHBondContact O-N 2.97Å
311	I	87	Confident	82.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-44.3	175.7	-56.2	-175.9	0	0	0	110.5	L108 E232 I233 Q236 V301 I307 L308 T313 A314 L315	L108-I311 HydrophobicContact CD1-CB 4.44Å; L108-I311 HydrophobicContact CD1-CG2 4.25Å; L108-I311 HydrophobicContact CD2-CB 4.25Å; L108-I311 HydrophobicContact CD2-CG2 3.39Å; L108-I311 HydrophobicContact CG-CG2 4.46Å; E232-I311 HydrophobicContact CB-CG2 3.86Å; E232-I311 HydrophobicContact CG-CB 4.1Å; E232-I311 HydrophobicContact CG-CD1 4.2Å; E232-I311 HydrophobicContact CG-CG1 3.73Å; E232-I311 HydrophobicContact CG-CG2 3.67Å; I233-I311 HydrophobicContact CB-CD1 4.49Å; I233-I311 HydrophobicContact CG1-CD1 3.8Å; Q236-I311 HydrophobicContact CG-CD1 3.99Å; Q236-I311 HydrophobicContact CG-CG1 4.23Å; V301-I311 HydrophobicContact CG1-CD1 4.41Å; I307-I311 HydrophobicContact CG2-CD1 4.16Å; I307-I311 HydrophobicContact CG2-CG1 4.34Å; I307-I311 WeakPolarHBondContact O-CG1 3.46Å; I307-I311 PolarHBondContact O-N 2.98Å; L308-I311 PolarHBondContact O-N 2.98Å; I311-T313 VanDerWaalsContact C-N 3.32Å; I311-T313 PolarHBondContact O-N 3.3Å; I311-A314 PolarHBondContact O-N 3.25Å; I311-L315 HydrophobicContact CG2-CD1 4.06Å; I311-L315 HydrophobicContact CG2-CG 4.36Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.18Å
312	M	86.1	Confident	80.9	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-57.8	-45.6	176.9	-76.2	-166.4	-59.4	0	0	111.5	K101 I104 R105 L108 L308 E309 A314 L315 Q316	K101-M312 HydrophobicContact CG-SD 4.46Å; I104-M312 HydrophobicContact CG2-CB 4.25Å; I104-M312 HydrophobicContact CG2-CG 3.89Å; R105-M312 HydrophobicContact CB-SD 4.23Å; L108-M312 HydrophobicContact CD1-CB 4.3Å; L108-M312 HydrophobicContact CD1-CG 3.19Å; L108-M312 HydrophobicContact CD1-SD 4.28Å; L308-M312 WeakPolarHBondContact O-CB 3.48Å; L308-M312 VanDerWaalsContact O-CG 3.27Å; L308-M312 WeakPolarHBondContact O-CG 3.07Å; L308-M312 PolarHBondContact O-N 3.14Å; E309-M312 HydrophobicContact CB-CE 4.24Å; E309-M312 HydrophobicContact CG-CE 3.78Å; E309-M312 PolarHBondContact O-N 3.19Å; E309-M312 WeakPolarHBondContact OE1-CE 3.33Å; E309-M312 WeakPolarHBondContact OE2-CE 3.34Å; M312-A314 PolarHBondContact O-N 3.22Å; M312-L315 PolarHBondContact O-N 3.38Å; M312-Q316 WeakPolarHBondContact O-CG 3.44Å; M312-Q316 PolarHBondContact O-N 2.94Å
313	T	87	Confident	79.3	Confident	65 Å²	65	59.5 Å²	59.5	40%	0.399	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-45.3	178.3	-57	0	0	0	0	111	E309 L310 I311 L315 Q316 I317	E309-T313 WeakPolarHBondContact O-CB 3.29Å; E309-T313 PolarHBondContact O-N 3.48Å; E309-T313 PolarHBondContact O-OG1 3.06Å; L310-T313 PolarHBondContact O-N 2.83Å; I311-T313 VanDerWaalsContact C-N 3.32Å; I311-T313 PolarHBondContact O-N 3.3Å; T313-L315 VanDerWaalsContact C-N 3.34Å; T313-L315 PolarHBondContact O-N 3.17Å; T313-Q316 PolarHBondContact O-N 2.82Å; T313-I317 HydrophobicContact CG2-CD1 4.06Å; T313-I317 WeakPolarHBondContact O-CG1 3.29Å; T313-I317 PolarHBondContact O-N 3.31Å
314	A	87	Confident	77	Confident	42 Å²	42	63.9 Å²	63.9	35%	0.347	34%	0.34	S	S	.	.	H	α-helix	trans	-59.8	-43.2	176.2	0	0	0	0	0	112	L310 I311 M312 A318	L310-A314 PolarHBondContact O-N 2.97Å; I311-A314 PolarHBondContact O-N 3.25Å; M312-A314 PolarHBondContact O-N 3.22Å; A314-A318 VanDerWaalsContact O-CB 3.28Å; A314-A318 WeakPolarHBondContact O-CB 3.48Å; A314-A318 PolarHBondContact O-N 3Å
315	L	85.5	Confident	74.4	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-68.5	-36.8	177.7	-69.5	175.8	0	0	0	113	I104 L108 M225 R228 A229 I311 M312 T313 A318 S319	I104-L315 HydrophobicContact CD1-CB 4.4Å; I104-L315 HydrophobicContact CG2-CB 3.94Å; I104-L315 HydrophobicContact CG2-CD1 3.74Å; L108-L315 HydrophobicContact CD2-CD1 3.84Å; L108-L315 HydrophobicContact CG-CD1 4.18Å; M225-L315 HydrophobicContact CE-CB 4.45Å; R228-L315 HydrophobicContact CB-CD2 3.75Å; A229-L315 HydrophobicContact CB-CD1 3.77Å; A229-L315 HydrophobicContact CB-CD2 4.48Å; I311-L315 HydrophobicContact CG2-CD1 4.06Å; I311-L315 HydrophobicContact CG2-CG 4.36Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.18Å; M312-L315 PolarHBondContact O-N 3.38Å; T313-L315 VanDerWaalsContact C-N 3.34Å; T313-L315 PolarHBondContact O-N 3.17Å; L315-A318 PolarHBondContact O-N 3.02Å; L315-S319 VanDerWaalsContact O-CB 3.3Å; L315-S319 WeakPolarHBondContact O-CB 3.3Å; L315-S319 PolarHBondContact O-N 3.17Å
316	Q	82.6	Confident	72.1	Confident	70 Å²	70	65.7 Å²	65.7	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-47.8	175.1	-77.2	178.4	-28.5	0	0	111.3	I104 M312 T313 A318 S319 F320	I104-Q316 HydrophobicContact CD1-CB 4.27Å; I104-Q316 HydrophobicContact CD1-CG 3.31Å; M312-Q316 WeakPolarHBondContact O-CG 3.44Å; M312-Q316 PolarHBondContact O-N 2.94Å; T313-Q316 PolarHBondContact O-N 2.82Å; Q316-A318 VanDerWaalsContact C-N 3.31Å; Q316-A318 PolarHBondContact O-N 3.46Å; Q316-S319 PolarHBondContact O-N 3.38Å; Q316-F320 WeakPolarHBondContact O-CB 3.37Å; Q316-F320 PolarHBondContact O-N 3.01Å
317	I	80.9	Confident	69.7	Low	98 Å²	98	66.5 Å²	66.5	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-59.3	-46.8	175.6	-66.2	166	0	0	0	109.7	T313 S319 F320 I321	T313-I317 HydrophobicContact CG2-CD1 4.06Å; T313-I317 WeakPolarHBondContact O-CG1 3.29Å; T313-I317 PolarHBondContact O-N 3.31Å; I317-S319 VanDerWaalsContact C-N 3.33Å; I317-S319 PolarHBondContact O-N 3.48Å; I317-F320 PolarHBondContact O-N 3.47Å; I317-I321 HydrophobicContact CG2-CD1 3.65Å; I317-I321 HydrophobicContact CG2-CG1 4.41Å; I317-I321 WeakPolarHBondContact O-CB 3.45Å; I317-I321 VanDerWaalsContact O-CG1 3.23Å; I317-I321 WeakPolarHBondContact O-CG1 3.36Å; I317-I321 PolarHBondContact O-N 3.27Å
318	A	76.5	Confident	66.8	Low	24 Å²	24	73.8 Å²	73.8	20%	0.198	38%	0.382	C	S	.	.	H	α-helix	trans	-65.8	-34.9	-179.1	0	0	0	0	0	112.7	R228 A314 L315 Q316 L322	R228-A318 PolarHBondContact NH1-O 3.03Å; A314-A318 VanDerWaalsContact O-CB 3.28Å; A314-A318 WeakPolarHBondContact O-CB 3.48Å; A314-A318 PolarHBondContact O-N 3Å; L315-A318 PolarHBondContact O-N 3.02Å; Q316-A318 VanDerWaalsContact C-N 3.31Å; Q316-A318 PolarHBondContact O-N 3.46Å; A318-L322 WeakPolarHBondContact O-CB 3.22Å; A318-L322 VanDerWaalsContact O-CG 3.23Å; A318-L322 WeakPolarHBondContact O-CG 3.26Å; A318-L322 PolarHBondContact O-N 3.43Å
319	S	72.7	Confident	64.1	Low	38 Å²	38	82.5 Å²	82.5	27%	0.266	43%	0.429	S	S	.	.	H	α-helix	trans	-69.6	-42.1	174.8	177.6	0	0	0	0	111.6	L315 Q316 I317 I321 L322 L323	L315-S319 VanDerWaalsContact O-CB 3.3Å; L315-S319 WeakPolarHBondContact O-CB 3.3Å; L315-S319 PolarHBondContact O-N 3.17Å; Q316-S319 PolarHBondContact O-N 3.38Å; I317-S319 VanDerWaalsContact C-N 3.33Å; I317-S319 PolarHBondContact O-N 3.48Å; S319-I321 VanDerWaalsContact C-N 3.34Å; S319-L322 PolarHBondContact O-N 3.22Å; S319-L323 WeakPolarHBondContact O-CG 3.49Å; S319-L323 PolarHBondContact O-N 2.95Å
320	F	69.8	Low	63	Low	113 Å²	113	82.9 Å²	82.9	50%	0.496	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-42.5	175.5	-176	-102	0	0	0	111.9	Q316 I317 R324	Q316-F320 WeakPolarHBondContact O-CB 3.37Å; Q316-F320 PolarHBondContact O-N 3.01Å; I317-F320 PolarHBondContact O-N 3.47Å; F320-R324 VanDerWaalsContact CE1-CZ 3.47Å; F320-R324 VanDerWaalsContact CE1-NE 3.27Å; F320-R324 WeakPolarHBondContact O-CG 3.24Å; F320-R324 PolarHBondContact O-N 3.22Å; F320-R324 VanDerWaalsContact O-N 3.07Å
321	I	58.7	Low	61.7	Low	81 Å²	81	82.1 Å²	82.1	42%	0.415	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-42.8	174.8	-67.5	168.2	0	0	0	110.5	I317 S319 R324 L325	I317-I321 HydrophobicContact CG2-CD1 3.65Å; I317-I321 HydrophobicContact CG2-CG1 4.41Å; I317-I321 WeakPolarHBondContact O-CB 3.45Å; I317-I321 VanDerWaalsContact O-CG1 3.23Å; I317-I321 WeakPolarHBondContact O-CG1 3.36Å; I317-I321 PolarHBondContact O-N 3.27Å; S319-I321 VanDerWaalsContact C-N 3.34Å; I321-R324 PolarHBondContact O-N 3.46Å; I321-L325 HydrophobicContact CG2-CD1 3.45Å; I321-L325 VanDerWaalsContact CG2-CD1 3.45Å; I321-L325 HydrophobicContact CG2-CG 4.01Å; I321-L325 WeakPolarHBondContact O-CB 3.47Å; I321-L325 VanDerWaalsContact O-CG 3.3Å; I321-L325 WeakPolarHBondContact O-CG 3.3Å; I321-L325 PolarHBondContact O-N 2.87Å
322	L	52.5	Low	60.3	Low	26 Å²	26	86.6 Å²	86.6	14%	0.136	45%	0.452	C	S	.	.	H	α-helix	trans	-62.5	-45.5	176.9	-79.5	-175.7	0	0	0	112.8	R228 A318 S319 R324 L325 F326	R228-L322 VanDerWaalsContact NH1-CG 3.29Å; A318-L322 WeakPolarHBondContact O-CB 3.22Å; A318-L322 VanDerWaalsContact O-CG 3.23Å; A318-L322 WeakPolarHBondContact O-CG 3.26Å; A318-L322 PolarHBondContact O-N 3.43Å; S319-L322 PolarHBondContact O-N 3.22Å; L322-R324 PolarHBondContact O-N 3.37Å; L322-L325 PolarHBondContact O-N 3.37Å; L322-F326 HydrophobicContact CD2-CD2 3.77Å; L322-F326 HydrophobicContact CD2-CE2 3.47Å; L322-F326 VanDerWaalsContact CD2-CE2 3.47Å; L322-F326 WeakPolarHBondContact O-CD2 3.4Å; L322-F326 PolarHBondContact O-N 3.35Å
323	L	54.5	Low	58.8	Low	123 Å²	123	91.4 Å²	91.4	64%	0.644	48%	0.477	S	S	*	.	H	α-helix	trans	-62.3	-31.9	176.8	-73.4	169.1	0	0	0	111.5	S319 A327	S319-L323 WeakPolarHBondContact O-CG 3.49Å; S319-L323 PolarHBondContact O-N 2.95Å; L323-A327 WeakPolarHBondContact O-CB 3.48Å; L323-A327 PolarHBondContact O-N 2.63Å
324	R	36.5	Very low	57	Low	174 Å²	174	93.1 Å²	93.1	66%	0.657	48%	0.482	S	S	*	.	H	α-helix	trans	-79	-33.9	175.3	-75.4	-170.1	175.1	-159.6	-2.9	114.4	F320 I321 L322	F320-R324 VanDerWaalsContact CE1-CZ 3.47Å; F320-R324 VanDerWaalsContact CE1-NE 3.27Å; F320-R324 WeakPolarHBondContact O-CG 3.24Å; F320-R324 PolarHBondContact O-N 3.22Å; F320-R324 VanDerWaalsContact O-N 3.07Å; I321-R324 PolarHBondContact O-N 3.46Å; L322-R324 PolarHBondContact O-N 3.37Å
325	L	31.6	Very low	55	Low	122 Å²	122	96.5 Å²	96.5	64%	0.639	49%	0.491	S	S	*	.	H	α-helix	trans	-83.7	-19	-177.2	-71.3	176.8	0	0	0	113.6	I321 L322	I321-L325 HydrophobicContact CG2-CD1 3.45Å; I321-L325 VanDerWaalsContact CG2-CD1 3.45Å; I321-L325 HydrophobicContact CG2-CG 4.01Å; I321-L325 WeakPolarHBondContact O-CB 3.47Å; I321-L325 VanDerWaalsContact O-CG 3.3Å; I321-L325 WeakPolarHBondContact O-CG 3.3Å; I321-L325 PolarHBondContact O-N 2.87Å; L322-L325 PolarHBondContact O-N 3.37Å
326	F	35.4	Very low	52.8	Low	110 Å²	110	102.9 Å²	102.9	48%	0.482	52%	0.524	S	S	.	.	S	Bend	trans	-118.4	14.8	-178.6	-67	-78.8	0	0	0	113.1	R224 L322 E328	R224-F326 VanDerWaalsContact NH1-CE2 3.35Å; L322-F326 HydrophobicContact CD2-CD2 3.77Å; L322-F326 HydrophobicContact CD2-CE2 3.47Å; L322-F326 VanDerWaalsContact CD2-CE2 3.47Å; L322-F326 WeakPolarHBondContact O-CD2 3.4Å; L322-F326 PolarHBondContact O-N 3.35Å; F326-E328 VanDerWaalsContact C-N 3.25Å
327	A	34.7	Very low	50.5	Low	78 Å²	78	105.5 Å²	105.5	65%	0.645	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	13.5	170.8	0	0	0	0	0	113	L323	L323-A327 WeakPolarHBondContact O-CB 3.48Å; L323-A327 PolarHBondContact O-N 2.63Å
328	E	25.2	Very low	48	Very low	183 Å²	183	106.1 Å²	106.1	86%	0.855	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	13.1	175.8	-70.1	-172.8	162.8	0	0	113.6	F326	F326-E328 VanDerWaalsContact C-N 3.25Å
329	D	27.8	Very low	45.4	Very low	201 Å²	201	113.5 Å²	113.5	100%	1.075	57%	0.574	S	S	*	*			trans	-120.3	0	169.2	-72.7	-32.9	0	0	0	111.1

Retrieved 329 of 329 residues in 249.3 ms (Link to these results)

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