A0A061HTB4_CRIGR Loading...

Small ribosomal subunit protein uS9

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB (Q3T0X6), UniProt , Accession A0A061HTB4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rps16, Length 146 aa.

						>A0A061HTB4_CRIGR|A0A061HTB4|Rps16
MPSKGPLQSVQVFGRKKTATAVAHCKRGNGLIKVNGRPLEMIEPRTLQYKLLEPVLLLGKERFAGVDIRVRVKGGGHVAQIYAIRQSISKALVAYYQKYVDEASKKEIKDILIQYDRTLLVADPRRCESKKFGGPGARARYQKSYR
					

Structure Viewer

Loading PAE data...

(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	73.1	Confident	229 Å²	229	113.8 Å²	113.8	100%	1.128	64%	0.638	S	S	*	*				0	121.5	0	-63.9	-76.1	-178.6	0	0	106.9	S3	M1-S3 PolarHBondContact O-N 2.69Å
2	P	49	Very low	75.2	Confident	125 Å²	125	106.6 Å²	106.6	81%	0.812	60%	0.598	S	S	*	*			trans	-60	118.6	172.7	26.5	-30.6	0	0	0	106.8	K4	P2-K4 PolarHBondContact O-N 3.27Å
3	S	48.5	Very low	76.9	Confident	115 Å²	115	107.8 Å²	107.8	80%	0.804	59%	0.594	S	S	*	*			trans	-54.3	110.8	177.2	48.8	0	0	0	0	107.8	M1 G5	M1-S3 PolarHBondContact O-N 2.69Å; S3-G5 PolarHBondContact O-N 3.34Å
4	K	61	Low	78.4	Confident	200 Å²	200	100.1 Å²	100.1	87%	0.87	55%	0.551	S	S	*	*			trans	-67.3	87.4	173	-79.4	179.1	178.1	171.3	0	107.1	P2	P2-K4 PolarHBondContact O-N 3.27Å
5	G	66.3	Low	79.7	Confident	46 Å²	46	100.7 Å²	100.7	47%	0.474	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-52.6	159	162.6	0	0	0	0	0	109.7	S3 L7	S3-G5 PolarHBondContact O-N 3.34Å; G5-L7 PolarHBondContact O-N 3.05Å
6	P	74.1	Confident	80.8	Confident	132 Å²	132	96.6 Å²	96.6	86%	0.857	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-52.3	121.1	-178.5	20.7	-31.2	0	0	0	109.5	Q8	P6-Q8 PolarHBondContact O-N 3.4Å; P6-Q8 VanDerWaalsContact O-N 3.09Å
7	L	82	Confident	81.7	Confident	138 Å²	138	98.6 Å²	98.6	72%	0.723	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-55.5	119.6	-180	-81.1	153.9	0	0	0	108.3	G5 S9	G5-L7 PolarHBondContact O-N 3.05Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.42Å
8	Q	90.5	Very high	82.6	Confident	77 Å²	77	98.4 Å²	98.4	36%	0.36	52%	0.524	S	S	.	.			trans	-66.8	92.6	174.1	-69.5	-178.3	-9.8	0	0	108.6	P6 K26 R27 Y99	P6-Q8 PolarHBondContact O-N 3.4Å; P6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-K26 WeakPolarHBondContact O-CA 3.32Å; Q8-R27 PolarHBondContact O-N 3.15Å; Q8-Y99 HydrophobicContact CB-CD1 4.25Å; Q8-Y99 HydrophobicContact CB-CD2 4.39Å; Q8-Y99 HydrophobicContact CB-CE1 3.99Å; Q8-Y99 HydrophobicContact CB-CE2 4.13Å; Q8-Y99 HydrophobicContact CB-CG 4.44Å; Q8-Y99 HydrophobicContact CG-CD1 3.97Å; Q8-Y99 HydrophobicContact CG-CE1 3.79Å
9	S	94.3	Very high	83.4	Confident	32 Å²	32	93.2 Å²	93.2	22%	0.224	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.3	180	69.5	0	0	0	0	112.3	L7 C25 Y99	L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.42Å; S9-C25 CarbonylContact C-O 3.48Å; S9-C25 WeakPolarHBondContact CA-O 3.45Å; S9-C25 VanDerWaalsContact CB-O 3.26Å; S9-C25 WeakPolarHBondContact CB-O 3.49Å; S9-Y99 PolarHBondContact N-OH 2.91Å; S9-Y99 PolarHBondContact O-OH 2.96Å
10	V	96.8	Very high	84.1	Confident	20 Å²	20	91.4 Å²	91.4	12%	0.121	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138	175.4	-168.7	0	0	0	0	108.2	V12 C25 A94 Y95 K98 Y99	V10-V12 HydrophobicContact CG1-CG2 3.85Å; V10-C25 PolarHBondContact N-O 2.96Å; V10-C25 PolarHBondContact O-N 3.07Å; V10-A94 HydrophobicContact CG1-CB 3.67Å; V10-Y95 HydrophobicContact CG2-CD2 4.23Å; V10-K98 HydrophobicContact CG2-CD 4.17Å; V10-Y99 HydrophobicContact CG2-CD2 4.18Å; V10-Y99 HydrophobicContact CG2-CE2 3.65Å
11	Q	97.6	Very high	84.8	Confident	138 Å²	138	87 Å²	87	65%	0.645	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.2	174.4	-169.3	172.2	7.8	0	0	109.5	V22 A23	Q11-V22 HydrophobicContact CG-CG1 3.91Å; Q11-V22 VanDerWaalsContact NE2-CG1 3.27Å; Q11-A23 WeakPolarHBondContact CA-O 3.3Å
12	V	98.2	Very high	87.4	Confident	27 Å²	27	78.6 Å²	78.6	16%	0.164	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.4	-177.9	-147.9	0	0	0	0	110	V10 V22 A23 K90 A91 A94	V10-V12 HydrophobicContact CG1-CG2 3.85Å; V12-V22 CarbonylContact O-C 3.15Å; V12-V22 WeakPolarHBondContact O-CA 3.49Å; V12-A23 PolarHBondContact N-O 2.99Å; V12-A23 PolarHBondContact O-N 2.77Å; V12-K90 HydrophobicContact CB-CB 4.26Å; V12-K90 HydrophobicContact CG1-CB 3.76Å; V12-K90 HydrophobicContact CG1-CD 3.96Å; V12-K90 HydrophobicContact CG1-CG 4.5Å; V12-A91 HydrophobicContact CG2-CB 4.45Å; V12-A94 HydrophobicContact CG2-CB 3.89Å
13	F	98	Very high	89.7	Confident	123 Å²	123	72.7 Å²	72.7	54%	0.539	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.5	179.1	69.1	-87.4	0	0	0	113	A21 K90	F13-A21 CarbonylContact C-O 3.56Å; F13-A21 WeakPolarHBondContact CA-O 3.29Å; F13-K90 VanDerWaalsContact O-CD 3.26Å; F13-K90 WeakPolarHBondContact O-CD 2.79Å; F13-K90 PolarHBondContact O-NZ 2.93Å
14	G	97.8	Very high	92.1	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	149.4	166.7	0	0	0	0	0	110.5	A21	G14-A21 PolarHBondContact N-O 3.05Å; G14-A21 PolarHBondContact O-N 3.33Å
15	R	97.4	Very high	93.8	Very high	109 Å²	109	61.1 Å²	61.1	41%	0.411	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	131.9	-176.7	-168.3	173.6	-178.5	-172.6	-3.4	111.9	A19 T20 Q86	R15-A19 WeakPolarHBondContact CA-O 3.35Å; R15-A19 WeakPolarHBondContact CG-O 3.45Å; R15-T20 HydrophobicContact CG-CG2 4.21Å; R15-Q86 PolarHBondContact O-OE1 3.34Å
16	K	97.7	Very high	95.1	Very high	34 Å²	34	63.2 Å²	63.2	15%	0.148	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	124.8	170.7	-176.2	73.8	165.7	-168.1	0	108.9	T18 A19 A79 A83 D123	K16-T18 PolarHBondContact O-N 3.27Å; K16-A19 PolarHBondContact N-O 2.97Å; K16-A19 WeakPolarHBondContact O-CB 3.16Å; K16-A19 PolarHBondContact O-N 3.19Å; K16-A79 HydrophobicContact CB-CB 4.42Å; K16-A79 WeakPolarHBondContact CB-O 3.41Å; K16-A79 HydrophobicContact CG-CB 4.19Å; K16-A83 HydrophobicContact CB-CB 4.43Å; K16-D123 HydrophobicContact CD-CB 3.95Å; K16-D123 IonicContact NZ-OD2 2.8Å; K16-D123 PolarHBondContact NZ-OD2 3.21Å
17	K	96.4	Very high	96.1	Very high	132 Å²	132	65.4 Å²	65.4	57%	0.574	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	-126.3	-170.8	-61.1	-175.6	175.5	-176.6	0	109.9	A79 R126	K17-A79 HydrophobicContact CB-CB 4.42Å; K17-R126 PolarHBondContact O-NE 2.62Å; K17-R126 PolarHBondContact O-NH1 2.85Å; K17-R126 PolarHBondContact O-NH2 2.8Å; K17-R126 VanDerWaalsContact O-NH2 3.08Å
18	T	97	Very high	96.6	Very high	94 Å²	94	59.7 Å²	59.7	58%	0.577	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.3	176.3	52.2	0	0	0	0	113.5	K16 G75	K16-T18 PolarHBondContact O-N 3.27Å; T18-G75 VanDerWaalsContact OG1-CA 3.27Å; T18-G75 WeakPolarHBondContact OG1-CA 3.47Å; T18-G75 PolarHBondContact OG1-N 3Å
19	A	97.7	Very high	96.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128	176.6	0	0	0	0	0	111	R15 K16 G74 A79 Q80 A83	R15-A19 WeakPolarHBondContact CA-O 3.35Å; R15-A19 WeakPolarHBondContact CG-O 3.45Å; K16-A19 PolarHBondContact N-O 2.97Å; K16-A19 WeakPolarHBondContact O-CB 3.16Å; K16-A19 PolarHBondContact O-N 3.19Å; A19-G74 WeakPolarHBondContact CB-O 3.35Å; A19-A79 HydrophobicContact CB-CB 3.89Å; A19-Q80 HydrophobicContact CB-CB 4.5Å; A19-Q80 HydrophobicContact CB-CG 3.88Å; A19-A83 HydrophobicContact CB-CB 4.22Å
20	T	98	Very high	96.7	Very high	57 Å²	57	63.2 Å²	63.2	35%	0.35	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.6	175.7	51.4	0	0	0	0	109.3	R15 V72 K73	R15-T20 HydrophobicContact CG-CG2 4.21Å; T20-V72 WeakPolarHBondContact O-CA 3.49Å; T20-K73 PolarHBondContact N-O 3.36Å; T20-K73 PolarHBondContact O-N 2.82Å; T20-K73 PolarHBondContact OG1-O 2.96Å
21	A	98.2	Very high	96.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.1	176.2	0	0	0	0	0	108.8	F13 G14 V70 R71 V72 A83 I84	F13-A21 CarbonylContact C-O 3.56Å; F13-A21 WeakPolarHBondContact CA-O 3.29Å; G14-A21 PolarHBondContact N-O 3.05Å; G14-A21 PolarHBondContact O-N 3.33Å; A21-V70 HydrophobicContact CB-CG1 3.92Å; A21-R71 CarbonylContact C-O 3.54Å; A21-R71 WeakPolarHBondContact CA-O 3.4Å; A21-V72 HydrophobicContact CB-CG1 4.4Å; A21-V72 HydrophobicContact CB-CG2 3.9Å; A21-A83 VanDerWaalsContact CB-C 3.49Å; A21-A83 HydrophobicContact CB-CB 3.81Å; A21-A83 WeakPolarHBondContact CB-O 3.43Å; A21-I84 HydrophobicContact CB-CG1 4.31Å
22	V	98.5	Very high	96.5	Very high	52 Å²	52	60.9 Å²	60.9	32%	0.315	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.6	178	-178.7	0	0	0	0	108	Q11 V12 V70 R71	Q11-V22 HydrophobicContact CG-CG1 3.91Å; Q11-V22 VanDerWaalsContact NE2-CG1 3.27Å; V12-V22 CarbonylContact O-C 3.15Å; V12-V22 WeakPolarHBondContact O-CA 3.49Å; V22-V70 CarbonylContact O-C 3.39Å; V22-V70 WeakPolarHBondContact O-CA 3.42Å; V22-R71 PolarHBondContact N-O 3.31Å; V22-R71 PolarHBondContact O-N 3.14Å
23	A	98.1	Very high	96.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.6	177.8	0	0	0	0	0	109.9	Q11 V12 I68 V70 A91	Q11-A23 WeakPolarHBondContact CA-O 3.3Å; V12-A23 PolarHBondContact N-O 2.99Å; V12-A23 PolarHBondContact O-N 2.77Å; A23-I68 HydrophobicContact CB-CG2 4.2Å; A23-V70 HydrophobicContact CB-CG2 4.11Å; A23-A91 HydrophobicContact CB-CB 4.01Å
24	H	97.5	Very high	96.3	Very high	73 Å²	73	58 Å²	58	34%	0.338	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	110.1	168.2	-178.7	-84	0	0	0	108.1	R69	H24-R69 PolarHBondContact N-O 3.08Å; H24-R69 PolarHBondContact O-N 3.37Å
25	C	96.7	Very high	96.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.7	177.8	-178.5	0	0	0	0	109.2	S9 V10 D67 I68 A91	S9-C25 CarbonylContact C-O 3.48Å; S9-C25 WeakPolarHBondContact CA-O 3.45Å; S9-C25 VanDerWaalsContact CB-O 3.26Å; S9-C25 WeakPolarHBondContact CB-O 3.49Å; V10-C25 PolarHBondContact N-O 2.96Å; V10-C25 PolarHBondContact O-N 3.07Å; C25-D67 WeakPolarHBondContact CA-O 3.46Å; C25-I68 HydrophobicContact CB-CG1 4.29Å; C25-A91 HydrophobicContact CB-CB 4.02Å
26	K	95.3	Very high	96.1	Very high	90 Å²	90	57.9 Å²	57.9	39%	0.391	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	161.7	175.1	61.4	168.9	-172.5	160.4	0	109.2	Q8 G28 V66 D67	Q8-K26 WeakPolarHBondContact O-CA 3.32Å; K26-G28 PolarHBondContact O-N 3.07Å; K26-V66 CarbonylContact O-C 3.49Å; K26-V66 WeakPolarHBondContact O-CA 3.41Å; K26-D67 WeakPolarHBondContact CE-OD2 3.24Å; K26-D67 HydrophobicContact CG-CB 3.96Å; K26-D67 PolarHBondContact N-O 3.39Å; K26-D67 IonicContact NZ-OD2 2.69Å; K26-D67 PolarHBondContact O-N 3.03Å
27	R	94.6	Very high	96	Very high	178 Å²	178	64.4 Å²	64.4	67%	0.672	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	134.9	166.8	-169.5	171.4	176	162.5	-1.7	110.2	Q8	Q8-R27 PolarHBondContact O-N 3.15Å
28	G	93.3	Very high	95.9	Very high	18 Å²	18	60.3 Å²	60.3	19%	0.186	32%	0.315	C	S	.	.	S	Bend	trans	-175.2	-153.9	-174.2	0	0	0	0	0	113.4	K26 G65	K26-G28 PolarHBondContact O-N 3.07Å; G28-G65 PolarHBondContact N-O 3.26Å; G28-G65 CarbonylContact O-C 3.57Å; G28-G65 WeakPolarHBondContact O-CA 3.35Å
29	N	93.2	Very high	95.6	Very high	154 Å²	154	56.7 Å²	56.7	82%	0.824	29%	0.292	S	S	*	.	S	Bend	trans	-115.1	21.8	-169.4	-60.7	-8.4	0	0	0	112.4	A64 D67	N29-A64 CarbonylContact C-O 3.53Å; N29-A64 WeakPolarHBondContact CA-O 3.36Å; N29-D67 PolarHBondContact N-OD1 2.94Å
30	G	92.8	Very high	95.2	Very high	28 Å²	28	63.4 Å²	63.4	29%	0.289	32%	0.324	S	S	.	.	S	Bend	trans	85.9	17.3	179.7	0	0	0	0	0	115.2	I32 F63 A64 V66 D67	G30-I32 PolarHBondContact O-N 3.09Å; G30-F63 WeakPolarHBondContact CA-O 3.35Å; G30-A64 PolarHBondContact N-O 3.33Å; G30-A64 VanDerWaalsContact N-O 3.09Å; G30-V66 WeakPolarHBondContact CA-O 3.29Å; G30-V66 PolarHBondContact N-O 2.82Å; G30-D67 PolarHBondContact N-OD1 3.22Å
31	L	94.5	Very high	94.9	Very high	89 Å²	89	66.5 Å²	66.5	47%	0.466	34%	0.336	S	S	.	.			trans	-78.7	115.6	-178.2	-172.7	70.8	0	0	0	111.3	K33 D67 I68	L31-K33 HydrophobicContact CD1-CG 4.49Å; L31-K33 HydrophobicContact CD2-CD 4Å; L31-K33 HydrophobicContact CD2-CG 4.45Å; L31-K33 HydrophobicContact CG-CD 4.28Å; L31-K33 HydrophobicContact CG-CG 4.2Å; L31-D67 HydrophobicContact CB-CB 4.4Å; L31-D67 WeakPolarHBondContact CB-OD1 3.38Å; L31-D67 PolarHBondContact N-OD1 3.11Å; L31-D67 CarbonylContact O-C 3.47Å; L31-D67 WeakPolarHBondContact O-CA 3.3Å; L31-I68 PolarHBondContact O-N 2.83Å
32	I	95.7	Very high	94.7	Very high	20 Å²	20	67.8 Å²	67.8	10%	0.103	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.1	174	-49.7	167.6	0	0	0	110.6	G30 L39 V55 F63 I68 I88	G30-I32 PolarHBondContact O-N 3.09Å; I32-L39 HydrophobicContact CB-CD1 3.58Å; I32-L39 HydrophobicContact CB-CG 4.06Å; I32-L39 HydrophobicContact CD1-CD1 3.99Å; I32-L39 HydrophobicContact CG1-CD1 4.39Å; I32-L39 HydrophobicContact CG2-CD1 3.5Å; I32-L39 HydrophobicContact CG2-CD2 3.77Å; I32-L39 HydrophobicContact CG2-CG 3.71Å; I32-V55 HydrophobicContact CD1-CG2 3.94Å; I32-F63 HydrophobicContact CD1-CD1 3.97Å; I32-F63 HydrophobicContact CD1-CE1 4.46Å; I32-F63 HydrophobicContact CD1-CG 4.48Å; I32-I68 WeakPolarHBondContact CA-O 3.48Å; I32-I68 HydrophobicContact CG1-CB 4.24Å; I32-I68 HydrophobicContact CG1-CD1 4.49Å; I32-I68 HydrophobicContact CG2-CB 4.17Å; I32-I68 HydrophobicContact CG2-CG2 4.5Å; I32-I88 HydrophobicContact CG2-CD1 4.21Å
33	K	96.3	Very high	94.3	Very high	81 Å²	81	72 Å²	72	35%	0.352	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.9	179.4	-72.9	-179.1	174.5	175.7	0	111.5	L31 R37 I68 R69 V70	L31-K33 HydrophobicContact CD1-CG 4.49Å; L31-K33 HydrophobicContact CD2-CD 4Å; L31-K33 HydrophobicContact CD2-CG 4.45Å; L31-K33 HydrophobicContact CG-CD 4.28Å; L31-K33 HydrophobicContact CG-CG 4.2Å; K33-R37 CarbonylContact C-O 3.57Å; K33-R37 VanDerWaalsContact CA-O 3.25Å; K33-R37 WeakPolarHBondContact CA-O 3.44Å; K33-R37 WeakPolarHBondContact CB-O 3.45Å; K33-I68 PolarHBondContact N-O 2.6Å; K33-R69 CarbonylContact O-C 3.54Å; K33-R69 WeakPolarHBondContact O-CA 3.45Å; K33-V70 PolarHBondContact O-N 3.43Å
34	V	96.3	Very high	94.1	Very high	9 Å²	9	73.8 Å²	73.8	6%	0.055	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.6	173.7	-176	0	0	0	0	109	G36 R37 L39 I42 V70 V72 I84	V34-G36 PolarHBondContact O-N 2.9Å; V34-R37 PolarHBondContact N-O 3.21Å; V34-R37 PolarHBondContact O-N 3.28Å; V34-L39 HydrophobicContact CG2-CD2 3.66Å; V34-I42 HydrophobicContact CB-CD1 3.57Å; V34-I42 HydrophobicContact CB-CG1 4.31Å; V34-I42 HydrophobicContact CG1-CD1 4.06Å; V34-I42 HydrophobicContact CG2-CD1 3.41Å; V34-I42 VanDerWaalsContact CG2-CD1 3.41Å; V34-V70 CarbonylContact C-O 3.1Å; V34-V70 WeakPolarHBondContact CA-O 3.16Å; V34-V70 HydrophobicContact CG1-CB 4.46Å; V34-V70 HydrophobicContact CG2-CB 4.11Å; V34-V70 HydrophobicContact CG2-CG2 4.37Å; V34-V72 HydrophobicContact CG1-CG2 3.66Å; V34-I84 HydrophobicContact CG1-CD1 3.75Å; V34-I84 HydrophobicContact CG1-CG1 4.15Å; V34-I84 HydrophobicContact CG2-CD1 4.47Å; V34-I84 HydrophobicContact CG2-CG2 3.93Å
35	N	96	Very high	93.9	Very high	69 Å²	69	80 Å²	80	37%	0.369	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	28.7	-177.4	-72.3	-22.3	0	0	0	114.3	R37 V70 R71 V72	N35-R37 VanDerWaalsContact C-N 3.33Å; N35-V70 PolarHBondContact N-O 2.71Å; N35-R71 WeakPolarHBondContact OD1-CA 3.31Å; N35-V72 PolarHBondContact ND2-O 2.8Å; N35-V72 PolarHBondContact OD1-N 2.68Å
36	G	94.8	Very high	93.7	Very high	38 Å²	38	85.9 Å²	85.9	39%	0.392	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-8.9	-178.7	0	0	0	0	0	114.7	V34	V34-G36 PolarHBondContact O-N 2.9Å
37	R	94.9	Very high	93.7	Very high	170 Å²	170	83.5 Å²	83.5	64%	0.642	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	151.3	175.9	-60.1	-178.2	-176.7	177.5	-0.5	110.6	K33 V34 N35	K33-R37 CarbonylContact C-O 3.57Å; K33-R37 VanDerWaalsContact CA-O 3.25Å; K33-R37 WeakPolarHBondContact CA-O 3.44Å; K33-R37 WeakPolarHBondContact CB-O 3.45Å; V34-R37 PolarHBondContact N-O 3.21Å; V34-R37 PolarHBondContact O-N 3.28Å; N35-R37 VanDerWaalsContact C-N 3.33Å
38	P	94.3	Very high	93.6	Very high	47 Å²	47	77.1 Å²	77.1	31%	0.305	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	158.5	171.8	28.1	-33.5	0	0	0	111.3	E40 M41	P38-E40 PolarHBondContact O-N 2.95Å; P38-E40 VanDerWaalsContact O-N 3.14Å; P38-M41 HydrophobicContact CG-CE 3.49Å; P38-M41 VanDerWaalsContact CG-CE 3.49Å; P38-M41 HydrophobicContact CG-CG 3.97Å; P38-M41 HydrophobicContact CG-SD 3.81Å; P38-M41 PolarHBondContact O-N 3.19Å
39	L	90.8	Very high	93.6	Very high	18 Å²	18	84.8 Å²	84.8	9%	0.094	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-55.3	-31.4	-178	-72.9	166.8	0	0	0	113.3	I32 V34 M41 I42 L51 L52 I88	I32-L39 HydrophobicContact CB-CD1 3.58Å; I32-L39 HydrophobicContact CB-CG 4.06Å; I32-L39 HydrophobicContact CD1-CD1 3.99Å; I32-L39 HydrophobicContact CG1-CD1 4.39Å; I32-L39 HydrophobicContact CG2-CD1 3.5Å; I32-L39 HydrophobicContact CG2-CD2 3.77Å; I32-L39 HydrophobicContact CG2-CG 3.71Å; V34-L39 HydrophobicContact CG2-CD2 3.66Å; L39-M41 VanDerWaalsContact C-N 3.3Å; L39-M41 PolarHBondContact O-N 3.42Å; L39-I42 HydrophobicContact CD2-CD1 4.11Å; L39-I42 WeakPolarHBondContact O-CB 3.27Å; L39-I42 WeakPolarHBondContact O-CD1 3.48Å; L39-I42 WeakPolarHBondContact O-CG1 3.5Å; L39-I42 PolarHBondContact O-N 2.86Å; L39-L51 HydrophobicContact CB-CD2 3.78Å; L39-L51 HydrophobicContact CD1-CD2 4.48Å; L39-L51 HydrophobicContact CD2-CD1 4.48Å; L39-L51 HydrophobicContact CD2-CD2 3.35Å; L39-L51 HydrophobicContact CD2-CG 4.14Å; L39-L51 HydrophobicContact CG-CD2 4.04Å; L39-L52 HydrophobicContact CD1-CD2 4.17Å; L39-I88 HydrophobicContact CD2-CD1 3.92Å
40	E	89.7	Confident	93.7	Very high	141 Å²	141	80.6 Å²	80.6	66%	0.659	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-71.9	-22.1	-174.1	-63.3	171.6	-175.7	0	0	114.5	P38 I42 Q48	P38-E40 PolarHBondContact O-N 2.95Å; P38-E40 VanDerWaalsContact O-N 3.14Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 3.37Å; E40-Q48 VanDerWaalsContact CA-NE2 3.29Å; E40-Q48 PolarHBondContact O-NE2 3.08Å
41	M	92.3	Very high	93.7	Very high	122 Å²	122	79.4 Å²	79.4	60%	0.601	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-89.9	8.6	-179.9	-64.8	179.2	-161.6	0	0	112.8	P38 L39	P38-M41 HydrophobicContact CG-CE 3.49Å; P38-M41 VanDerWaalsContact CG-CE 3.49Å; P38-M41 HydrophobicContact CG-CG 3.97Å; P38-M41 HydrophobicContact CG-SD 3.81Å; P38-M41 PolarHBondContact O-N 3.19Å; L39-M41 VanDerWaalsContact C-N 3.3Å; L39-M41 PolarHBondContact O-N 3.42Å
42	I	92.4	Very high	93.7	Very high	26 Å²	26	77.2 Å²	77.2	13%	0.133	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-83.3	127.4	-178	-60.8	169.6	0	0	0	109.3	V34 L39 E40 L51 I81 I84	V34-I42 HydrophobicContact CB-CD1 3.57Å; V34-I42 HydrophobicContact CB-CG1 4.31Å; V34-I42 HydrophobicContact CG1-CD1 4.06Å; V34-I42 HydrophobicContact CG2-CD1 3.41Å; V34-I42 VanDerWaalsContact CG2-CD1 3.41Å; L39-I42 HydrophobicContact CD2-CD1 4.11Å; L39-I42 WeakPolarHBondContact O-CB 3.27Å; L39-I42 WeakPolarHBondContact O-CD1 3.48Å; L39-I42 WeakPolarHBondContact O-CG1 3.5Å; L39-I42 PolarHBondContact O-N 2.86Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 3.37Å; I42-L51 HydrophobicContact CB-CD1 4.38Å; I42-L51 HydrophobicContact CD1-CD1 3.49Å; I42-L51 VanDerWaalsContact CD1-CD1 3.49Å; I42-L51 HydrophobicContact CD1-CD2 4.15Å; I42-L51 HydrophobicContact CD1-CG 4.46Å; I42-L51 HydrophobicContact CG2-CD1 4.09Å; I42-I81 HydrophobicContact CG2-CG1 4.41Å; I42-I84 HydrophobicContact CD1-CD1 4.43Å
43	E	90.9	Very high	93.6	Very high	141 Å²	141	77.3 Å²	77.3	66%	0.659	37%	0.371	S	S	*	.	S	Bend	trans	-90.8	150.6	176.1	-66.3	-177.3	166.7	0	0	112.2
44	P	94.4	Very high	93.5	Very high	38 Å²	38	73.5 Å²	73.5	25%	0.247	35%	0.354	C	S	.	.	P	Polyproline II helix	cis	-79	145.6	-6.4	31.1	-37.9	0	0	0	113.4	T46 L47 I81	P44-T46 PolarHBondContact O-N 3.5Å; P44-T46 VanDerWaalsContact O-N 3.15Å; P44-L47 HydrophobicContact CG-CB 4.25Å; P44-L47 HydrophobicContact CG-CD1 3.92Å; P44-L47 HydrophobicContact CG-CG 4.15Å; P44-L47 PolarHBondContact O-N 2.96Å; P44-I81 HydrophobicContact CG-CD1 4.36Å
45	R	92.3	Very high	93.4	Very high	203 Å²	203	73.9 Å²	73.9	77%	0.766	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-54.6	-32.2	176.7	-86.4	-178.8	173.6	169.2	-2	113.7	L47 Q48	R45-L47 PolarHBondContact O-N 3.37Å; R45-L47 VanDerWaalsContact O-N 3.17Å; R45-Q48 WeakPolarHBondContact O-CB 3.23Å; R45-Q48 PolarHBondContact O-N 2.96Å; R45-Q48 VanDerWaalsContact O-N 3.11Å
46	T	93.9	Very high	93.3	Very high	124 Å²	124	76 Å²	76	76%	0.761	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-60.6	-25.9	178.7	54	0	0	0	0	113.4	P44	P44-T46 PolarHBondContact O-N 3.5Å; P44-T46 VanDerWaalsContact O-N 3.15Å
47	L	94.8	Very high	93.3	Very high	39 Å²	39	77 Å²	77	20%	0.204	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-104.3	10.1	-179.5	-67	178.3	0	0	0	113.1	P44 R45 Y49 K50 L51 V78 I81	P44-L47 HydrophobicContact CG-CB 4.25Å; P44-L47 HydrophobicContact CG-CD1 3.92Å; P44-L47 HydrophobicContact CG-CG 4.15Å; P44-L47 PolarHBondContact O-N 2.96Å; R45-L47 PolarHBondContact O-N 3.37Å; R45-L47 VanDerWaalsContact O-N 3.17Å; L47-Y49 VanDerWaalsContact C-N 3.26Å; L47-Y49 PolarHBondContact O-N 3.15Å; L47-K50 HydrophobicContact CD2-CG 4.2Å; L47-K50 WeakPolarHBondContact O-CB 3.43Å; L47-K50 PolarHBondContact O-N 3.25Å; L47-K50 VanDerWaalsContact O-N 3.08Å; L47-L51 PolarHBondContact O-N 2.98Å; L47-V78 HydrophobicContact CD1-CB 4.25Å; L47-V78 HydrophobicContact CD1-CG1 4.05Å; L47-V78 HydrophobicContact CD1-CG2 3.82Å; L47-I81 HydrophobicContact CB-CD1 3.4Å; L47-I81 VanDerWaalsContact CB-CD1 3.4Å; L47-I81 HydrophobicContact CB-CG2 4.39Å; L47-I81 HydrophobicContact CD1-CD1 3.96Å; L47-I81 HydrophobicContact CG-CD1 4.34Å
48	Q	92.2	Very high	93.2	Very high	44 Å²	44	69.5 Å²	69.5	21%	0.206	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-36.8	179.5	-167.3	172.4	-7.8	0	0	111.8	E40 R45 K50 L51 L52	E40-Q48 VanDerWaalsContact CA-NE2 3.29Å; E40-Q48 PolarHBondContact O-NE2 3.08Å; R45-Q48 WeakPolarHBondContact O-CB 3.23Å; R45-Q48 PolarHBondContact O-N 2.96Å; R45-Q48 VanDerWaalsContact O-N 3.11Å; Q48-K50 VanDerWaalsContact C-N 3.35Å; Q48-K50 PolarHBondContact O-N 3.08Å; Q48-L51 WeakPolarHBondContact O-CB 3.49Å; Q48-L51 PolarHBondContact O-N 3.17Å; Q48-L51 VanDerWaalsContact O-N 3.15Å; Q48-L52 HydrophobicContact CG-CD1 4.4Å; Q48-L52 PolarHBondContact O-N 2.94Å
49	Y	93.5	Very high	93.2	Very high	179 Å²	179	68.6 Å²	68.6	70%	0.702	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-39.9	173.6	-71.8	-71.8	0	0	0	112.7	L47 L51 L52 E53	L47-Y49 VanDerWaalsContact C-N 3.26Å; L47-Y49 PolarHBondContact O-N 3.15Å; Y49-L51 PolarHBondContact O-N 3.46Å; Y49-L52 PolarHBondContact O-N 2.99Å; Y49-L52 VanDerWaalsContact O-N 3.15Å; Y49-E53 WeakPolarHBondContact O-CG 3.24Å; Y49-E53 PolarHBondContact O-N 2.78Å
50	K	95	Very high	93.2	Very high	67 Å²	67	75.8 Å²	75.8	29%	0.291	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-31.2	176.3	-75.2	-74.8	166.6	-156.6	0	112.5	L47 Q48 E53 I81 R85	L47-K50 HydrophobicContact CD2-CG 4.2Å; L47-K50 WeakPolarHBondContact O-CB 3.43Å; L47-K50 PolarHBondContact O-N 3.25Å; L47-K50 VanDerWaalsContact O-N 3.08Å; Q48-K50 VanDerWaalsContact C-N 3.35Å; Q48-K50 PolarHBondContact O-N 3.08Å; K50-E53 IonicContact NZ-OE1 2.69Å; K50-E53 PolarHBondContact NZ-OE1 3.48Å; K50-E53 IonicContact NZ-OE2 3.73Å; K50-I81 HydrophobicContact CB-CG2 4.18Å; K50-R85 WeakPolarHBondContact O-CD 3.18Å; K50-R85 VanDerWaalsContact O-CG 3.25Å; K50-R85 WeakPolarHBondContact O-CG 3.11Å; K50-R85 PolarHBondContact O-NE 3.16Å
51	L	93.3	Very high	93.3	Very high	2 Å²	2	77.5 Å²	77.5	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-78.6	-33.3	178.3	179.6	135.9	0	0	0	112.2	L39 I42 L47 Q48 Y49 I81 I84	L39-L51 HydrophobicContact CB-CD2 3.78Å; L39-L51 HydrophobicContact CD1-CD2 4.48Å; L39-L51 HydrophobicContact CD2-CD1 4.48Å; L39-L51 HydrophobicContact CD2-CD2 3.35Å; L39-L51 HydrophobicContact CD2-CG 4.14Å; L39-L51 HydrophobicContact CG-CD2 4.04Å; I42-L51 HydrophobicContact CB-CD1 4.38Å; I42-L51 HydrophobicContact CD1-CD1 3.49Å; I42-L51 VanDerWaalsContact CD1-CD1 3.49Å; I42-L51 HydrophobicContact CD1-CD2 4.15Å; I42-L51 HydrophobicContact CD1-CG 4.46Å; I42-L51 HydrophobicContact CG2-CD1 4.09Å; L47-L51 PolarHBondContact O-N 2.98Å; Q48-L51 WeakPolarHBondContact O-CB 3.49Å; Q48-L51 PolarHBondContact O-N 3.17Å; Q48-L51 VanDerWaalsContact O-N 3.15Å; Y49-L51 PolarHBondContact O-N 3.46Å; L51-I81 HydrophobicContact CB-CG2 4.24Å; L51-I81 HydrophobicContact CD1-CG1 4.48Å; L51-I84 HydrophobicContact CD1-CB 4.19Å; L51-I84 HydrophobicContact CD1-CD1 3.99Å; L51-I84 HydrophobicContact CD1-CG2 3.8Å; L51-I84 HydrophobicContact CG-CG2 4.27Å
52	L	93.3	Very high	93.3	Very high	44 Å²	44	74.3 Å²	74.3	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-84.1	-16	178.1	-68.8	173.4	0	0	0	114.4	L39 Q48 Y49 P54 V55 L56	L39-L52 HydrophobicContact CD1-CD2 4.17Å; Q48-L52 HydrophobicContact CG-CD1 4.4Å; Q48-L52 PolarHBondContact O-N 2.94Å; Y49-L52 PolarHBondContact O-N 2.99Å; Y49-L52 VanDerWaalsContact O-N 3.15Å; L52-P54 VanDerWaalsContact C-CD 3.5Å; L52-V55 WeakPolarHBondContact O-CA 3.41Å; L52-V55 WeakPolarHBondContact O-CB 3.33Å; L52-V55 PolarHBondContact O-N 3.17Å; L52-L56 HydrophobicContact CB-CD1 4.11Å; L52-L56 HydrophobicContact CB-CG 4.35Å; L52-L56 PolarHBondContact O-N 2.93Å
53	E	93.7	Very high	93.3	Very high	22 Å²	22	73.3 Å²	73.3	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-41.3	-52.4	178	-87.6	174.6	167.3	0	0	114.8	Y49 K50 V55 L56 L57 R85 Y115	Y49-E53 WeakPolarHBondContact O-CG 3.24Å; Y49-E53 PolarHBondContact O-N 2.78Å; K50-E53 IonicContact NZ-OE1 2.69Å; K50-E53 PolarHBondContact NZ-OE1 3.48Å; K50-E53 IonicContact NZ-OE2 3.73Å; E53-V55 PolarHBondContact O-N 3.22Å; E53-L56 PolarHBondContact O-N 3.26Å; E53-L57 WeakPolarHBondContact O-CB 3.42Å; E53-L57 PolarHBondContact O-N 3.25Å; E53-R85 IonicContact OE2-CZ 3.89Å; E53-R85 IonicContact OE2-NE 3.15Å; E53-R85 PolarHBondContact OE2-NE 3.3Å; E53-R85 IonicContact OE2-NH1 2.6Å; E53-R85 IonicContact OE2-NH2 3.4Å; E53-R85 PolarHBondContact OE2-NH2 3.33Å; E53-Y115 HydrophobicContact CG-CE1 4.24Å; E53-Y115 PolarHBondContact OE1-OH 3.38Å
54	P	94.7	Very high	93.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-28.6	-179.7	24.5	-34.3	0	0	0	113.6	L52 L58 R85 I88 S89 L112 L119	L52-P54 VanDerWaalsContact C-CD 3.5Å; P54-L58 WeakPolarHBondContact O-CB 3.43Å; P54-L58 WeakPolarHBondContact O-CG 3.18Å; P54-L58 PolarHBondContact O-N 3.15Å; P54-R85 HydrophobicContact CG-CG 4.31Å; P54-I88 HydrophobicContact CB-CG2 4.5Å; P54-I88 HydrophobicContact CG-CB 4.45Å; P54-I88 HydrophobicContact CG-CG2 4.15Å; P54-S89 VanDerWaalsContact CB-OG 3.32Å; P54-S89 WeakPolarHBondContact CB-OG 3.45Å; P54-L112 HydrophobicContact CB-CD2 4.46Å; P54-L119 HydrophobicContact CB-CD2 4.49Å
55	V	94.2	Very high	93.2	Very high	17 Å²	17	69.5 Å²	69.5	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-76.1	-40.2	176.7	-176.7	0	0	0	0	110.9	I32 L52 E53 G59 K60 F63	I32-V55 HydrophobicContact CD1-CG2 3.94Å; L52-V55 WeakPolarHBondContact O-CA 3.41Å; L52-V55 WeakPolarHBondContact O-CB 3.33Å; L52-V55 PolarHBondContact O-N 3.17Å; E53-V55 PolarHBondContact O-N 3.22Å; V55-G59 CarbonylContact O-C 3.46Å; V55-G59 WeakPolarHBondContact O-CA 3.32Å; V55-G59 PolarHBondContact O-N 2.93Å; V55-G59 VanDerWaalsContact O-N 3.14Å; V55-K60 HydrophobicContact CG1-CG 4.35Å; V55-F63 HydrophobicContact CB-CE2 4.23Å; V55-F63 HydrophobicContact CG1-CD2 4.14Å; V55-F63 HydrophobicContact CG1-CE2 4.35Å; V55-F63 HydrophobicContact CG2-CD2 4.46Å; V55-F63 HydrophobicContact CG2-CE1 4.34Å; V55-F63 HydrophobicContact CG2-CE2 4.14Å; V55-F63 HydrophobicContact CG2-CZ 4.06Å
56	L	94.6	Very high	93.4	Very high	115 Å²	115	60 Å²	60	60%	0.602	31%	0.314	S	S	*	.	H	α-helix	trans	-69.8	-41.9	177.5	-67.4	171.3	0	0	0	111.7	L52 E53	L52-L56 HydrophobicContact CB-CD1 4.11Å; L52-L56 HydrophobicContact CB-CG 4.35Å; L52-L56 PolarHBondContact O-N 2.93Å; E53-L56 PolarHBondContact O-N 3.26Å
57	L	94.6	Very high	93.5	Very high	58 Å²	58	55.1 Å²	55.1	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-40.1	-177.1	-165.2	90.5	0	0	0	112.4	E53 I111 L112 Y115	E53-L57 WeakPolarHBondContact O-CB 3.42Å; E53-L57 PolarHBondContact O-N 3.25Å; L57-I111 HydrophobicContact CD2-CG2 3.59Å; L57-I111 HydrophobicContact CG-CG2 3.83Å; L57-L112 HydrophobicContact CD2-CD2 3.9Å; L57-Y115 HydrophobicContact CD1-CD1 4.15Å; L57-Y115 HydrophobicContact CD1-CD2 3.69Å; L57-Y115 HydrophobicContact CD1-CE2 4.32Å; L57-Y115 HydrophobicContact CD1-CG 3.59Å; L57-Y115 HydrophobicContact CD2-CG 4.32Å
58	L	93.3	Very high	93.6	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-95	-9	-175.6	-63.8	175.2	0	0	0	113.5	P54 R62 F63 L92 I108 I111 L112	P54-L58 WeakPolarHBondContact O-CB 3.43Å; P54-L58 WeakPolarHBondContact O-CG 3.18Å; P54-L58 PolarHBondContact O-N 3.15Å; L58-R62 WeakPolarHBondContact O-CD 3.2Å; L58-F63 HydrophobicContact CB-CE2 4.11Å; L58-F63 HydrophobicContact CD1-CE2 4.32Å; L58-F63 HydrophobicContact CD1-CZ 4.32Å; L58-L92 HydrophobicContact CD1-CD2 3.46Å; L58-L92 VanDerWaalsContact CD1-CD2 3.46Å; L58-I108 HydrophobicContact CD1-CG2 3.78Å; L58-I108 HydrophobicContact CD2-CB 4.36Å; L58-I108 HydrophobicContact CD2-CG1 4.41Å; L58-I108 HydrophobicContact CD2-CG2 3.88Å; L58-I111 HydrophobicContact CD2-CB 4.27Å; L58-I111 HydrophobicContact CD2-CG2 4Å; L58-L112 HydrophobicContact CD1-CD1 4.23Å; L58-L112 HydrophobicContact CD1-CD2 3.99Å; L58-L112 HydrophobicContact CD1-CG 4.2Å; L58-L112 HydrophobicContact CD2-CD2 4.48Å; L58-L112 HydrophobicContact CD2-CG 4.27Å; L58-L112 HydrophobicContact CG-CD2 4.24Å
59	G	92.5	Very high	93.8	Very high	29 Å²	29	57.4 Å²	57.4	30%	0.299	29%	0.287	S	S	.	.			trans	78.6	149.9	-174.3	0	0	0	0	0	113.3	V55 E61 F63	V55-G59 CarbonylContact O-C 3.46Å; V55-G59 WeakPolarHBondContact O-CA 3.32Å; V55-G59 PolarHBondContact O-N 2.93Å; V55-G59 VanDerWaalsContact O-N 3.14Å; G59-E61 PolarHBondContact O-N 2.88Å; G59-F63 WeakPolarHBondContact O-CD2 3.16Å
60	K	91.2	Very high	94	Very high	168 Å²	168	48.9 Å²	48.9	73%	0.73	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.4	-178.5	-68.7	-178.7	179.9	177.4	0	113.1	V55 R62 F63 A64	V55-K60 HydrophobicContact CG1-CG 4.35Å; K60-R62 VanDerWaalsContact C-N 3.32Å; K60-R62 PolarHBondContact O-N 2.82Å; K60-F63 PolarHBondContact O-N 3.31Å; K60-F63 VanDerWaalsContact O-N 3.07Å; K60-A64 PolarHBondContact O-N 2.98Å; K60-A64 VanDerWaalsContact O-N 3.07Å
61	E	92.8	Very high	94.2	Very high	177 Å²	177	51.9 Å²	51.9	83%	0.827	26%	0.263	S	S	*	.	H	α-helix	trans	-58.7	-42.6	-177.9	-63	177.8	-176.4	0	0	112.1	G59 F63 A64	G59-E61 PolarHBondContact O-N 2.88Å; E61-F63 PolarHBondContact O-N 2.96Å; E61-A64 WeakPolarHBondContact O-CB 3.32Å; E61-A64 PolarHBondContact O-N 3.24Å; E61-A64 VanDerWaalsContact O-N 3.15Å
62	R	91.3	Very high	94.4	Very high	55 Å²	55	52.5 Å²	52.5	21%	0.208	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-24.6	178.9	-66.3	-173.3	177	174.6	-2.8	113.1	L58 K60 L92 Y96 E107 I108	L58-R62 WeakPolarHBondContact O-CD 3.2Å; K60-R62 VanDerWaalsContact C-N 3.32Å; K60-R62 PolarHBondContact O-N 2.82Å; R62-L92 HydrophobicContact CB-CD2 4.35Å; R62-Y96 WeakPolarHBondContact CA-OH 3.31Å; R62-Y96 PolarHBondContact O-OH 3.26Å; R62-Y96 VanDerWaalsContact O-OH 3.08Å; R62-E107 IonicContact CZ-OE1 2.63Å; R62-E107 IonicContact NH1-OE1 2.71Å; R62-E107 VanDerWaalsContact NH2-CD 3.26Å; R62-E107 IonicContact NH2-OE1 3.99Å; R62-E107 PolarHBondContact NH2-OE1 3.02Å; R62-E107 IonicContact NH2-OE2 3.28Å; R62-E107 PolarHBondContact NH2-OE2 2.7Å; R62-I108 VanDerWaalsContact NH1-CG1 3.3Å
63	F	92.2	Very high	94.6	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-90.4	-20.6	177.3	-69.8	-87.4	0	0	0	113.1	G30 I32 V55 L58 G59 K60 E61 G65 V66 I68 I88 L92	G30-F63 WeakPolarHBondContact CA-O 3.35Å; I32-F63 HydrophobicContact CD1-CD1 3.97Å; I32-F63 HydrophobicContact CD1-CE1 4.46Å; I32-F63 HydrophobicContact CD1-CG 4.48Å; V55-F63 HydrophobicContact CB-CE2 4.23Å; V55-F63 HydrophobicContact CG1-CD2 4.14Å; V55-F63 HydrophobicContact CG1-CE2 4.35Å; V55-F63 HydrophobicContact CG2-CD2 4.46Å; V55-F63 HydrophobicContact CG2-CE1 4.34Å; V55-F63 HydrophobicContact CG2-CE2 4.14Å; V55-F63 HydrophobicContact CG2-CZ 4.06Å; L58-F63 HydrophobicContact CB-CE2 4.11Å; L58-F63 HydrophobicContact CD1-CE2 4.32Å; L58-F63 HydrophobicContact CD1-CZ 4.32Å; G59-F63 WeakPolarHBondContact O-CD2 3.16Å; K60-F63 PolarHBondContact O-N 3.31Å; K60-F63 VanDerWaalsContact O-N 3.07Å; E61-F63 PolarHBondContact O-N 2.96Å; F63-G65 PolarHBondContact O-N 2.95Å; F63-G65 VanDerWaalsContact O-N 3.11Å; F63-V66 WeakPolarHBondContact O-CG2 3.43Å; F63-V66 PolarHBondContact O-N 3.42Å; F63-I68 HydrophobicContact CD1-CD1 3.89Å; F63-I68 HydrophobicContact CE1-CD1 3.89Å; F63-I88 HydrophobicContact CE1-CG2 3.75Å; F63-I88 HydrophobicContact CZ-CG2 4.15Å; F63-L92 HydrophobicContact CD1-CD1 4.18Å; F63-L92 HydrophobicContact CE1-CB 4.36Å; F63-L92 HydrophobicContact CE1-CD1 4.16Å; F63-L92 HydrophobicContact CE1-CD2 4.15Å; F63-L92 HydrophobicContact CE1-CG 4.47Å; F63-L92 HydrophobicContact CE2-CD2 4.07Å; F63-L92 HydrophobicContact CZ-CD2 3.8Å
64	A	92.3	Very high	94.7	Very high	57 Å²	57	58.9 Å²	58.9	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-29.8	-173.1	0	0	0	0	0	113.8	N29 G30 K60 E61	N29-A64 CarbonylContact C-O 3.53Å; N29-A64 WeakPolarHBondContact CA-O 3.36Å; G30-A64 PolarHBondContact N-O 3.33Å; G30-A64 VanDerWaalsContact N-O 3.09Å; K60-A64 PolarHBondContact O-N 2.98Å; K60-A64 VanDerWaalsContact O-N 3.07Å; E61-A64 WeakPolarHBondContact O-CB 3.32Å; E61-A64 PolarHBondContact O-N 3.24Å; E61-A64 VanDerWaalsContact O-N 3.15Å
65	G	92.4	Very high	94.7	Very high	42 Å²	42	60.7 Å²	60.7	43%	0.433	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.9	177.9	0	0	0	0	0	115.6	G28 F63	G28-G65 PolarHBondContact N-O 3.26Å; G28-G65 CarbonylContact O-C 3.57Å; G28-G65 WeakPolarHBondContact O-CA 3.35Å; F63-G65 PolarHBondContact O-N 2.95Å; F63-G65 VanDerWaalsContact O-N 3.11Å
66	V	95	Very high	94.8	Very high	2 Å²	2	62 Å²	62	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.9	-172.4	-69.9	0	0	0	0	113.3	K26 G30 F63 L92 Y95	K26-V66 CarbonylContact O-C 3.49Å; K26-V66 WeakPolarHBondContact O-CA 3.41Å; G30-V66 WeakPolarHBondContact CA-O 3.29Å; G30-V66 PolarHBondContact N-O 2.82Å; F63-V66 WeakPolarHBondContact O-CG2 3.43Å; F63-V66 PolarHBondContact O-N 3.42Å; V66-L92 HydrophobicContact CG2-CD1 3.9Å; V66-Y95 HydrophobicContact CG1-CD1 3.53Å; V66-Y95 HydrophobicContact CG1-CD2 4.1Å; V66-Y95 HydrophobicContact CG1-CE1 3.42Å; V66-Y95 VanDerWaalsContact CG1-CE1 3.42Å; V66-Y95 HydrophobicContact CG1-CE2 4.02Å; V66-Y95 HydrophobicContact CG1-CG 3.87Å
67	D	96.3	Very high	94.8	Very high	23 Å²	23	62 Å²	62	12%	0.123	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.2	167.4	-68.2	-17.4	0	0	0	109.8	C25 K26 N29 G30 L31	C25-D67 WeakPolarHBondContact CA-O 3.46Å; K26-D67 WeakPolarHBondContact CE-OD2 3.24Å; K26-D67 HydrophobicContact CG-CB 3.96Å; K26-D67 PolarHBondContact N-O 3.39Å; K26-D67 IonicContact NZ-OD2 2.69Å; K26-D67 PolarHBondContact O-N 3.03Å; N29-D67 PolarHBondContact N-OD1 2.94Å; G30-D67 PolarHBondContact N-OD1 3.22Å; L31-D67 HydrophobicContact CB-CB 4.4Å; L31-D67 WeakPolarHBondContact CB-OD1 3.38Å; L31-D67 PolarHBondContact N-OD1 3.11Å; L31-D67 CarbonylContact O-C 3.47Å; L31-D67 WeakPolarHBondContact O-CA 3.3Å
68	I	97	Very high	94.9	Very high	1 Å²	1	63 Å²	63	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.9	179.6	-55.2	175.7	0	0	0	109.5	A23 C25 L31 I32 K33 F63 V70 I88	A23-I68 HydrophobicContact CB-CG2 4.2Å; C25-I68 HydrophobicContact CB-CG1 4.29Å; L31-I68 PolarHBondContact O-N 2.83Å; I32-I68 WeakPolarHBondContact CA-O 3.48Å; I32-I68 HydrophobicContact CG1-CB 4.24Å; I32-I68 HydrophobicContact CG1-CD1 4.49Å; I32-I68 HydrophobicContact CG2-CB 4.17Å; I32-I68 HydrophobicContact CG2-CG2 4.5Å; K33-I68 PolarHBondContact N-O 2.6Å; F63-I68 HydrophobicContact CD1-CD1 3.89Å; F63-I68 HydrophobicContact CE1-CD1 3.89Å; I68-V70 HydrophobicContact CG2-CG2 3.88Å; I68-I88 HydrophobicContact CD1-CG2 4.26Å
69	R	97.3	Very high	95	Very high	129 Å²	129	62.9 Å²	62.9	49%	0.487	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.5	171.5	-169.8	180	-173.1	169.8	5.5	109.7	H24 K33	H24-R69 PolarHBondContact N-O 3.08Å; H24-R69 PolarHBondContact O-N 3.37Å; K33-R69 CarbonylContact O-C 3.54Å; K33-R69 WeakPolarHBondContact O-CA 3.45Å
70	V	97.9	Very high	95.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.1	179.3	-167.3	0	0	0	0	109.9	A21 V22 A23 K33 V34 N35 I68 V72 I84 I88	A21-V70 HydrophobicContact CB-CG1 3.92Å; V22-V70 CarbonylContact O-C 3.39Å; V22-V70 WeakPolarHBondContact O-CA 3.42Å; A23-V70 HydrophobicContact CB-CG2 4.11Å; K33-V70 PolarHBondContact O-N 3.43Å; V34-V70 CarbonylContact C-O 3.1Å; V34-V70 WeakPolarHBondContact CA-O 3.16Å; V34-V70 HydrophobicContact CG1-CB 4.46Å; V34-V70 HydrophobicContact CG2-CB 4.11Å; V34-V70 HydrophobicContact CG2-CG2 4.37Å; N35-V70 PolarHBondContact N-O 2.71Å; I68-V70 HydrophobicContact CG2-CG2 3.88Å; V70-V72 HydrophobicContact CG1-CG2 3.73Å; V70-I84 HydrophobicContact CG1-CG1 4.39Å; V70-I88 HydrophobicContact CG2-CG1 4.25Å
71	R	98.1	Very high	95.5	Very high	130 Å²	130	56 Å²	56	49%	0.491	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.6	168.2	-70.6	-63.2	-165.2	175.1	5.4	109.1	A21 V22 N35	A21-R71 CarbonylContact C-O 3.54Å; A21-R71 WeakPolarHBondContact CA-O 3.4Å; V22-R71 PolarHBondContact N-O 3.31Å; V22-R71 PolarHBondContact O-N 3.14Å; N35-R71 WeakPolarHBondContact OD1-CA 3.31Å
72	V	97.5	Very high	95.7	Very high	15 Å²	15	50.6 Å²	50.6	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.2	-173.6	-171	0	0	0	0	109.8	T20 A21 V34 N35 V70 Q80 I84	T20-V72 WeakPolarHBondContact O-CA 3.49Å; A21-V72 HydrophobicContact CB-CG1 4.4Å; A21-V72 HydrophobicContact CB-CG2 3.9Å; V34-V72 HydrophobicContact CG1-CG2 3.66Å; N35-V72 PolarHBondContact ND2-O 2.8Å; N35-V72 PolarHBondContact OD1-N 2.68Å; V70-V72 HydrophobicContact CG1-CG2 3.73Å; V72-Q80 HydrophobicContact CG1-CB 3.88Å; V72-Q80 HydrophobicContact CG1-CG 3.73Å; V72-I84 HydrophobicContact CG1-CG1 4.46Å; V72-I84 HydrophobicContact CG2-CD1 3.88Å; V72-I84 HydrophobicContact CG2-CG1 3.42Å; V72-I84 VanDerWaalsContact CG2-CG1 3.42Å
73	K	97.3	Very high	96	Very high	168 Å²	168	48 Å²	48	73%	0.73	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.6	176.8	-169.6	176.3	-179.6	-179.1	0	110.5	T20	T20-K73 PolarHBondContact N-O 3.36Å; T20-K73 PolarHBondContact O-N 2.82Å; T20-K73 PolarHBondContact OG1-O 2.96Å
74	G	96.6	Very high	96.2	Very high	33 Å²	33	47.8 Å²	47.8	34%	0.34	27%	0.268	S	S	.	.	S	Bend	trans	81.7	173	174.1	0	0	0	0	0	114.6	A19 Q80	A19-G74 WeakPolarHBondContact CB-O 3.35Å; G74-Q80 VanDerWaalsContact O-CG 3.25Å; G74-Q80 WeakPolarHBondContact O-CG 3.35Å; G74-Q80 PolarHBondContact O-NE2 2.75Å
75	G	95.3	Very high	96.4	Very high	38 Å²	38	45.2 Å²	45.2	39%	0.392	25%	0.246	S	C	.	.	S	Bend	trans	63.2	-165.6	-175.7	0	0	0	0	0	113.8	T18	T18-G75 VanDerWaalsContact OG1-CA 3.27Å; T18-G75 WeakPolarHBondContact OG1-CA 3.47Å; T18-G75 PolarHBondContact OG1-N 3Å
76	G	95.1	Very high	96.7	Very high	43 Å²	43	43.3 Å²	43.3	44%	0.443	23%	0.226	S	C	.	.			trans	-112.7	177.1	171.3	0	0	0	0	0	111.8	V78 A79 Q80	G76-V78 PolarHBondContact O-N 3.01Å; G76-A79 PolarHBondContact O-N 2.92Å; G76-Q80 WeakPolarHBondContact O-CG 3.25Å; G76-Q80 PolarHBondContact O-N 3.2Å
77	H	95.1	Very high	96.8	Very high	115 Å²	115	43.2 Å²	43.2	53%	0.532	23%	0.225	S	C	.	.	H	α-helix	trans	-50.5	-49.3	-170.8	-54.3	140	0	0	0	113.8	A79 Q80 I81	H77-A79 PolarHBondContact O-N 3.34Å; H77-Q80 PolarHBondContact O-N 3.5Å; H77-I81 WeakPolarHBondContact O-CG1 3.15Å; H77-I81 PolarHBondContact O-N 2.63Å
78	V	96.2	Very high	96.8	Very high	79 Å²	79	42.1 Å²	42.1	48%	0.479	22%	0.219	S	C	.	.	H	α-helix	trans	-61	-47.8	179.5	-175.1	0	0	0	0	111.2	L47 G76 Q80 I81 Y82	L47-V78 HydrophobicContact CD1-CB 4.25Å; L47-V78 HydrophobicContact CD1-CG1 4.05Å; L47-V78 HydrophobicContact CD1-CG2 3.82Å; G76-V78 PolarHBondContact O-N 3.01Å; V78-Q80 VanDerWaalsContact C-N 3.29Å; V78-Q80 PolarHBondContact O-N 3.29Å; V78-I81 PolarHBondContact O-N 2.71Å; V78-Y82 HydrophobicContact CG1-CD2 4.05Å; V78-Y82 HydrophobicContact CG1-CE2 3.88Å; V78-Y82 VanDerWaalsContact O-CD2 3.31Å; V78-Y82 WeakPolarHBondContact O-CD2 3.41Å; V78-Y82 PolarHBondContact O-N 2.84Å
79	A	96.6	Very high	96.8	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-38.2	-179.7	0	0	0	0	0	111.7	K16 K17 A19 G76 H77 Y82 A83	K16-A79 HydrophobicContact CB-CB 4.42Å; K16-A79 WeakPolarHBondContact CB-O 3.41Å; K16-A79 HydrophobicContact CG-CB 4.19Å; K17-A79 HydrophobicContact CB-CB 4.42Å; A19-A79 HydrophobicContact CB-CB 3.89Å; G76-A79 PolarHBondContact O-N 2.92Å; H77-A79 PolarHBondContact O-N 3.34Å; A79-Y82 PolarHBondContact O-N 3.27Å; A79-A83 WeakPolarHBondContact O-CB 3.32Å; A79-A83 PolarHBondContact O-N 3.46Å
80	Q	96.8	Very high	96.9	Very high	51 Å²	51	37.8 Å²	37.8	24%	0.238	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-43.5	175.5	-70.8	-179.6	-0.3	0	0	111.9	A19 V72 G74 G76 H77 V78 Y82 A83 I84	A19-Q80 HydrophobicContact CB-CB 4.5Å; A19-Q80 HydrophobicContact CB-CG 3.88Å; V72-Q80 HydrophobicContact CG1-CB 3.88Å; V72-Q80 HydrophobicContact CG1-CG 3.73Å; G74-Q80 VanDerWaalsContact O-CG 3.25Å; G74-Q80 WeakPolarHBondContact O-CG 3.35Å; G74-Q80 PolarHBondContact O-NE2 2.75Å; G76-Q80 WeakPolarHBondContact O-CG 3.25Å; G76-Q80 PolarHBondContact O-N 3.2Å; H77-Q80 PolarHBondContact O-N 3.5Å; V78-Q80 VanDerWaalsContact C-N 3.29Å; V78-Q80 PolarHBondContact O-N 3.29Å; Q80-Y82 PolarHBondContact O-N 3.49Å; Q80-A83 PolarHBondContact O-N 3.01Å; Q80-A83 VanDerWaalsContact O-N 3.15Å; Q80-I84 WeakPolarHBondContact O-CD1 3.49Å; Q80-I84 VanDerWaalsContact O-CG1 3.24Å; Q80-I84 WeakPolarHBondContact O-CG1 3.38Å; Q80-I84 PolarHBondContact O-N 3.43Å
81	I	96.6	Very high	96.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-49.5	176.7	-74	177.9	0	0	0	111.6	I42 P44 L47 K50 L51 H77 V78 A83 I84 R85	I42-I81 HydrophobicContact CG2-CG1 4.41Å; P44-I81 HydrophobicContact CG-CD1 4.36Å; L47-I81 HydrophobicContact CB-CD1 3.4Å; L47-I81 VanDerWaalsContact CB-CD1 3.4Å; L47-I81 HydrophobicContact CB-CG2 4.39Å; L47-I81 HydrophobicContact CD1-CD1 3.96Å; L47-I81 HydrophobicContact CG-CD1 4.34Å; K50-I81 HydrophobicContact CB-CG2 4.18Å; L51-I81 HydrophobicContact CB-CG2 4.24Å; L51-I81 HydrophobicContact CD1-CG1 4.48Å; H77-I81 WeakPolarHBondContact O-CG1 3.15Å; H77-I81 PolarHBondContact O-N 2.63Å; V78-I81 PolarHBondContact O-N 2.71Å; I81-A83 VanDerWaalsContact C-N 3.3Å; I81-A83 PolarHBondContact O-N 3.45Å; I81-I84 PolarHBondContact O-N 3.14Å; I81-R85 VanDerWaalsContact O-CB 3.29Å; I81-R85 WeakPolarHBondContact O-CB 3.26Å; I81-R85 PolarHBondContact O-N 3.25Å
82	Y	97.2	Very high	96.7	Very high	63 Å²	63	31.6 Å²	31.6	25%	0.247	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-36.4	177.4	-80.8	-88.9	0	0	0	112.3	V78 A79 Q80 Q86	V78-Y82 HydrophobicContact CG1-CD2 4.05Å; V78-Y82 HydrophobicContact CG1-CE2 3.88Å; V78-Y82 VanDerWaalsContact O-CD2 3.31Å; V78-Y82 WeakPolarHBondContact O-CD2 3.41Å; V78-Y82 PolarHBondContact O-N 2.84Å; A79-Y82 PolarHBondContact O-N 3.27Å; Q80-Y82 PolarHBondContact O-N 3.49Å; Y82-Q86 WeakPolarHBondContact O-CB 3.47Å; Y82-Q86 PolarHBondContact O-N 3.15Å
83	A	97.6	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-41.7	175.6	0	0	0	0	0	111.9	K16 A19 A21 A79 Q80 I81 Q86 S87	K16-A83 HydrophobicContact CB-CB 4.43Å; A19-A83 HydrophobicContact CB-CB 4.22Å; A21-A83 VanDerWaalsContact CB-C 3.49Å; A21-A83 HydrophobicContact CB-CB 3.81Å; A21-A83 WeakPolarHBondContact CB-O 3.43Å; A79-A83 WeakPolarHBondContact O-CB 3.32Å; A79-A83 PolarHBondContact O-N 3.46Å; Q80-A83 PolarHBondContact O-N 3.01Å; Q80-A83 VanDerWaalsContact O-N 3.15Å; I81-A83 VanDerWaalsContact C-N 3.3Å; I81-A83 PolarHBondContact O-N 3.45Å; A83-Q86 PolarHBondContact O-N 3.08Å; A83-S87 WeakPolarHBondContact O-CB 3.46Å; A83-S87 PolarHBondContact O-N 3.46Å; A83-S87 PolarHBondContact O-OG 3.47Å
84	I	97.1	Very high	96.7	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-53.2	176	-67.1	156.9	0	0	0	110.1	A21 V34 I42 L51 V70 V72 Q80 I81 Q86 S87 I88	A21-I84 HydrophobicContact CB-CG1 4.31Å; V34-I84 HydrophobicContact CG1-CD1 3.75Å; V34-I84 HydrophobicContact CG1-CG1 4.15Å; V34-I84 HydrophobicContact CG2-CD1 4.47Å; V34-I84 HydrophobicContact CG2-CG2 3.93Å; I42-I84 HydrophobicContact CD1-CD1 4.43Å; L51-I84 HydrophobicContact CD1-CB 4.19Å; L51-I84 HydrophobicContact CD1-CD1 3.99Å; L51-I84 HydrophobicContact CD1-CG2 3.8Å; L51-I84 HydrophobicContact CG-CG2 4.27Å; V70-I84 HydrophobicContact CG1-CG1 4.39Å; V72-I84 HydrophobicContact CG1-CG1 4.46Å; V72-I84 HydrophobicContact CG2-CD1 3.88Å; V72-I84 HydrophobicContact CG2-CG1 3.42Å; V72-I84 VanDerWaalsContact CG2-CG1 3.42Å; Q80-I84 WeakPolarHBondContact O-CD1 3.49Å; Q80-I84 VanDerWaalsContact O-CG1 3.24Å; Q80-I84 WeakPolarHBondContact O-CG1 3.38Å; Q80-I84 PolarHBondContact O-N 3.43Å; I81-I84 PolarHBondContact O-N 3.14Å; I84-Q86 PolarHBondContact O-N 3.43Å; I84-S87 WeakPolarHBondContact CA-OG 3.33Å; I84-S87 WeakPolarHBondContact O-CA 3.5Å; I84-S87 PolarHBondContact O-N 3.06Å; I84-S87 PolarHBondContact O-OG 2.93Å; I84-I88 HydrophobicContact CG2-CD1 3.7Å; I84-I88 HydrophobicContact CG2-CG1 4.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.25Å; I84-I88 PolarHBondContact O-N 2.83Å
85	R	96.3	Very high	96.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-50.2	-46.8	177	-177.1	-162.3	-179.3	-137.6	-4.2	111.4	K50 E53 P54 I81 S89 D116 T118 L119	K50-R85 WeakPolarHBondContact O-CD 3.18Å; K50-R85 VanDerWaalsContact O-CG 3.25Å; K50-R85 WeakPolarHBondContact O-CG 3.11Å; K50-R85 PolarHBondContact O-NE 3.16Å; E53-R85 IonicContact OE2-CZ 3.89Å; E53-R85 IonicContact OE2-NE 3.15Å; E53-R85 PolarHBondContact OE2-NE 3.3Å; E53-R85 IonicContact OE2-NH1 2.6Å; E53-R85 IonicContact OE2-NH2 3.4Å; E53-R85 PolarHBondContact OE2-NH2 3.33Å; P54-R85 HydrophobicContact CG-CG 4.31Å; I81-R85 VanDerWaalsContact O-CB 3.29Å; I81-R85 WeakPolarHBondContact O-CB 3.26Å; I81-R85 PolarHBondContact O-N 3.25Å; R85-S89 PolarHBondContact O-N 2.96Å; R85-S89 PolarHBondContact O-OG 2.9Å; R85-D116 IonicContact CZ-OD2 3.02Å; R85-D116 VanDerWaalsContact CZ-OD2 3.23Å; R85-D116 IonicContact NH1-OD2 3.6Å; R85-D116 PolarHBondContact NH1-OD2 3.15Å; R85-D116 IonicContact NH2-OD2 3.03Å; R85-D116 PolarHBondContact NH2-OD2 2.79Å; R85-T118 PolarHBondContact NH1-OG1 3.31Å; R85-L119 HydrophobicContact CG-CD2 3.48Å; R85-L119 VanDerWaalsContact CG-CD2 3.48Å; R85-L119 VanDerWaalsContact CZ-CD2 3.4Å
86	Q	97.7	Very high	96.7	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-65	-43.3	176.2	-169.7	-174.3	12.5	0	0	112.3	R15 Y82 A83 I84 I88 S89 K90 L119 L120	R15-Q86 PolarHBondContact O-OE1 3.34Å; Y82-Q86 WeakPolarHBondContact O-CB 3.47Å; Y82-Q86 PolarHBondContact O-N 3.15Å; A83-Q86 PolarHBondContact O-N 3.08Å; I84-Q86 PolarHBondContact O-N 3.43Å; Q86-I88 PolarHBondContact O-N 3.09Å; Q86-S89 PolarHBondContact O-N 3.17Å; Q86-K90 HydrophobicContact CG-CD 4.37Å; Q86-K90 VanDerWaalsContact NE2-CE 3.25Å; Q86-K90 WeakPolarHBondContact O-CB 3.32Å; Q86-K90 WeakPolarHBondContact O-CG 3.35Å; Q86-K90 PolarHBondContact O-N 3.11Å; Q86-L119 WeakPolarHBondContact CA-O 3.35Å; Q86-L119 VanDerWaalsContact CG-O 3.28Å; Q86-L119 WeakPolarHBondContact CG-O 3.45Å; Q86-L120 PolarHBondContact NE2-O 3.08Å; Q86-L120 VanDerWaalsContact NE2-O 3.11Å
87	S	97.5	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-38.6	-178.6	72.6	0	0	0	0	112.9	A83 I84 A91	A83-S87 WeakPolarHBondContact O-CB 3.46Å; A83-S87 PolarHBondContact O-N 3.46Å; A83-S87 PolarHBondContact O-OG 3.47Å; I84-S87 WeakPolarHBondContact CA-OG 3.33Å; I84-S87 WeakPolarHBondContact O-CA 3.5Å; I84-S87 PolarHBondContact O-N 3.06Å; I84-S87 PolarHBondContact O-OG 2.93Å; S87-A91 WeakPolarHBondContact O-CB 3.29Å; S87-A91 PolarHBondContact O-N 2.83Å
88	I	96.7	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-47.9	176.6	-68	171	0	0	0	110	I32 L39 P54 F63 I68 V70 I84 Q86 K90 A91 L92	I32-I88 HydrophobicContact CG2-CD1 4.21Å; L39-I88 HydrophobicContact CD2-CD1 3.92Å; P54-I88 HydrophobicContact CB-CG2 4.5Å; P54-I88 HydrophobicContact CG-CB 4.45Å; P54-I88 HydrophobicContact CG-CG2 4.15Å; F63-I88 HydrophobicContact CE1-CG2 3.75Å; F63-I88 HydrophobicContact CZ-CG2 4.15Å; I68-I88 HydrophobicContact CD1-CG2 4.26Å; V70-I88 HydrophobicContact CG2-CG1 4.25Å; I84-I88 HydrophobicContact CG2-CD1 3.7Å; I84-I88 HydrophobicContact CG2-CG1 4.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.25Å; I84-I88 PolarHBondContact O-N 2.83Å; Q86-I88 PolarHBondContact O-N 3.09Å; I88-K90 PolarHBondContact O-N 3.38Å; I88-A91 WeakPolarHBondContact O-CB 3.38Å; I88-A91 PolarHBondContact O-N 3.04Å; I88-L92 PolarHBondContact O-N 2.78Å; I88-L92 VanDerWaalsContact O-N 3.14Å
89	S	97.2	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-48.3	179.9	-51.8	0	0	0	0	111.7	P54 R85 Q86 A91 L92 V93 L119	P54-S89 VanDerWaalsContact CB-OG 3.32Å; P54-S89 WeakPolarHBondContact CB-OG 3.45Å; R85-S89 PolarHBondContact O-N 2.96Å; R85-S89 PolarHBondContact O-OG 2.9Å; Q86-S89 PolarHBondContact O-N 3.17Å; S89-A91 VanDerWaalsContact C-N 3.34Å; S89-A91 PolarHBondContact O-N 3.04Å; S89-L92 PolarHBondContact O-N 3.15Å; S89-V93 WeakPolarHBondContact O-CG2 3.41Å; S89-V93 PolarHBondContact O-N 3.27Å; S89-L119 VanDerWaalsContact CB-O 3.29Å; S89-L119 WeakPolarHBondContact CB-O 3.25Å; S89-L119 WeakPolarHBondContact OG-CD2 3.37Å
90	K	97.8	Very high	96.6	Very high	39 Å²	39	30.3 Å²	30.3	17%	0.17	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-38.7	176.6	-75.2	-176.3	180	179.1	0	113	V12 F13 Q86 I88 L92 V93 A94 L120	V12-K90 HydrophobicContact CB-CB 4.26Å; V12-K90 HydrophobicContact CG1-CB 3.76Å; V12-K90 HydrophobicContact CG1-CD 3.96Å; V12-K90 HydrophobicContact CG1-CG 4.5Å; F13-K90 VanDerWaalsContact O-CD 3.26Å; F13-K90 WeakPolarHBondContact O-CD 2.79Å; F13-K90 PolarHBondContact O-NZ 2.93Å; Q86-K90 HydrophobicContact CG-CD 4.37Å; Q86-K90 VanDerWaalsContact NE2-CE 3.25Å; Q86-K90 WeakPolarHBondContact O-CB 3.32Å; Q86-K90 WeakPolarHBondContact O-CG 3.35Å; Q86-K90 PolarHBondContact O-N 3.11Å; I88-K90 PolarHBondContact O-N 3.38Å; K90-L92 VanDerWaalsContact C-N 3.33Å; K90-L92 PolarHBondContact O-N 3.39Å; K90-V93 PolarHBondContact O-N 3.14Å; K90-A94 VanDerWaalsContact O-CB 3.24Å; K90-A94 WeakPolarHBondContact O-CB 3.49Å; K90-A94 PolarHBondContact O-N 2.86Å; K90-L120 WeakPolarHBondContact CE-O 3.47Å; K90-L120 HydrophobicContact CG-CD2 4.05Å
91	A	97	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-44.8	-179.8	0	0	0	0	0	111.3	V12 A23 C25 S87 I88 S89 Y95	V12-A91 HydrophobicContact CG2-CB 4.45Å; A23-A91 HydrophobicContact CB-CB 4.01Å; C25-A91 HydrophobicContact CB-CB 4.02Å; S87-A91 WeakPolarHBondContact O-CB 3.29Å; S87-A91 PolarHBondContact O-N 2.83Å; I88-A91 WeakPolarHBondContact O-CB 3.38Å; I88-A91 PolarHBondContact O-N 3.04Å; S89-A91 VanDerWaalsContact C-N 3.34Å; S89-A91 PolarHBondContact O-N 3.04Å; A91-Y95 WeakPolarHBondContact O-CB 3.28Å; A91-Y95 PolarHBondContact O-N 2.98Å
92	L	96.2	Very high	96.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-48.8	178	-167	75.7	0	0	0	111.8	L58 R62 F63 V66 I88 S89 K90 A94 Y95 Y96 I108	L58-L92 HydrophobicContact CD1-CD2 3.46Å; L58-L92 VanDerWaalsContact CD1-CD2 3.46Å; R62-L92 HydrophobicContact CB-CD2 4.35Å; F63-L92 HydrophobicContact CD1-CD1 4.18Å; F63-L92 HydrophobicContact CE1-CB 4.36Å; F63-L92 HydrophobicContact CE1-CD1 4.16Å; F63-L92 HydrophobicContact CE1-CD2 4.15Å; F63-L92 HydrophobicContact CE1-CG 4.47Å; F63-L92 HydrophobicContact CE2-CD2 4.07Å; F63-L92 HydrophobicContact CZ-CD2 3.8Å; V66-L92 HydrophobicContact CG2-CD1 3.9Å; I88-L92 PolarHBondContact O-N 2.78Å; I88-L92 VanDerWaalsContact O-N 3.14Å; S89-L92 PolarHBondContact O-N 3.15Å; K90-L92 VanDerWaalsContact C-N 3.33Å; K90-L92 PolarHBondContact O-N 3.39Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 PolarHBondContact O-N 3.19Å; L92-Y95 PolarHBondContact O-N 3.5Å; L92-Y96 HydrophobicContact CD1-CD2 4.06Å; L92-Y96 HydrophobicContact CD1-CE2 3.59Å; L92-Y96 HydrophobicContact CG-CD2 4.05Å; L92-Y96 HydrophobicContact CG-CE2 3.95Å; L92-Y96 WeakPolarHBondContact O-CD2 3.34Å; L92-Y96 PolarHBondContact O-N 3.42Å; L92-I108 HydrophobicContact CD2-CD1 4.28Å; L92-I108 HydrophobicContact CD2-CG2 4.24Å
93	V	97.1	Very high	96.4	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.085	19%	0.187	C	C	.	.	H	α-helix	trans	-56.8	-45.3	178	170.1	0	0	0	0	111.3	S89 K90 Y96 Q97 K105 I108 L112 L120	S89-V93 WeakPolarHBondContact O-CG2 3.41Å; S89-V93 PolarHBondContact O-N 3.27Å; K90-V93 PolarHBondContact O-N 3.14Å; V93-Y96 PolarHBondContact O-N 3.11Å; V93-Q97 WeakPolarHBondContact O-CB 3.26Å; V93-Q97 PolarHBondContact O-N 3.46Å; V93-K105 HydrophobicContact CG1-CG 4.07Å; V93-I108 HydrophobicContact CG2-CG2 3.74Å; V93-L112 HydrophobicContact CG2-CD1 3.78Å; V93-L120 HydrophobicContact CG2-CD2 3.99Å
94	A	97.2	Very high	96.3	Very high	23 Å²	23	38 Å²	38	19%	0.19	20%	0.199	C	C	.	.	H	α-helix	trans	-71.1	-31.4	-179	0	0	0	0	0	112.7	V10 V12 K90 L92 K98	V10-A94 HydrophobicContact CG1-CB 3.67Å; V12-A94 HydrophobicContact CG2-CB 3.89Å; K90-A94 VanDerWaalsContact O-CB 3.24Å; K90-A94 WeakPolarHBondContact O-CB 3.49Å; K90-A94 PolarHBondContact O-N 2.86Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 PolarHBondContact O-N 3.19Å; A94-K98 WeakPolarHBondContact O-CB 3.48Å; A94-K98 PolarHBondContact O-N 3.5Å
95	Y	96.7	Very high	96.2	Very high	16 Å²	16	38.8 Å²	38.8	6%	0.063	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-48.4	173.3	-173.2	-90.5	0	0	0	111.4	V10 V66 A91 L92 Q97 K98 Y99 V100	V10-Y95 HydrophobicContact CG2-CD2 4.23Å; V66-Y95 HydrophobicContact CG1-CD1 3.53Å; V66-Y95 HydrophobicContact CG1-CD2 4.1Å; V66-Y95 HydrophobicContact CG1-CE1 3.42Å; V66-Y95 VanDerWaalsContact CG1-CE1 3.42Å; V66-Y95 HydrophobicContact CG1-CE2 4.02Å; V66-Y95 HydrophobicContact CG1-CG 3.87Å; A91-Y95 WeakPolarHBondContact O-CB 3.28Å; A91-Y95 PolarHBondContact O-N 2.98Å; L92-Y95 PolarHBondContact O-N 3.5Å; Y95-Q97 VanDerWaalsContact C-N 3.34Å; Y95-Q97 PolarHBondContact O-N 2.92Å; Y95-K98 PolarHBondContact O-N 3.26Å; Y95-Y99 AromaticContact CD2-CD2 3.65Å; Y95-Y99 HydrophobicContact CD2-CD2 3.65Å; Y95-Y99 HydrophobicContact CD2-CE2 4.17Å; Y95-Y99 AromaticContact CE2-CD2 3.55Å; Y95-Y99 HydrophobicContact CE2-CD2 3.55Å; Y95-Y99 HydrophobicContact CE2-CE2 4.11Å; Y95-Y99 HydrophobicContact CE2-CG 4.38Å; Y95-Y99 HydrophobicContact CG-CD2 4.22Å; Y95-Y99 PolarHBondContact O-N 3.22Å; Y95-V100 HydrophobicContact CD1-CG2 4.38Å; Y95-V100 HydrophobicContact CE1-CG2 4.29Å
96	Y	95.9	Very high	96.3	Very high	36 Å²	36	44.8 Å²	44.8	14%	0.141	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-41	179.1	-84.5	-117.9	0	0	0	111.6	R62 L92 V93 K98 V100 D101 I108	R62-Y96 WeakPolarHBondContact CA-OH 3.31Å; R62-Y96 PolarHBondContact O-OH 3.26Å; R62-Y96 VanDerWaalsContact O-OH 3.08Å; L92-Y96 HydrophobicContact CD1-CD2 4.06Å; L92-Y96 HydrophobicContact CD1-CE2 3.59Å; L92-Y96 HydrophobicContact CG-CD2 4.05Å; L92-Y96 HydrophobicContact CG-CE2 3.95Å; L92-Y96 WeakPolarHBondContact O-CD2 3.34Å; L92-Y96 PolarHBondContact O-N 3.42Å; V93-Y96 PolarHBondContact O-N 3.11Å; Y96-K98 PolarHBondContact O-N 3.44Å; Y96-V100 HydrophobicContact CD1-CB 4.01Å; Y96-V100 HydrophobicContact CD1-CG1 4.11Å; Y96-V100 HydrophobicContact CD1-CG2 4.06Å; Y96-V100 HydrophobicContact CD2-CG2 4.28Å; Y96-V100 HydrophobicContact CE1-CG1 4.33Å; Y96-V100 HydrophobicContact CE1-CG2 4.4Å; Y96-V100 HydrophobicContact CG-CB 4.24Å; Y96-V100 HydrophobicContact CG-CG2 4.02Å; Y96-V100 PolarHBondContact O-N 3.03Å; Y96-V100 VanDerWaalsContact O-N 3.08Å; Y96-D101 PolarHBondContact O-N 2.91Å; Y96-I108 HydrophobicContact CD1-CD1 3.47Å; Y96-I108 VanDerWaalsContact CD1-CD1 3.47Å; Y96-I108 HydrophobicContact CD2-CD1 4.11Å; Y96-I108 HydrophobicContact CE1-CD1 3.6Å; Y96-I108 HydrophobicContact CE2-CD1 4.24Å; Y96-I108 HydrophobicContact CG-CD1 3.72Å
97	Q	96.1	Very high	96.2	Very high	109 Å²	109	49.2 Å²	49.2	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-57	-36.3	175.2	-171	170.2	-4.8	0	0	113.1	V93 Y95 K105	V93-Q97 WeakPolarHBondContact O-CB 3.26Å; V93-Q97 PolarHBondContact O-N 3.46Å; Y95-Q97 VanDerWaalsContact C-N 3.34Å; Y95-Q97 PolarHBondContact O-N 2.92Å; Q97-K105 HydrophobicContact CB-CD 4.42Å; Q97-K105 HydrophobicContact CB-CG 4.01Å; Q97-K105 HydrophobicContact CG-CD 4.5Å
98	K	95.8	Very high	96.2	Very high	133 Å²	133	49.2 Å²	49.2	58%	0.578	25%	0.249	S	C	*	.	H	α-helix	trans	-93.6	-32.3	-172.2	-167.9	175.5	178.3	-166	0	113.5	V10 A94 Y95 Y96	V10-K98 HydrophobicContact CG2-CD 4.17Å; A94-K98 WeakPolarHBondContact O-CB 3.48Å; A94-K98 PolarHBondContact O-N 3.5Å; Y95-K98 PolarHBondContact O-N 3.26Å; Y96-K98 PolarHBondContact O-N 3.44Å
99	Y	94.7	Very high	96.2	Very high	67 Å²	67	53.3 Å²	53.3	26%	0.263	27%	0.267	S	S	.	.	H	α-helix	trans	-128.1	-7.4	-166.1	-60.3	-60.9	0	0	0	115.5	Q8 S9 V10 Y95	Q8-Y99 HydrophobicContact CB-CD1 4.25Å; Q8-Y99 HydrophobicContact CB-CD2 4.39Å; Q8-Y99 HydrophobicContact CB-CE1 3.99Å; Q8-Y99 HydrophobicContact CB-CE2 4.13Å; Q8-Y99 HydrophobicContact CB-CG 4.44Å; Q8-Y99 HydrophobicContact CG-CD1 3.97Å; Q8-Y99 HydrophobicContact CG-CE1 3.79Å; S9-Y99 PolarHBondContact N-OH 2.91Å; S9-Y99 PolarHBondContact O-OH 2.96Å; V10-Y99 HydrophobicContact CG2-CD2 4.18Å; V10-Y99 HydrophobicContact CG2-CE2 3.65Å; Y95-Y99 AromaticContact CD2-CD2 3.65Å; Y95-Y99 HydrophobicContact CD2-CD2 3.65Å; Y95-Y99 HydrophobicContact CD2-CE2 4.17Å; Y95-Y99 AromaticContact CE2-CD2 3.55Å; Y95-Y99 HydrophobicContact CE2-CD2 3.55Å; Y95-Y99 HydrophobicContact CE2-CE2 4.11Å; Y95-Y99 HydrophobicContact CE2-CG 4.38Å; Y95-Y99 HydrophobicContact CG-CD2 4.22Å; Y95-Y99 PolarHBondContact O-N 3.22Å
100	V	92.9	Very high	96.2	Very high	76 Å²	76	57 Å²	57	46%	0.461	29%	0.287	S	S	.	.	S	Bend	trans	-116	-89.9	-178.4	-168.4	0	0	0	0	109.3	Y95 Y96	Y95-V100 HydrophobicContact CD1-CG2 4.38Å; Y95-V100 HydrophobicContact CE1-CG2 4.29Å; Y96-V100 HydrophobicContact CD1-CB 4.01Å; Y96-V100 HydrophobicContact CD1-CG1 4.11Å; Y96-V100 HydrophobicContact CD1-CG2 4.06Å; Y96-V100 HydrophobicContact CD2-CG2 4.28Å; Y96-V100 HydrophobicContact CE1-CG1 4.33Å; Y96-V100 HydrophobicContact CE1-CG2 4.4Å; Y96-V100 HydrophobicContact CG-CB 4.24Å; Y96-V100 HydrophobicContact CG-CG2 4.02Å; Y96-V100 PolarHBondContact O-N 3.03Å; Y96-V100 VanDerWaalsContact O-N 3.08Å
101	D	94.6	Very high	96.1	Very high	61 Å²	61	57.7 Å²	57.7	33%	0.326	29%	0.291	S	S	.	.			trans	-164.8	160.4	177.3	71.1	-80.5	0	0	0	111	Y96 A103 S104 K105	Y96-D101 PolarHBondContact O-N 2.91Å; D101-A103 WeakPolarHBondContact OD2-CA 3.37Å; D101-A103 WeakPolarHBondContact OD2-CB 3.29Å; D101-A103 PolarHBondContact OD2-N 3.45Å; D101-S104 VanDerWaalsContact CG-OG 3.27Å; D101-S104 WeakPolarHBondContact OD1-CB 3.44Å; D101-S104 PolarHBondContact OD1-OG 2.69Å; D101-S104 PolarHBondContact OD2-N 2.84Å; D101-S104 PolarHBondContact OD2-OG 2.84Å; D101-K105 WeakPolarHBondContact O-CB 3.48Å; D101-K105 PolarHBondContact O-N 2.82Å
102	E	95.7	Very high	96.1	Very high	108 Å²	108	57.7 Å²	57.7	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-75.8	-25.9	-176.6	-174.1	64.2	-161.7	0	0	112.7	K105 K106	E102-K105 VanDerWaalsContact CD-NZ 3.28Å; E102-K105 IonicContact OE1-NZ 3.98Å; E102-K105 PolarHBondContact OE1-NZ 3.43Å; E102-K105 IonicContact OE2-NZ 2.7Å; E102-K105 PolarHBondContact OE2-NZ 3.22Å; E102-K105 VanDerWaalsContact OE2-NZ 3.15Å; E102-K106 WeakPolarHBondContact O-CB 3.37Å; E102-K106 PolarHBondContact O-N 2.85Å
103	A	96.8	Very high	96.1	Very high	72 Å²	72	61.2 Å²	61.2	60%	0.595	31%	0.31	S	S	*	.	H	α-helix	trans	-72.4	-50.8	-178.9	0	0	0	0	0	111.2	D101 K105 K106 E107	D101-A103 WeakPolarHBondContact OD2-CA 3.37Å; D101-A103 WeakPolarHBondContact OD2-CB 3.29Å; D101-A103 PolarHBondContact OD2-N 3.45Å; A103-K105 PolarHBondContact O-N 2.91Å; A103-K106 WeakPolarHBondContact O-CB 3.24Å; A103-K106 PolarHBondContact O-N 3.24Å; A103-E107 PolarHBondContact O-N 2.91Å
104	S	95	Very high	96	Very high	37 Å²	37	68.8 Å²	68.8	26%	0.259	34%	0.344	S	S	.	.	H	α-helix	trans	-58.5	-39.2	173.9	-59.6	0	0	0	0	111.4	D101 E107 I108	D101-S104 VanDerWaalsContact CG-OG 3.27Å; D101-S104 WeakPolarHBondContact OD1-CB 3.44Å; D101-S104 PolarHBondContact OD1-OG 2.69Å; D101-S104 PolarHBondContact OD2-N 2.84Å; D101-S104 PolarHBondContact OD2-OG 2.84Å; S104-E107 PolarHBondContact O-N 2.79Å; S104-I108 VanDerWaalsContact O-CG1 3.29Å; S104-I108 WeakPolarHBondContact O-CG1 3.41Å; S104-I108 PolarHBondContact O-N 3.39Å
105	K	96.4	Very high	96	Very high	18 Å²	18	73.3 Å²	73.3	8%	0.078	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-42.4	174.5	169.6	-102.1	-169.7	148.6	0	112	V93 Q97 D101 E102 A103 K109	V93-K105 HydrophobicContact CG1-CG 4.07Å; Q97-K105 HydrophobicContact CB-CD 4.42Å; Q97-K105 HydrophobicContact CB-CG 4.01Å; Q97-K105 HydrophobicContact CG-CD 4.5Å; D101-K105 WeakPolarHBondContact O-CB 3.48Å; D101-K105 PolarHBondContact O-N 2.82Å; E102-K105 VanDerWaalsContact CD-NZ 3.28Å; E102-K105 IonicContact OE1-NZ 3.98Å; E102-K105 PolarHBondContact OE1-NZ 3.43Å; E102-K105 IonicContact OE2-NZ 2.7Å; E102-K105 PolarHBondContact OE2-NZ 3.22Å; E102-K105 VanDerWaalsContact OE2-NZ 3.15Å; A103-K105 PolarHBondContact O-N 2.91Å; K105-K109 VanDerWaalsContact O-CB 3.23Å; K105-K109 WeakPolarHBondContact O-CB 3.45Å; K105-K109 PolarHBondContact O-N 3.02Å
106	K	97.1	Very high	96	Very high	128 Å²	128	74.5 Å²	74.5	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-62.7	-45	177.3	-173.8	179.4	176.6	-172.4	0	110.5	E102 A103 I108 K109 D110	E102-K106 WeakPolarHBondContact O-CB 3.37Å; E102-K106 PolarHBondContact O-N 2.85Å; A103-K106 WeakPolarHBondContact O-CB 3.24Å; A103-K106 PolarHBondContact O-N 3.24Å; K106-I108 PolarHBondContact O-N 2.69Å; K106-K109 WeakPolarHBondContact O-CB 3.41Å; K106-K109 PolarHBondContact O-N 3.01Å; K106-D110 WeakPolarHBondContact O-CB 3.3Å; K106-D110 PolarHBondContact O-N 3.2Å
107	E	96.3	Very high	96	Very high	96 Å²	96	80.9 Å²	80.9	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-58.1	-51.2	176.6	-163.8	-157.3	144.8	0	0	112.2	R62 A103 S104 K109 D110 I111	R62-E107 IonicContact CZ-OE1 2.63Å; R62-E107 IonicContact NH1-OE1 2.71Å; R62-E107 VanDerWaalsContact NH2-CD 3.26Å; R62-E107 IonicContact NH2-OE1 3.99Å; R62-E107 PolarHBondContact NH2-OE1 3.02Å; R62-E107 IonicContact NH2-OE2 3.28Å; R62-E107 PolarHBondContact NH2-OE2 2.7Å; A103-E107 PolarHBondContact O-N 2.91Å; S104-E107 PolarHBondContact O-N 2.79Å; E107-K109 VanDerWaalsContact C-N 3.28Å; E107-K109 PolarHBondContact O-N 2.78Å; E107-D110 PolarHBondContact O-N 2.79Å; E107-I111 HydrophobicContact CG-CD1 4.13Å; E107-I111 WeakPolarHBondContact O-CD1 3.44Å; E107-I111 VanDerWaalsContact O-CG1 3.3Å; E107-I111 WeakPolarHBondContact O-CG1 3.4Å; E107-I111 PolarHBondContact O-N 2.91Å
108	I	96.4	Very high	96	Very high	1 Å²	1	77.9 Å²	77.9	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-57	-44.7	176.1	-69.8	166.1	0	0	0	110.8	L58 R62 L92 V93 Y96 S104 K106 L112	L58-I108 HydrophobicContact CD1-CG2 3.78Å; L58-I108 HydrophobicContact CD2-CB 4.36Å; L58-I108 HydrophobicContact CD2-CG1 4.41Å; L58-I108 HydrophobicContact CD2-CG2 3.88Å; R62-I108 VanDerWaalsContact NH1-CG1 3.3Å; L92-I108 HydrophobicContact CD2-CD1 4.28Å; L92-I108 HydrophobicContact CD2-CG2 4.24Å; V93-I108 HydrophobicContact CG2-CG2 3.74Å; Y96-I108 HydrophobicContact CD1-CD1 3.47Å; Y96-I108 VanDerWaalsContact CD1-CD1 3.47Å; Y96-I108 HydrophobicContact CD2-CD1 4.11Å; Y96-I108 HydrophobicContact CE1-CD1 3.6Å; Y96-I108 HydrophobicContact CE2-CD1 4.24Å; Y96-I108 HydrophobicContact CG-CD1 3.72Å; S104-I108 VanDerWaalsContact O-CG1 3.29Å; S104-I108 WeakPolarHBondContact O-CG1 3.41Å; S104-I108 PolarHBondContact O-N 3.39Å; K106-I108 PolarHBondContact O-N 2.69Å; I108-L112 HydrophobicContact CG2-CD1 3.85Å; I108-L112 HydrophobicContact CG2-CG 4.48Å; I108-L112 WeakPolarHBondContact O-CB 3.35Å; I108-L112 VanDerWaalsContact O-CG 3.24Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 2.78Å; I108-L112 VanDerWaalsContact O-N 3.08Å
109	K	96.7	Very high	96.1	Very high	85 Å²	85	71.6 Å²	71.6	37%	0.37	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-43.7	-178.6	-176.3	-175.9	174.5	-169.1	0	111.3	K105 K106 E107 L112 I113 L120	K105-K109 VanDerWaalsContact O-CB 3.23Å; K105-K109 WeakPolarHBondContact O-CB 3.45Å; K105-K109 PolarHBondContact O-N 3.02Å; K106-K109 WeakPolarHBondContact O-CB 3.41Å; K106-K109 PolarHBondContact O-N 3.01Å; E107-K109 VanDerWaalsContact C-N 3.28Å; E107-K109 PolarHBondContact O-N 2.78Å; K109-L112 PolarHBondContact O-N 3.03Å; K109-I113 HydrophobicContact CD-CD1 4.4Å; K109-I113 HydrophobicContact CG-CD1 3.8Å; K109-I113 HydrophobicContact CG-CG1 4.45Å; K109-I113 WeakPolarHBondContact O-CB 3.49Å; K109-I113 VanDerWaalsContact O-CG1 3.27Å; K109-I113 WeakPolarHBondContact O-CG1 3.23Å; K109-I113 PolarHBondContact O-N 2.91Å; K109-L120 HydrophobicContact CG-CD1 3.8Å
110	D	97	Very high	96.2	Very high	78 Å²	78	69.6 Å²	69.6	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-43.7	-178	-68.3	-15.4	0	0	0	110.7	K106 E107 L112 I113 Q114	K106-D110 WeakPolarHBondContact O-CB 3.3Å; K106-D110 PolarHBondContact O-N 3.2Å; E107-D110 PolarHBondContact O-N 2.79Å; D110-L112 PolarHBondContact O-N 3.06Å; D110-I113 PolarHBondContact O-N 2.9Å; D110-Q114 VanDerWaalsContact O-CB 3.31Å; D110-Q114 WeakPolarHBondContact O-CB 3.49Å; D110-Q114 PolarHBondContact O-N 2.79Å
111	I	96.7	Very high	96.4	Very high	53 Å²	53	69.2 Å²	69.2	27%	0.272	34%	0.342	S	S	.	.	H	α-helix	trans	-57.7	-47.2	174	-66.1	163.4	0	0	0	111.1	L57 L58 E107 Y115	L57-I111 HydrophobicContact CD2-CG2 3.59Å; L57-I111 HydrophobicContact CG-CG2 3.83Å; L58-I111 HydrophobicContact CD2-CB 4.27Å; L58-I111 HydrophobicContact CD2-CG2 4Å; E107-I111 HydrophobicContact CG-CD1 4.13Å; E107-I111 WeakPolarHBondContact O-CD1 3.44Å; E107-I111 VanDerWaalsContact O-CG1 3.3Å; E107-I111 WeakPolarHBondContact O-CG1 3.4Å; E107-I111 PolarHBondContact O-N 2.91Å; I111-Y115 PolarHBondContact O-N 3.23Å
112	L	96.7	Very high	96.4	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-42.7	179.3	-71.6	169	0	0	0	112.4	P54 L57 L58 V93 I108 K109 D110 D116 L119 L120	P54-L112 HydrophobicContact CB-CD2 4.46Å; L57-L112 HydrophobicContact CD2-CD2 3.9Å; L58-L112 HydrophobicContact CD1-CD1 4.23Å; L58-L112 HydrophobicContact CD1-CD2 3.99Å; L58-L112 HydrophobicContact CD1-CG 4.2Å; L58-L112 HydrophobicContact CD2-CD2 4.48Å; L58-L112 HydrophobicContact CD2-CG 4.27Å; L58-L112 HydrophobicContact CG-CD2 4.24Å; V93-L112 HydrophobicContact CG2-CD1 3.78Å; I108-L112 HydrophobicContact CG2-CD1 3.85Å; I108-L112 HydrophobicContact CG2-CG 4.48Å; I108-L112 WeakPolarHBondContact O-CB 3.35Å; I108-L112 VanDerWaalsContact O-CG 3.24Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 2.78Å; I108-L112 VanDerWaalsContact O-N 3.08Å; K109-L112 PolarHBondContact O-N 3.03Å; D110-L112 PolarHBondContact O-N 3.06Å; L112-D116 CarbonylContact O-C 3.6Å; L112-D116 PolarHBondContact O-N 3.26Å; L112-D116 VanDerWaalsContact O-O 3.13Å; L112-L119 HydrophobicContact CB-CD1 4.44Å; L112-L119 HydrophobicContact CD2-CB 4.36Å; L112-L119 HydrophobicContact CD2-CD1 3.66Å; L112-L120 HydrophobicContact CB-CD1 4.08Å; L112-L120 HydrophobicContact CB-CG 4.38Å; L112-L120 HydrophobicContact CD1-CD1 4.24Å; L112-L120 HydrophobicContact CD1-CD2 4.08Å; L112-L120 HydrophobicContact CD1-CG 4.26Å
113	I	95.6	Very high	96.4	Very high	74 Å²	74	64.1 Å²	64.1	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-68.5	-41.8	-179.1	-70.5	174.2	0	0	0	111	K109 D110 Y115 L120	K109-I113 HydrophobicContact CD-CD1 4.4Å; K109-I113 HydrophobicContact CG-CD1 3.8Å; K109-I113 HydrophobicContact CG-CG1 4.45Å; K109-I113 WeakPolarHBondContact O-CB 3.49Å; K109-I113 VanDerWaalsContact O-CG1 3.27Å; K109-I113 WeakPolarHBondContact O-CG1 3.23Å; K109-I113 PolarHBondContact O-N 2.91Å; D110-I113 PolarHBondContact O-N 2.9Å; I113-Y115 VanDerWaalsContact C-N 3.29Å; I113-Y115 PolarHBondContact O-N 3Å; I113-L120 HydrophobicContact CD1-CD1 4.3Å; I113-L120 HydrophobicContact CG1-CD1 3.88Å
114	Q	96.7	Very high	96.4	Very high	174 Å²	174	66 Å²	66	81%	0.813	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-37	-180	-172.9	175.8	4.4	0	0	111.7	D110	D110-Q114 VanDerWaalsContact O-CB 3.31Å; D110-Q114 WeakPolarHBondContact O-CB 3.49Å; D110-Q114 PolarHBondContact O-N 2.79Å
115	Y	96.6	Very high	96.5	Very high	117 Å²	117	72.8 Å²	72.8	46%	0.459	35%	0.35	S	S	.	.	H	α-helix	trans	-74.7	-57.4	174.4	-178.1	-102.2	0	0	0	112.4	E53 L57 I111 I113 L119	E53-Y115 HydrophobicContact CG-CE1 4.24Å; E53-Y115 PolarHBondContact OE1-OH 3.38Å; L57-Y115 HydrophobicContact CD1-CD1 4.15Å; L57-Y115 HydrophobicContact CD1-CD2 3.69Å; L57-Y115 HydrophobicContact CD1-CE2 4.32Å; L57-Y115 HydrophobicContact CD1-CG 3.59Å; L57-Y115 HydrophobicContact CD2-CG 4.32Å; I111-Y115 PolarHBondContact O-N 3.23Å; I113-Y115 VanDerWaalsContact C-N 3.29Å; I113-Y115 PolarHBondContact O-N 3Å; Y115-L119 HydrophobicContact CD1-CD1 3.93Å
116	D	95.9	Very high	96.5	Very high	41 Å²	41	76.8 Å²	76.8	22%	0.219	36%	0.364	C	S	.	.			trans	-158.5	111.1	-178.3	-175.2	-11.9	0	0	0	112	R85 L112 T118 L119	R85-D116 IonicContact CZ-OD2 3.02Å; R85-D116 VanDerWaalsContact CZ-OD2 3.23Å; R85-D116 IonicContact NH1-OD2 3.6Å; R85-D116 PolarHBondContact NH1-OD2 3.15Å; R85-D116 IonicContact NH2-OD2 3.03Å; R85-D116 PolarHBondContact NH2-OD2 2.79Å; L112-D116 CarbonylContact O-C 3.6Å; L112-D116 PolarHBondContact O-N 3.26Å; L112-D116 VanDerWaalsContact O-O 3.13Å; D116-T118 PolarHBondContact O-N 2.95Å; D116-T118 VanDerWaalsContact OD1-CB 3.29Å; D116-T118 WeakPolarHBondContact OD1-CB 3.48Å; D116-T118 WeakPolarHBondContact OD1-CG2 3.43Å; D116-T118 PolarHBondContact OD1-N 3.44Å; D116-T118 PolarHBondContact OD1-OG1 3.03Å; D116-T118 PolarHBondContact OD2-OG1 2.8Å; D116-L119 HydrophobicContact CB-CD1 4.18Å; D116-L119 HydrophobicContact CB-CG 4.2Å; D116-L119 VanDerWaalsContact O-CB 3.3Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 WeakPolarHBondContact O-CG 3.35Å; D116-L119 PolarHBondContact O-N 3.01Å
117	R	96.2	Very high	96.4	Very high	170 Å²	170	76.9 Å²	76.9	64%	0.642	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-52.7	-29.2	176.6	-167.7	-178.9	-178.8	-150.9	1.5	113.3	L119 L120 V121	R117-L119 PolarHBondContact O-N 3.21Å; R117-L120 PolarHBondContact O-N 3.23Å; R117-V121 HydrophobicContact CG-CB 4.14Å; R117-V121 HydrophobicContact CG-CG2 3.89Å; R117-V121 PolarHBondContact O-N 2.92Å
118	T	96.6	Very high	96.4	Very high	47 Å²	47	77 Å²	77	29%	0.288	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-69.8	-13.6	-178.8	70.4	0	0	0	0	114.1	R85 D116 L120 V121	R85-T118 PolarHBondContact NH1-OG1 3.31Å; D116-T118 PolarHBondContact O-N 2.95Å; D116-T118 VanDerWaalsContact OD1-CB 3.29Å; D116-T118 WeakPolarHBondContact OD1-CB 3.48Å; D116-T118 WeakPolarHBondContact OD1-CG2 3.43Å; D116-T118 PolarHBondContact OD1-N 3.44Å; D116-T118 PolarHBondContact OD1-OG1 3.03Å; D116-T118 PolarHBondContact OD2-OG1 2.8Å; T118-L120 PolarHBondContact O-N 3.45Å; T118-V121 WeakPolarHBondContact CA-O 3.34Å
119	L	96.8	Very high	96.5	Very high	0 Å²	0	81.5 Å²	81.5	0%	0	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-63.3	-31.2	170.8	-70.3	172.2	0	0	0	112.1	P54 R85 Q86 S89 L112 Y115 D116 R117	P54-L119 HydrophobicContact CB-CD2 4.49Å; R85-L119 HydrophobicContact CG-CD2 3.48Å; R85-L119 VanDerWaalsContact CG-CD2 3.48Å; R85-L119 VanDerWaalsContact CZ-CD2 3.4Å; Q86-L119 WeakPolarHBondContact CA-O 3.35Å; Q86-L119 VanDerWaalsContact CG-O 3.28Å; Q86-L119 WeakPolarHBondContact CG-O 3.45Å; S89-L119 VanDerWaalsContact CB-O 3.29Å; S89-L119 WeakPolarHBondContact CB-O 3.25Å; S89-L119 WeakPolarHBondContact OG-CD2 3.37Å; L112-L119 HydrophobicContact CB-CD1 4.44Å; L112-L119 HydrophobicContact CD2-CB 4.36Å; L112-L119 HydrophobicContact CD2-CD1 3.66Å; Y115-L119 HydrophobicContact CD1-CD1 3.93Å; D116-L119 HydrophobicContact CB-CD1 4.18Å; D116-L119 HydrophobicContact CB-CG 4.2Å; D116-L119 VanDerWaalsContact O-CB 3.3Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 WeakPolarHBondContact O-CG 3.35Å; D116-L119 PolarHBondContact O-N 3.01Å; R117-L119 PolarHBondContact O-N 3.21Å
120	L	96.9	Very high	96.5	Very high	26 Å²	26	84.3 Å²	84.3	14%	0.136	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-40.2	-179.8	-66	175.4	0	0	0	112.1	Q86 K90 V93 K109 L112 I113 R117 T118	Q86-L120 PolarHBondContact NE2-O 3.08Å; Q86-L120 VanDerWaalsContact NE2-O 3.11Å; K90-L120 WeakPolarHBondContact CE-O 3.47Å; K90-L120 HydrophobicContact CG-CD2 4.05Å; V93-L120 HydrophobicContact CG2-CD2 3.99Å; K109-L120 HydrophobicContact CG-CD1 3.8Å; L112-L120 HydrophobicContact CB-CD1 4.08Å; L112-L120 HydrophobicContact CB-CG 4.38Å; L112-L120 HydrophobicContact CD1-CD1 4.24Å; L112-L120 HydrophobicContact CD1-CD2 4.08Å; L112-L120 HydrophobicContact CD1-CG 4.26Å; I113-L120 HydrophobicContact CD1-CD1 4.3Å; I113-L120 HydrophobicContact CG1-CD1 3.88Å; R117-L120 PolarHBondContact O-N 3.23Å; T118-L120 PolarHBondContact O-N 3.45Å
121	V	96.8	Very high	96.4	Very high	67 Å²	67	85.8 Å²	85.8	41%	0.406	43%	0.427	S	S	.	.	S	Bend	trans	-96.9	132.3	-176.4	-174.7	0	0	0	0	110.6	R117 T118	R117-V121 HydrophobicContact CG-CB 4.14Å; R117-V121 HydrophobicContact CG-CG2 3.89Å; R117-V121 PolarHBondContact O-N 2.92Å; T118-V121 WeakPolarHBondContact CA-O 3.34Å
122	A	96.2	Very high	96.4	Very high	40 Å²	40	91.8 Å²	91.8	33%	0.331	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-74.8	141.7	-179	0	0	0	0	0	111	P124	A122-P124 WeakPolarHBondContact O-CD 3.41Å
123	D	95.7	Very high	96.4	Very high	23 Å²	23	93.8 Å²	93.8	12%	0.123	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-73	117.7	173	-174.7	-18.7	0	0	0	110	K16 R125	K16-D123 HydrophobicContact CD-CB 3.95Å; K16-D123 IonicContact NZ-OD2 2.8Å; K16-D123 PolarHBondContact NZ-OD2 3.21Å; D123-R125 PolarHBondContact O-N 2.92Å; D123-R125 VanDerWaalsContact OD1-CB 3.3Å; D123-R125 WeakPolarHBondContact OD1-CB 3.27Å; D123-R125 VanDerWaalsContact OD1-CG 3.23Å; D123-R125 WeakPolarHBondContact OD1-CG 3.46Å; D123-R125 IonicContact OD1-CZ 3.23Å; D123-R125 PolarHBondContact OD1-N 3.18Å; D123-R125 IonicContact OD1-NE 3.74Å; D123-R125 PolarHBondContact OD1-NE 3.23Å; D123-R125 IonicContact OD2-CZ 3.66Å; D123-R125 VanDerWaalsContact OD2-CZ 3.28Å; D123-R125 IonicContact OD2-NE 3.68Å; D123-R125 PolarHBondContact OD2-NE 2.89Å; D123-R125 IonicContact OD2-NH2 2.83Å; D123-R125 PolarHBondContact OD2-NH2 3.18Å
124	P	96.4	Very high	96.4	Very high	112 Å²	112	90.3 Å²	90.3	73%	0.727	45%	0.454	S	S	*	.			trans	-71.3	-16.5	-175.4	29	-35.1	0	0	0	113.2	A122 R126	A122-P124 WeakPolarHBondContact O-CD 3.41Å; P124-R126 PolarHBondContact O-N 3.28Å
125	R	96.3	Very high	96.4	Very high	179 Å²	179	86 Å²	86	68%	0.675	44%	0.441	S	S	*	.			trans	-57.7	135.8	-172.9	-66.9	179.1	-68.1	-179.5	-4	112.7	D123	D123-R125 PolarHBondContact O-N 2.92Å; D123-R125 VanDerWaalsContact OD1-CB 3.3Å; D123-R125 WeakPolarHBondContact OD1-CB 3.27Å; D123-R125 VanDerWaalsContact OD1-CG 3.23Å; D123-R125 WeakPolarHBondContact OD1-CG 3.46Å; D123-R125 IonicContact OD1-CZ 3.23Å; D123-R125 PolarHBondContact OD1-N 3.18Å; D123-R125 IonicContact OD1-NE 3.74Å; D123-R125 PolarHBondContact OD1-NE 3.23Å; D123-R125 IonicContact OD2-CZ 3.66Å; D123-R125 VanDerWaalsContact OD2-CZ 3.28Å; D123-R125 IonicContact OD2-NE 3.68Å; D123-R125 PolarHBondContact OD2-NE 2.89Å; D123-R125 IonicContact OD2-NH2 2.83Å; D123-R125 PolarHBondContact OD2-NH2 3.18Å
126	R	96.4	Very high	96.4	Very high	101 Å²	101	81.5 Å²	81.5	38%	0.381	43%	0.431	S	S	.	.			trans	-138.3	162.4	177.6	-68.8	-63.2	-176	-90.5	-6.6	110.2	K17 P124 E128	K17-R126 PolarHBondContact O-NE 2.62Å; K17-R126 PolarHBondContact O-NH1 2.85Å; K17-R126 PolarHBondContact O-NH2 2.8Å; K17-R126 VanDerWaalsContact O-NH2 3.08Å; P124-R126 PolarHBondContact O-N 3.28Å; R126-E128 PolarHBondContact O-N 2.99Å
127	C	95.6	Very high	96.4	Very high	130 Å²	130	80.6 Å²	80.6	88%	0.878	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-67.7	128.5	176.1	-158	0	0	0	0	109
128	E	96.4	Very high	96.4	Very high	99 Å²	99	81.5 Å²	81.5	46%	0.463	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-65.7	147.3	168.1	-66.8	179.4	-175.8	0	0	109.3	R126 A137 R138	R126-E128 PolarHBondContact O-N 2.99Å; E128-A137 HydrophobicContact CB-CB 3.58Å; E128-R138 IonicContact OE1-CZ 3.79Å; E128-R138 IonicContact OE1-NE 3.08Å; E128-R138 IonicContact OE1-NH2 3.9Å; E128-R138 PolarHBondContact OE1-NH2 3.18Å; E128-R138 IonicContact OE2-CZ 2.75Å; E128-R138 IonicContact OE2-NE 2.89Å; E128-R138 PolarHBondContact OE2-NE 3.32Å; E128-R138 VanDerWaalsContact OE2-NE 3.08Å; E128-R138 IonicContact OE2-NH2 2.71Å
129	S	97.3	Very high	96.4	Very high	96 Å²	96	81.7 Å²	81.7	67%	0.671	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-68.3	148.3	177.6	52.9	0	0	0	0	111.5	A137	S129-A137 VanDerWaalsContact O-CA 3.31Å; S129-A137 WeakPolarHBondContact O-CA 3.29Å; S129-A137 VanDerWaalsContact O-CB 3.26Å; S129-A137 WeakPolarHBondContact O-CB 3.42Å
130	K	96.9	Very high	96.3	Very high	143 Å²	143	88.7 Å²	88.7	62%	0.622	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-65.5	137	172	177.5	-175.8	174.3	-173.2	0	109.8	G134	K130-G134 WeakPolarHBondContact CE-O 3.2Å
131	K	96.6	Very high	96.3	Very high	109 Å²	109	94.9 Å²	94.9	47%	0.474	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-100.3	150.5	170.8	-59.1	-179.3	-170.2	172.7	0	109.5	G136 A137	K131-G136 PolarHBondContact N-O 3.44Å; K131-A137 WeakPolarHBondContact CD-O 3.26Å; K131-A137 VanDerWaalsContact CE-O 3.29Å; K131-A137 WeakPolarHBondContact CE-O 3.31Å; K131-A137 WeakPolarHBondContact CG-O 3.38Å
132	F	96.2	Very high	96.2	Very high	180 Å²	180	100.6 Å²	100.6	79%	0.789	51%	0.51	S	S	*	.	S	Bend	trans	-62.1	161.1	175.4	62.9	-94.6	0	0	0	111.2	G134 R140	F132-G134 PolarHBondContact O-N 3.44Å; F132-R140 PolarHBondContact O-NH1 2.66Å
133	G	96	Very high	96.2	Very high	41 Å²	41	105.1 Å²	105.1	42%	0.423	52%	0.522	S	S	.	.	S	Bend	trans	73.8	23.2	177.6	0	0	0	0	0	115	R140 Y141	G133-R140 WeakPolarHBondContact O-CA 3.14Å; G133-R140 WeakPolarHBondContact O-CD 3.4Å; G133-Y141 PolarHBondContact O-N 3.08Å
134	G	95.9	Very high	96.1	Very high	1 Å²	1	109.3 Å²	109.3	1%	0.01	55%	0.553	C	S	.	*	S	Bend	trans	-177.6	172.3	171.5	0	0	0	0	0	112.7	K130 F132 A139	K130-G134 WeakPolarHBondContact CE-O 3.2Å; F132-G134 PolarHBondContact O-N 3.44Å; G134-A139 WeakPolarHBondContact CA-O 3.44Å
135	P	96.6	Very high	96	Very high	84 Å²	84	113 Å²	113	55%	0.545	55%	0.554	S	S	.	*	S	Bend	trans	-77.9	-17.3	-176.3	29	-33.6	0	0	0	113.8	A139	P135-A139 HydrophobicContact CG-CB 3.98Å
136	G	96.6	Very high	95.3	Very high	23 Å²	23	119.6 Å²	119.6	24%	0.237	58%	0.579	C	S	.	*	S	Bend	trans	-136.6	-170.8	-170.7	0	0	0	0	0	115.2	K131 R138	K131-G136 PolarHBondContact N-O 3.44Å; G136-R138 VanDerWaalsContact C-N 3.29Å; G136-R138 PolarHBondContact O-N 3.36Å
137	A	96.6	Very high	95.2	Very high	21 Å²	21	120.6 Å²	120.6	17%	0.174	59%	0.589	C	S	.	*	S	Bend	trans	-66	-31.8	179	0	0	0	0	0	113.2	E128 S129 K131	E128-A137 HydrophobicContact CB-CB 3.58Å; S129-A137 VanDerWaalsContact O-CA 3.31Å; S129-A137 WeakPolarHBondContact O-CA 3.29Å; S129-A137 VanDerWaalsContact O-CB 3.26Å; S129-A137 WeakPolarHBondContact O-CB 3.42Å; K131-A137 WeakPolarHBondContact CD-O 3.26Å; K131-A137 VanDerWaalsContact CE-O 3.29Å; K131-A137 WeakPolarHBondContact CE-O 3.31Å; K131-A137 WeakPolarHBondContact CG-O 3.38Å
138	R	95.8	Very high	95.2	Very high	189 Å²	189	120.1 Å²	120.1	71%	0.713	57%	0.574	S	S	*	*	S	Bend	trans	-126.9	-27.1	-178.8	-57.3	-175.5	-173.1	-165.6	0.9	113.7	E128 G136	E128-R138 IonicContact OE1-CZ 3.79Å; E128-R138 IonicContact OE1-NE 3.08Å; E128-R138 IonicContact OE1-NH2 3.9Å; E128-R138 PolarHBondContact OE1-NH2 3.18Å; E128-R138 IonicContact OE2-CZ 2.75Å; E128-R138 IonicContact OE2-NE 2.89Å; E128-R138 PolarHBondContact OE2-NE 3.32Å; E128-R138 VanDerWaalsContact OE2-NE 3.08Å; E128-R138 IonicContact OE2-NH2 2.71Å; G136-R138 VanDerWaalsContact C-N 3.29Å; G136-R138 PolarHBondContact O-N 3.36Å
139	A	96.4	Very high	95.1	Very high	52 Å²	52	121.2 Å²	121.2	43%	0.43	58%	0.58	S	S	.	*			trans	-63.8	135.3	177.3	0	0	0	0	0	110.9	G134 P135	G134-A139 WeakPolarHBondContact CA-O 3.44Å; P135-A139 HydrophobicContact CG-CB 3.98Å
140	R	94.8	Very high	95	Very high	147 Å²	147	122.7 Å²	122.7	56%	0.555	57%	0.574	S	S	*	*			trans	-112.4	158.2	173	-63	-63.6	-172.1	162.5	6.8	109.4	F132 G133	F132-R140 PolarHBondContact O-NH1 2.66Å; G133-R140 WeakPolarHBondContact O-CA 3.14Å; G133-R140 WeakPolarHBondContact O-CD 3.4Å
141	Y	96.2	Very high	94.9	Very high	156 Å²	156	121.4 Å²	121.4	61%	0.612	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-64.7	147.7	169.6	-63.9	-55.1	0	0	0	110.7	G133 K143	G133-Y141 PolarHBondContact O-N 3.08Å; Y141-K143 PolarHBondContact O-N 3.5Å
142	Q	95.5	Very high	94.7	Very high	186 Å²	186	122.3 Å²	122.3	87%	0.869	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-60.6	126	179.2	-176.6	64.1	21.3	0	0	109.7
143	K	95.1	Very high	94.6	Very high	135 Å²	135	118.1 Å²	118.1	59%	0.587	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-87.5	128.8	174.9	-175.6	174.6	176.8	-176.4	0	109.3	Y141 Y145	Y141-K143 PolarHBondContact O-N 3.5Å; K143-Y145 HydrophobicContact CD-CD1 4.34Å; K143-Y145 HydrophobicContact CD-CE1 3.72Å; K143-Y145 HydrophobicContact CG-CE1 4.33Å; K143-Y145 HydrophobicContact CG-CE2 4.46Å
144	S	95.3	Very high	94.5	Very high	112 Å²	112	124.1 Å²	124.1	78%	0.783	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-91.7	134.5	161.5	49.6	0	0	0	0	108.9
145	Y	92.8	Very high	94.4	Very high	190 Å²	190	134.3 Å²	134.3	75%	0.745	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-95.7	144.1	174.7	-62.1	-88	0	0	0	108.8	K143	K143-Y145 HydrophobicContact CD-CD1 4.34Å; K143-Y145 HydrophobicContact CD-CE1 3.72Å; K143-Y145 HydrophobicContact CG-CE1 4.33Å; K143-Y145 HydrophobicContact CG-CE2 4.46Å
146	R	81.2	Confident	94.2	Very high	317 Å²	317	138.9 Å²	138.9	100%	1.196	63%	0.627	S	S	*	*			trans	-106.4	0	170.6	-177.3	177.4	-176.5	177.3	2	108.6

Retrieved 146 of 146 residues in 42 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).