A0A5K4F843_SCHMA Loading...

Glycoprotein

AlphaFold DB , UniProt , Accession A0A5K4F843, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 aa.

						>A0A5K4F843_SCHMA|A0A5K4F843
MNSLKVENPSLSTDAKCTNVTFTSVELSKRQKRQANTVVDQNTQQGIQGTANIEIPSPQAKDLTAETFTTIINSGIKKSDKQTGLKLSNIETKIVGVTLLTIILVGIIYMCHRKQSTLIIDRARINP
					

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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	29.8	Very low	38.8	Very low	229 Å²	229	100 Å²	100	100%	1.128	53%	0.526	S	S	*	.				0	122.2	0	-94	172.8	149.9	0	0	107.8	S3	M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.4Å
2	N	37.1	Very low	39.4	Very low	114 Å²	114	100.8 Å²	100.8	61%	0.61	55%	0.546	S	S	*	.			trans	-68.6	61.2	-155.4	-59.8	-9.1	0	0	0	116.2	L4 K5	N2-L4 PolarHBondContact O-N 3.18Å; N2-K5 PolarHBondContact O-N 2.74Å
3	S	43.7	Very low	40.3	Very low	60 Å²	60	100.8 Å²	100.8	42%	0.42	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-60.7	-28.8	-174.1	-173.7	0	0	0	0	114	M1 P9	M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.4Å; S3-P9 WeakPolarHBondContact O-CB 3.35Å
4	L	30	Very low	41	Very low	14 Å²	14	98.6 Å²	98.6	7%	0.073	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-80.1	-15.7	-176.1	-68.8	175	0	0	0	115.8	N2 P9 L11 Q59 D62 L63	N2-L4 PolarHBondContact O-N 3.18Å; L4-P9 HydrophobicContact CD2-CB 3.89Å; L4-P9 HydrophobicContact CD2-CG 4.43Å; L4-L11 HydrophobicContact CD2-CD1 4.31Å; L4-L11 HydrophobicContact CD2-CD2 3.64Å; L4-L11 HydrophobicContact CD2-CG 4.06Å; L4-Q59 WeakPolarHBondContact CD1-O 3.39Å; L4-D62 HydrophobicContact CD1-CB 4.2Å; L4-L63 HydrophobicContact CD1-CB 3.59Å; L4-L63 HydrophobicContact CD1-CD1 3.77Å; L4-L63 HydrophobicContact CD1-CG 4.15Å; L4-L63 HydrophobicContact CD2-CD1 4.46Å
5	K	36.2	Very low	42.1	Very low	176 Å²	176	93.8 Å²	93.8	77%	0.765	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-83.6	-12.8	-179.5	-83.4	-172.6	175.3	-177.9	0	113.6	N2	N2-K5 PolarHBondContact O-N 2.74Å
6	V	40.2	Very low	43	Very low	96 Å²	96	96.8 Å²	96.8	58%	0.582	52%	0.524	S	S	*	.	S	Bend	trans	-81.8	135.5	177	-170.9	0	0	0	0	107.4	N8 P9	V6-N8 CarbonylContact O-C 2.92Å; V6-N8 PolarHBondContact O-N 2.86Å; V6-P9 WeakPolarHBondContact O-CD 3.2Å
7	E	39.4	Very low	43.8	Very low	175 Å²	175	95.4 Å²	95.4	82%	0.818	52%	0.521	S	S	*	.	S	Bend	trans	-55.5	-9.6	-174.1	-156.2	178.2	-179.6	0	0	114.7
8	N	40	Very low	44.6	Very low	135 Å²	135	92.3 Å²	92.3	72%	0.722	51%	0.506	S	S	*	.	S	Bend	trans	-131.3	74.9	170	-65.9	-50.6	0	0	0	109.4	V6 S10	V6-N8 CarbonylContact O-C 2.92Å; V6-N8 PolarHBondContact O-N 2.86Å; N8-S10 PolarHBondContact O-N 2.8Å
9	P	40.8	Very low	45.5	Very low	25 Å²	25	93.4 Å²	93.4	16%	0.162	51%	0.511	C	S	.	.			trans	-65.3	138	171.6	31.5	-31.8	0	0	0	107.5	S3 L4 V6 L11	S3-P9 WeakPolarHBondContact O-CB 3.35Å; L4-P9 HydrophobicContact CD2-CB 3.89Å; L4-P9 HydrophobicContact CD2-CG 4.43Å; V6-P9 WeakPolarHBondContact O-CD 3.2Å; P9-L11 HydrophobicContact CB-CD1 4.29Å; P9-L11 HydrophobicContact CB-CG 3.98Å; P9-L11 HydrophobicContact CG-CD1 3.63Å; P9-L11 HydrophobicContact CG-CG 3.84Å; P9-L11 PolarHBondContact O-N 3.29Å
10	S	43.4	Very low	46	Very low	59 Å²	59	91.5 Å²	91.5	41%	0.413	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-70.4	36.8	178	70.8	0	0	0	0	112.5	N8 S12 T13	N8-S10 PolarHBondContact O-N 2.8Å; S10-S12 PolarHBondContact O-N 3.38Å; S10-T13 PolarHBondContact O-N 3.11Å; S10-T13 PolarHBondContact O-OG1 2.9Å; S10-T13 VanDerWaalsContact O-OG1 3.07Å
11	L	46	Very low	46.4	Very low	17 Å²	17	90.6 Å²	90.6	9%	0.089	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-52.8	-26	173.6	-72.2	173.5	0	0	0	111.3	L4 P9 T13 D14 A15 I55	L4-L11 HydrophobicContact CD2-CD1 4.31Å; L4-L11 HydrophobicContact CD2-CD2 3.64Å; L4-L11 HydrophobicContact CD2-CG 4.06Å; P9-L11 HydrophobicContact CB-CD1 4.29Å; P9-L11 HydrophobicContact CB-CG 3.98Å; P9-L11 HydrophobicContact CG-CD1 3.63Å; P9-L11 HydrophobicContact CG-CG 3.84Å; P9-L11 PolarHBondContact O-N 3.29Å; L11-T13 PolarHBondContact O-N 3.04Å; L11-D14 PolarHBondContact O-N 2.62Å; L11-A15 HydrophobicContact CB-CB 4.43Å; L11-A15 WeakPolarHBondContact O-CB 3.3Å; L11-A15 PolarHBondContact O-N 3.32Å; L11-I55 HydrophobicContact CD2-CD1 3.84Å; L11-I55 HydrophobicContact CD2-CG2 3.97Å
12	S	46.7	Very low	47.7	Very low	110 Å²	110	84.5 Å²	84.5	77%	0.769	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-61.9	-24.9	-176.7	61.4	0	0	0	0	114.8	S10	S10-S12 PolarHBondContact O-N 3.38Å
13	T	51.3	Low	48.5	Very low	101 Å²	101	82.4 Å²	82.4	62%	0.62	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-78	-29.4	-179.8	43.7	0	0	0	0	112.6	S10 L11	S10-T13 PolarHBondContact O-N 3.11Å; S10-T13 PolarHBondContact O-OG1 2.9Å; S10-T13 VanDerWaalsContact O-OG1 3.07Å; L11-T13 PolarHBondContact O-N 3.04Å
14	D	50.2	Low	49	Very low	70 Å²	70	83 Å²	83	37%	0.374	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-22.7	-164	-65.1	-53.7	0	0	0	114	L11 K16 P56 Q59	L11-D14 PolarHBondContact O-N 2.62Å; D14-K16 PolarHBondContact O-N 3Å; D14-P56 HydrophobicContact CB-CG 3.83Å; D14-P56 WeakPolarHBondContact O-CD 3.45Å; D14-P56 WeakPolarHBondContact O-CG 3.24Å; D14-Q59 PolarHBondContact OD2-NE2 3.31Å
15	A	56.3	Low	50.1	Low	26 Å²	26	84.3 Å²	84.3	22%	0.215	47%	0.471	C	S	.	.			trans	-72.3	116.4	179.1	0	0	0	0	0	110.7	L11 I53 E54 I55 I102	L11-A15 HydrophobicContact CB-CB 4.43Å; L11-A15 WeakPolarHBondContact O-CB 3.3Å; L11-A15 PolarHBondContact O-N 3.32Å; A15-I53 HydrophobicContact CB-CG2 3.9Å; A15-E54 CarbonylContact C-O 3.56Å; A15-E54 WeakPolarHBondContact CA-O 3.38Å; A15-I55 HydrophobicContact CB-CG1 4Å; A15-I102 HydrophobicContact CB-CD1 4.02Å
16	K	57.2	Low	50.9	Low	142 Å²	142	84 Å²	84	62%	0.617	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.3	177.2	-68.9	-175.2	-180	178.7	0	110.5	D14 I53 E54	D14-K16 PolarHBondContact O-N 3Å; K16-I53 CarbonylContact O-C 3.6Å; K16-I53 WeakPolarHBondContact O-CA 3.46Å; K16-I53 VanDerWaalsContact O-CG2 3.27Å; K16-I53 WeakPolarHBondContact O-CG2 3.45Å; K16-E54 HydrophobicContact CB-CB 4.39Å; K16-E54 PolarHBondContact N-O 2.7Å; K16-E54 PolarHBondContact O-N 2.79Å
17	C	57.1	Low	51.3	Low	72 Å²	72	82.2 Å²	82.2	49%	0.486	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.7	170.8	154.8	0	0	0	0	109.5	V20 N52 I53 I103	C17-V20 WeakPolarHBondContact SG-CG2 3.49Å; C17-N52 CarbonylContact C-O 3.04Å; C17-N52 WeakPolarHBondContact CA-O 3.34Å; C17-I53 HydrophobicContact CB-CG1 4.18Å; C17-I103 HydrophobicContact CB-CD1 4.06Å; C17-I103 HydrophobicContact CB-CG1 4.06Å; C17-I103 WeakPolarHBondContact SG-CD1 3.37Å; C17-I103 WeakPolarHBondContact SG-CG1 3.29Å
18	T	57.2	Low	51.4	Low	41 Å²	41	79.2 Å²	79.2	25%	0.252	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	158.3	179.1	59.7	0	0	0	0	110.6	V20 N52 E54	T18-V20 PolarHBondContact O-N 3.14Å; T18-N52 PolarHBondContact N-O 3.32Å; T18-N52 CarbonylContact O-C 3.47Å; T18-N52 WeakPolarHBondContact O-CA 3.39Å; T18-N52 WeakPolarHBondContact O-CB 3.47Å; T18-N52 PolarHBondContact O-N 2.89Å; T18-E54 PolarHBondContact OG1-OE1 3.1Å
19	N	62.8	Low	51.5	Low	112 Å²	112	82.5 Å²	82.5	60%	0.599	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.2	50.1	173.6	-55.4	-24.5	0	0	0	115.1	T21 N52	N19-T21 PolarHBondContact O-N 3.24Å; N19-N52 HydrophobicContact CB-CB 4.34Å; N19-N52 PolarHBondContact ND2-ND2 2.95Å
20	V	54.9	Low	51.3	Low	55 Å²	55	86.8 Å²	86.8	33%	0.333	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	113.1	171.1	-179.4	0	0	0	0	109.5	C17 T18 F22 T50 I103 I107	C17-V20 WeakPolarHBondContact SG-CG2 3.49Å; T18-V20 PolarHBondContact O-N 3.14Å; V20-F22 HydrophobicContact CG1-CD2 4.32Å; V20-F22 HydrophobicContact CG1-CE2 3.53Å; V20-F22 HydrophobicContact CG1-CZ 3.71Å; V20-T50 CarbonylContact C-O 3.55Å; V20-T50 WeakPolarHBondContact CA-O 3.3Å; V20-I103 HydrophobicContact CG1-CG2 4.21Å; V20-I103 HydrophobicContact CG2-CD1 3.97Å; V20-I103 HydrophobicContact CG2-CG1 4.35Å; V20-I103 HydrophobicContact CG2-CG2 3.98Å; V20-I107 HydrophobicContact CG1-CD1 3.57Å; V20-I107 HydrophobicContact CG1-CG1 3.94Å
21	T	53.7	Low	50.8	Low	73 Å²	73	93.5 Å²	93.5	45%	0.448	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.1	179	-55.2	0	0	0	0	109.8	N19 G49 T50	N19-T21 PolarHBondContact O-N 3.24Å; T21-G49 CarbonylContact O-C 3.52Å; T21-G49 WeakPolarHBondContact O-CA 3.49Å; T21-T50 PolarHBondContact N-O 3.35Å; T21-T50 PolarHBondContact O-N 3.28Å
22	F	57.5	Low	50.2	Low	102 Å²	102	97.9 Å²	97.9	45%	0.447	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.4	169.6	-57.7	-86.4	0	0	0	108.7	V20 I47 Q48 I107	V20-F22 HydrophobicContact CG1-CD2 4.32Å; V20-F22 HydrophobicContact CG1-CE2 3.53Å; V20-F22 HydrophobicContact CG1-CZ 3.71Å; F22-I47 HydrophobicContact CB-CG2 3.86Å; F22-I47 HydrophobicContact CD1-CG2 3.77Å; F22-I47 HydrophobicContact CG-CG2 4.27Å; F22-Q48 CarbonylContact C-O 3.58Å; F22-Q48 WeakPolarHBondContact CA-O 3.44Å; F22-I107 HydrophobicContact CE1-CD1 3.61Å; F22-I107 HydrophobicContact CE1-CG1 4.38Å; F22-I107 HydrophobicContact CE1-CG2 3.68Å; F22-I107 HydrophobicContact CE2-CD1 4.38Å; F22-I107 HydrophobicContact CZ-CB 4.15Å; F22-I107 HydrophobicContact CZ-CD1 3.33Å; F22-I107 HydrophobicContact CZ-CG1 3.73Å; F22-I107 HydrophobicContact CZ-CG2 3.33Å
23	T	53.6	Low	49.6	Very low	69 Å²	69	100.5 Å²	100.5	42%	0.423	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.9	176.8	-44.9	0	0	0	0	108	V25 Q48	T23-V25 PolarHBondContact O-N 3.19Å; T23-Q48 PolarHBondContact N-O 3.39Å; T23-Q48 PolarHBondContact O-N 2.8Å
24	S	54.6	Low	48.5	Very low	73 Å²	73	104 Å²	104	51%	0.51	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.5	168.4	-172.1	0	0	0	0	107.8	G46	S24-G46 WeakPolarHBondContact CA-O 3.3Å
25	V	53.8	Low	47.6	Very low	42 Å²	42	104.1 Å²	104.1	26%	0.255	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.1	179	-66.9	0	0	0	0	108.8	T23 L27 G46 Q48	T23-V25 PolarHBondContact O-N 3.19Å; V25-L27 PolarHBondContact O-N 3.2Å; V25-G46 PolarHBondContact N-O 2.84Å; V25-G46 PolarHBondContact O-N 2.66Å; V25-Q48 HydrophobicContact CG1-CB 3.81Å; V25-Q48 HydrophobicContact CG2-CB 4.11Å
26	E	52.2	Low	46.5	Very low	170 Å²	170	110.7 Å²	110.7	79%	0.794	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.1	114.9	172.5	-70.6	-172.1	159.1	0	0	109	S28	E26-S28 PolarHBondContact O-N 3.5Å
27	L	48.4	Very low	45.2	Very low	58 Å²	58	108.6 Å²	108.6	30%	0.304	57%	0.566	S	S	.	*			trans	-78.3	94.3	177.1	-66.8	161	0	0	0	109	V25 K29 R30 Q44 G46	V25-L27 PolarHBondContact O-N 3.2Å; L27-K29 PolarHBondContact O-N 3Å; L27-K29 VanDerWaalsContact O-N 3.11Å; L27-R30 HydrophobicContact CD2-CG 4.22Å; L27-Q44 VanDerWaalsContact CB-O 3.24Å; L27-Q44 WeakPolarHBondContact CB-O 3.43Å; L27-Q44 HydrophobicContact CD1-CB 4.48Å; L27-Q44 PolarHBondContact N-O 3.14Å; L27-G46 VanDerWaalsContact CG-CA 3.48Å
28	S	42.8	Very low	44.1	Very low	111 Å²	111	112.7 Å²	112.7	78%	0.776	59%	0.588	S	S	*	*	S	Bend	trans	-71.9	103.2	158	56.8	0	0	0	0	108.3	E26	E26-S28 PolarHBondContact O-N 3.5Å
29	K	40.5	Very low	43.3	Very low	204 Å²	204	115.3 Å²	115.3	89%	0.887	60%	0.604	S	S	*	*			trans	79	59.3	166.2	-49.1	178.8	179.8	-179	0	118.8	L27	L27-K29 PolarHBondContact O-N 3Å; L27-K29 VanDerWaalsContact O-N 3.11Å
30	R	37.3	Very low	42.1	Very low	116 Å²	116	117.2 Å²	117.2	44%	0.438	61%	0.614	S	S	.	*			trans	-92.5	123.9	153.1	-87.4	-167.7	179.5	-146.2	9.6	111	L27 K32 K86 S88	L27-R30 HydrophobicContact CD2-CG 4.22Å; R30-K32 PolarHBondContact O-N 3.14Å; R30-K86 PolarHBondContact NH1-O 3.02Å; R30-S88 VanDerWaalsContact NH2-CB 3.32Å; R30-S88 PolarHBondContact NH2-OG 3.34Å
31	Q	32.5	Very low	41.4	Very low	199 Å²	199	121.9 Å²	121.9	93%	0.93	63%	0.632	S	S	*	*			trans	-58.9	114.9	168.7	-76.5	177.3	-24.4	0	0	109	R33	Q31-R33 PolarHBondContact O-N 3.41Å
32	K	34.6	Very low	40.8	Very low	109 Å²	109	125.6 Å²	125.6	47%	0.474	65%	0.65	S	S	.	*			trans	-56.8	122.6	-177.4	-146.3	174.7	-171.9	179.2	0	109.2	R30 Q34 V39	R30-K32 PolarHBondContact O-N 3.14Å; K32-Q34 PolarHBondContact O-N 2.88Å; K32-V39 PolarHBondContact NZ-O 3.44Å
33	R	33.8	Very low	40.2	Very low	165 Å²	165	126.1 Å²	126.1	62%	0.623	66%	0.661	S	S	*	*			trans	-71.8	115.7	151.5	-67.2	178.9	98.2	174.9	5.3	104.9	Q31 A35 G84	Q31-R33 PolarHBondContact O-N 3.41Å; R33-A35 PolarHBondContact O-N 3.08Å; R33-G84 PolarHBondContact NH1-O 3.13Å
34	Q	28	Very low	39.9	Very low	174 Å²	174	127.1 Å²	127.1	81%	0.813	66%	0.661	S	S	*	*			trans	-64	90.9	167.3	-80.3	174.8	-33.9	0	0	107.8	K32	K32-Q34 PolarHBondContact O-N 2.88Å
35	A	30.2	Very low	39.5	Very low	74 Å²	74	130.6 Å²	130.6	61%	0.612	67%	0.669	S	S	*	*			trans	-79.1	127.4	143.6	0	0	0	0	0	104.8	R33 T37	R33-A35 PolarHBondContact O-N 3.08Å; A35-T37 PolarHBondContact O-N 3.37Å
36	N	34.4	Very low	39.5	Very low	163 Å²	163	129 Å²	129	87%	0.872	66%	0.661	S	S	*	*	S	Bend	trans	-74.6	54.1	-167.6	-134.9	29.3	0	0	0	112
37	T	29.8	Very low	39.7	Very low	99 Å²	99	127.2 Å²	127.2	61%	0.607	66%	0.655	S	S	*	*			trans	-121.9	120.2	172.6	33.9	0	0	0	0	107.9	A35 V39	A35-T37 PolarHBondContact O-N 3.37Å; T37-V39 PolarHBondContact O-N 3.31Å
38	V	34.1	Very low	40.1	Very low	157 Å²	157	129.7 Å²	129.7	95%	0.952	67%	0.666	S	S	*	*			trans	-60.2	88.5	173.9	-179.2	0	0	0	0	107.4
39	V	39.5	Very low	40.9	Very low	97 Å²	97	125.7 Å²	125.7	59%	0.588	64%	0.641	S	S	*	*			trans	-116.6	121.6	171	-177.6	0	0	0	0	107.3	K32 T37	K32-V39 PolarHBondContact NZ-O 3.44Å; T37-V39 PolarHBondContact O-N 3.31Å
40	D	38.5	Very low	41.6	Very low	151 Å²	151	119 Å²	119	81%	0.807	62%	0.618	S	S	*	*			trans	-29.3	132.1	-175.1	-115	-39.5	0	0	0	114.9	N42	D40-N42 PolarHBondContact O-N 2.93Å
41	Q	40.7	Very low	42.5	Very low	153 Å²	153	113.8 Å²	113.8	72%	0.715	60%	0.6	S	S	*	*	S	Bend	trans	-78.7	108.6	175.3	-62.5	172.6	-19.8	0	0	107.5
42	N	41	Very low	43.5	Very low	152 Å²	152	106.5 Å²	106.5	81%	0.813	57%	0.567	S	S	*	*	S	Bend		164.8	-3.7	126.5	-81.9	-27.4	0	0	0	117.9	D40	D40-N42 PolarHBondContact O-N 2.93Å
43	T	43.1	Very low	44.5	Very low	112 Å²	112	101.4 Å²	101.4	69%	0.687	55%	0.545	S	S	*	.			trans	-141.4	87.6	169.5	43	0	0	0	0	110.1	Q45	T43-Q45 PolarHBondContact O-N 3.25Å; T43-Q45 VanDerWaalsContact O-N 3.14Å
44	Q	47.6	Very low	45.6	Very low	90 Å²	90	97.4 Å²	97.4	42%	0.421	53%	0.534	S	S	.	.			trans	-75.6	107.9	174	-72	179.3	39.8	0	0	108.3	L27	L27-Q44 VanDerWaalsContact CB-O 3.24Å; L27-Q44 WeakPolarHBondContact CB-O 3.43Å; L27-Q44 HydrophobicContact CD1-CB 4.48Å; L27-Q44 PolarHBondContact N-O 3.14Å
45	Q	47.4	Very low	47.2	Very low	147 Å²	147	89.4 Å²	89.4	69%	0.687	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.7	172.5	-65.7	-178.4	4.2	0	0	109	T43	T43-Q45 PolarHBondContact O-N 3.25Å; T43-Q45 VanDerWaalsContact O-N 3.14Å
46	G	53.4	Low	48.5	Very low	8 Å²	8	88.6 Å²	88.6	8%	0.082	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	163.7	169.4	0	0	0	0	0	110.5	S24 V25 L27	S24-G46 WeakPolarHBondContact CA-O 3.3Å; V25-G46 PolarHBondContact N-O 2.84Å; V25-G46 PolarHBondContact O-N 2.66Å; L27-G46 VanDerWaalsContact CG-CA 3.48Å
47	I	56.5	Low	49.5	Very low	132 Å²	132	84.2 Å²	84.2	68%	0.677	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.1	172.9	-57.4	174.8	0	0	0	107.1	F22	F22-I47 HydrophobicContact CB-CG2 3.86Å; F22-I47 HydrophobicContact CD1-CG2 3.77Å; F22-I47 HydrophobicContact CG-CG2 4.27Å
48	Q	57.3	Low	50.9	Low	111 Å²	111	84.3 Å²	84.3	52%	0.519	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.6	168.6	-177.3	170.8	-19.7	0	0	108.6	F22 T23 V25	F22-Q48 CarbonylContact C-O 3.58Å; F22-Q48 WeakPolarHBondContact CA-O 3.44Å; T23-Q48 PolarHBondContact N-O 3.39Å; T23-Q48 PolarHBondContact O-N 2.8Å; V25-Q48 HydrophobicContact CG1-CB 3.81Å; V25-Q48 HydrophobicContact CG2-CB 4.11Å
49	G	58.6	Low	51.9	Low	26 Å²	26	78.6 Å²	78.6	27%	0.268	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.1	176.8	0	0	0	0	0	111.4	T21	T21-G49 CarbonylContact O-C 3.52Å; T21-G49 WeakPolarHBondContact O-CA 3.49Å
50	T	56.5	Low	52.6	Low	63 Å²	63	74.4 Å²	74.4	39%	0.387	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	156.4	174.3	-51.1	0	0	0	0	110.2	V20 T21	V20-T50 CarbonylContact C-O 3.55Å; V20-T50 WeakPolarHBondContact CA-O 3.3Å; T21-T50 PolarHBondContact N-O 3.35Å; T21-T50 PolarHBondContact O-N 3.28Å
51	A	54.8	Low	53.5	Low	7 Å²	7	75.2 Å²	75.2	6%	0.058	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	107.8	-141.5	0	0	0	0	0	114.7	L100 T101 I103	A51-L100 WeakPolarHBondContact O-CG 3.4Å; A51-T101 PolarHBondContact O-N 3.32Å; A51-I103 HydrophobicContact CB-CB 3.26Å; A51-I103 HydrophobicContact CB-CD1 3.22Å; A51-I103 HydrophobicContact CB-CG1 3.73Å; A51-I103 HydrophobicContact CB-CG2 3.33Å
52	N	53	Low	54.5	Low	47 Å²	47	72.8 Å²	72.8	25%	0.251	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138	174.8	-58.6	-6.6	0	0	0	111.6	C17 T18 N19 L100 I103	C17-N52 CarbonylContact C-O 3.04Å; C17-N52 WeakPolarHBondContact CA-O 3.34Å; T18-N52 PolarHBondContact N-O 3.32Å; T18-N52 CarbonylContact O-C 3.47Å; T18-N52 WeakPolarHBondContact O-CA 3.39Å; T18-N52 WeakPolarHBondContact O-CB 3.47Å; T18-N52 PolarHBondContact O-N 2.89Å; N19-N52 HydrophobicContact CB-CB 4.34Å; N19-N52 PolarHBondContact ND2-ND2 2.95Å; N52-L100 HydrophobicContact CB-CD1 3.88Å; N52-L100 HydrophobicContact CB-CG 4.42Å; N52-L100 VanDerWaalsContact OD1-CD1 3.29Å; N52-L100 WeakPolarHBondContact OD1-CD1 3.23Å; N52-I103 VanDerWaalsContact O-CD1 3.27Å; N52-I103 WeakPolarHBondContact O-CD1 3.44Å
53	I	57.5	Low	55.5	Low	2 Å²	2	66.2 Å²	66.2	1%	0.01	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.3	170.9	-50.4	83.9	0	0	0	108.3	A15 K16 C17 I55 T98 L99 T101 I102 I103	A15-I53 HydrophobicContact CB-CG2 3.9Å; K16-I53 CarbonylContact O-C 3.6Å; K16-I53 WeakPolarHBondContact O-CA 3.46Å; K16-I53 VanDerWaalsContact O-CG2 3.27Å; K16-I53 WeakPolarHBondContact O-CG2 3.45Å; C17-I53 HydrophobicContact CB-CG1 4.18Å; I53-I55 HydrophobicContact CG2-CG1 4.24Å; I53-T98 CarbonylContact O-C 3.59Å; I53-L99 CarbonylContact C-O 3.58Å; I53-L99 WeakPolarHBondContact CA-O 3.46Å; I53-L99 WeakPolarHBondContact CB-O 3.05Å; I53-L99 PolarHBondContact N-O 3.26Å; I53-L99 CarbonylContact O-C 3.58Å; I53-L99 WeakPolarHBondContact O-CA 3.18Å; I53-L99 PolarHBondContact O-N 2.94Å; I53-T101 VanDerWaalsContact CD1-CA 3.45Å; I53-I102 HydrophobicContact CB-CD1 4.49Å; I53-I102 HydrophobicContact CB-CG1 4.25Å; I53-I102 HydrophobicContact CD1-CB 4.01Å; I53-I102 HydrophobicContact CD1-CG1 4.12Å; I53-I102 HydrophobicContact CG1-CB 3.88Å; I53-I102 HydrophobicContact CG1-CG1 3.95Å; I53-I102 HydrophobicContact CG2-CD1 3.79Å; I53-I102 HydrophobicContact CG2-CG1 4.08Å; I53-I103 HydrophobicContact CD1-CB 4.45Å; I53-I103 HydrophobicContact CD1-CD1 3.44Å; I53-I103 VanDerWaalsContact CD1-CD1 3.44Å; I53-I103 HydrophobicContact CD1-CG1 3.64Å; I53-I103 HydrophobicContact CG1-CD1 3.72Å; I53-I103 HydrophobicContact CG1-CG1 3.88Å
54	E	56.9	Low	56.5	Low	81 Å²	81	64.5 Å²	64.5	38%	0.379	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.5	179.2	-56.7	178	-168.2	0	0	105.8	A15 K16 T18 T98	A15-E54 CarbonylContact C-O 3.56Å; A15-E54 WeakPolarHBondContact CA-O 3.38Å; K16-E54 HydrophobicContact CB-CB 4.39Å; K16-E54 PolarHBondContact N-O 2.7Å; K16-E54 PolarHBondContact O-N 2.79Å; T18-E54 PolarHBondContact OG1-OE1 3.1Å; E54-T98 HydrophobicContact CB-CG2 3.88Å; E54-T98 HydrophobicContact CG-CG2 3.62Å
55	I	60.8	Low	57.5	Low	6 Å²	6	63 Å²	63	3%	0.031	35%	0.353	C	S	.	.			trans	-107.7	120.3	177.9	-61.4	-175.1	0	0	0	107.4	L11 A15 I53 Q59 A60 L63 L99 I102	L11-I55 HydrophobicContact CD2-CD1 3.84Å; L11-I55 HydrophobicContact CD2-CG2 3.97Å; A15-I55 HydrophobicContact CB-CG1 4Å; I53-I55 HydrophobicContact CG2-CG1 4.24Å; I55-Q59 HydrophobicContact CG2-CB 3.92Å; I55-A60 HydrophobicContact CB-CB 4.18Å; I55-A60 HydrophobicContact CG2-CB 4.03Å; I55-L63 HydrophobicContact CD1-CD2 4.12Å; I55-L99 HydrophobicContact CB-CB 4.31Å; I55-L99 HydrophobicContact CB-CD1 3.91Å; I55-L99 HydrophobicContact CD1-CB 3.75Å; I55-L99 HydrophobicContact CD1-CD1 3.78Å; I55-L99 HydrophobicContact CD1-CD2 3.57Å; I55-L99 HydrophobicContact CD1-CG 3.84Å; I55-L99 HydrophobicContact CG1-CB 3.73Å; I55-L99 HydrophobicContact CG1-CD1 4.04Å; I55-L99 HydrophobicContact CG1-CD2 4.46Å; I55-L99 HydrophobicContact CG1-CG 4.24Å; I55-I102 HydrophobicContact CD1-CD1 4.11Å
56	P	57.1	Low	58.4	Low	56 Å²	56	63.2 Å²	63.2	36%	0.364	35%	0.354	S	S	.	.			trans	-58.2	145.1	-179.2	-31.3	40.6	0	0	0	113.5	D14 P58 Q59 A60	D14-P56 HydrophobicContact CB-CG 3.83Å; D14-P56 WeakPolarHBondContact O-CD 3.45Å; D14-P56 WeakPolarHBondContact O-CG 3.24Å; P56-P58 WeakPolarHBondContact O-CD 3.46Å; P56-P58 VanDerWaalsContact O-N 3.15Å; P56-Q59 PolarHBondContact O-N 3.28Å; P56-A60 PolarHBondContact O-N 3.4Å
57	S	56.7	Low	59	Low	71 Å²	71	65 Å²	65	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-60.6	-25.2	-160.3	89.5	0	0	0	0	117.6	Q59 K61	S57-Q59 VanDerWaalsContact C-N 3.26Å; S57-Q59 PolarHBondContact O-N 2.86Å; S57-K61 VanDerWaalsContact O-CG 3.32Å; S57-K61 WeakPolarHBondContact O-CG 3.33Å
58	P	57.2	Low	59.5	Low	101 Å²	101	58.9 Å²	58.9	66%	0.656	33%	0.332	S	S	*	.	H	α-helix	trans	-65.4	-34	174.7	-21.2	33	0	0	0	112	P56	P56-P58 WeakPolarHBondContact O-CD 3.46Å; P56-P58 VanDerWaalsContact O-N 3.15Å
59	Q	55.2	Low	59.9	Low	38 Å²	38	55.6 Å²	55.6	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-86.5	-40.3	-176.3	-63	174.9	18.4	0	0	110.8	L4 D14 I55 P56 S57 K61	L4-Q59 WeakPolarHBondContact CD1-O 3.39Å; D14-Q59 PolarHBondContact OD2-NE2 3.31Å; I55-Q59 HydrophobicContact CG2-CB 3.92Å; P56-Q59 PolarHBondContact O-N 3.28Å; S57-Q59 VanDerWaalsContact C-N 3.26Å; S57-Q59 PolarHBondContact O-N 2.86Å; Q59-K61 VanDerWaalsContact C-N 3.28Å; Q59-K61 PolarHBondContact O-N 2.86Å
60	A	54.6	Low	60.3	Low	9 Å²	9	58.4 Å²	58.4	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-68.8	-21.4	-175.8	0	0	0	0	0	114.5	I55 P56 D62 L63 V97 L99	I55-A60 HydrophobicContact CB-CB 4.18Å; I55-A60 HydrophobicContact CG2-CB 4.03Å; P56-A60 PolarHBondContact O-N 3.4Å; A60-D62 PolarHBondContact O-N 3.11Å; A60-L63 PolarHBondContact O-N 3.14Å; A60-L63 VanDerWaalsContact O-N 3.11Å; A60-V97 HydrophobicContact CB-CG1 3.32Å; A60-L99 HydrophobicContact CB-CD1 4.02Å
61	K	57.9	Low	60.7	Low	168 Å²	168	57.9 Å²	57.9	73%	0.73	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.8	-179.3	-84.3	176.1	-177.9	-172.1	0	113.9	S57 Q59	S57-K61 VanDerWaalsContact O-CG 3.32Å; S57-K61 WeakPolarHBondContact O-CG 3.33Å; Q59-K61 VanDerWaalsContact C-N 3.28Å; Q59-K61 PolarHBondContact O-N 2.86Å
62	D	61.1	Low	61.3	Low	101 Å²	101	58.4 Å²	58.4	54%	0.54	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-1.4	-177.3	-63	-26.6	0	0	0	112.5	L4 A60 T64	L4-D62 HydrophobicContact CD1-CB 4.2Å; A60-D62 PolarHBondContact O-N 3.11Å; D62-T64 PolarHBondContact O-N 2.96Å
63	L	63.2	Low	61.9	Low	15 Å²	15	59.7 Å²	59.7	8%	0.079	33%	0.334	C	S	.	.			trans	-92.3	97.8	-173.1	-161.8	64.9	0	0	0	111.1	L4 I55 A60 T67 F68 I71 L99	L4-L63 HydrophobicContact CD1-CB 3.59Å; L4-L63 HydrophobicContact CD1-CD1 3.77Å; L4-L63 HydrophobicContact CD1-CG 4.15Å; L4-L63 HydrophobicContact CD2-CD1 4.46Å; I55-L63 HydrophobicContact CD1-CD2 4.12Å; A60-L63 PolarHBondContact O-N 3.14Å; A60-L63 VanDerWaalsContact O-N 3.11Å; L63-T67 HydrophobicContact CD1-CG2 3.88Å; L63-F68 HydrophobicContact CD1-CB 4.23Å; L63-F68 HydrophobicContact CD2-CB 4.1Å; L63-F68 HydrophobicContact CD2-CD2 3.86Å; L63-F68 HydrophobicContact CD2-CG 4.28Å; L63-F68 HydrophobicContact CG-CB 3.97Å; L63-I71 HydrophobicContact CD1-CD1 3.97Å; L63-L99 HydrophobicContact CD2-CD1 3.76Å; L63-L99 HydrophobicContact CD2-CD2 3.26Å; L63-L99 HydrophobicContact CD2-CG 4.09Å; L63-L99 HydrophobicContact CG-CD2 4.45Å
64	T	64	Low	62.3	Low	76 Å²	76	62.5 Å²	62.5	47%	0.466	35%	0.354	S	S	.	.			trans	-72.3	155.9	170.9	67	0	0	0	0	111.1	D62 E66 T67 F68	D62-T64 PolarHBondContact O-N 2.96Å; T64-E66 PolarHBondContact O-N 2.99Å; T64-T67 PolarHBondContact O-N 3.28Å; T64-T67 WeakPolarHBondContact OG1-CB 3.16Å; T64-T67 PolarHBondContact OG1-N 2.9Å; T64-T67 PolarHBondContact OG1-OG1 3.22Å; T64-F68 WeakPolarHBondContact O-CB 3.31Å; T64-F68 PolarHBondContact O-N 3.37Å
65	A	67.4	Low	62.6	Low	57 Å²	57	59.7 Å²	59.7	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-50.8	-44.7	173.2	0	0	0	0	0	112.2	F68 T69 I94	A65-F68 PolarHBondContact O-N 2.87Å; A65-T69 WeakPolarHBondContact O-CB 3.32Å; A65-T69 PolarHBondContact O-N 3.45Å; A65-T69 PolarHBondContact O-OG1 3.1Å; A65-I94 HydrophobicContact CB-CD1 3.74Å; A65-I94 HydrophobicContact CB-CG1 4.35Å
66	E	66.9	Low	62.6	Low	153 Å²	153	60.4 Å²	60.4	72%	0.715	35%	0.35	S	S	*	.	H	α-helix	trans	-64.6	-45.6	179.2	-173.9	-179.7	-169.1	0	0	113.1	T64 F68 T69 T70	T64-E66 PolarHBondContact O-N 2.99Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 3.1Å; E66-T69 PolarHBondContact O-N 2.86Å; E66-T70 WeakPolarHBondContact O-CB 3.4Å; E66-T70 PolarHBondContact O-N 2.85Å; E66-T70 PolarHBondContact O-OG1 2.94Å
67	T	66.9	Low	63	Low	46 Å²	46	64.8 Å²	64.8	28%	0.282	36%	0.364	S	S	.	.	H	α-helix	trans	-61.9	-43.9	177.9	-55.9	0	0	0	0	110	L63 T64 T70 I71	L63-T67 HydrophobicContact CD1-CG2 3.88Å; T64-T67 PolarHBondContact O-N 3.28Å; T64-T67 WeakPolarHBondContact OG1-CB 3.16Å; T64-T67 PolarHBondContact OG1-N 2.9Å; T64-T67 PolarHBondContact OG1-OG1 3.22Å; T67-T70 WeakPolarHBondContact O-CB 3.41Å; T67-T70 PolarHBondContact O-N 3.44Å; T67-I71 HydrophobicContact CG2-CD1 4.15Å; T67-I71 WeakPolarHBondContact O-CG1 3.48Å; T67-I71 PolarHBondContact O-N 3.19Å
68	F	66.8	Low	63.2	Low	3 Å²	3	67.4 Å²	67.4	1%	0.013	37%	0.366	C	S	.	.	H	α-helix	trans	-62.2	-51	177.1	-179.5	-116.3	0	0	0	112.1	L63 T64 A65 E66 T70 I71 I72 L99 L100 T101 I102	L63-F68 HydrophobicContact CD1-CB 4.23Å; L63-F68 HydrophobicContact CD2-CB 4.1Å; L63-F68 HydrophobicContact CD2-CD2 3.86Å; L63-F68 HydrophobicContact CD2-CG 4.28Å; L63-F68 HydrophobicContact CG-CB 3.97Å; T64-F68 WeakPolarHBondContact O-CB 3.31Å; T64-F68 PolarHBondContact O-N 3.37Å; A65-F68 PolarHBondContact O-N 2.87Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 3.1Å; F68-T70 PolarHBondContact O-N 3.42Å; F68-I71 PolarHBondContact O-N 3.2Å; F68-I71 VanDerWaalsContact O-N 3.1Å; F68-I72 HydrophobicContact CD1-CG1 4.36Å; F68-I72 HydrophobicContact CD2-CD1 4.43Å; F68-I72 HydrophobicContact CD2-CG1 4.17Å; F68-I72 HydrophobicContact CE1-CG1 3.93Å; F68-I72 HydrophobicContact CE2-CD1 3.68Å; F68-I72 HydrophobicContact CE2-CG1 3.72Å; F68-I72 HydrophobicContact CG-CG1 4.48Å; F68-I72 HydrophobicContact CZ-CD1 3.78Å; F68-I72 HydrophobicContact CZ-CG1 3.59Å; F68-I72 WeakPolarHBondContact O-CG1 3.21Å; F68-I72 PolarHBondContact O-N 3.44Å; F68-L99 HydrophobicContact CB-CD2 4.37Å; F68-L99 HydrophobicContact CD1-CD2 3.95Å; F68-L99 HydrophobicContact CD2-CD2 3.15Å; F68-L99 HydrophobicContact CE1-CD2 3.97Å; F68-L99 HydrophobicContact CE2-CD2 3.2Å; F68-L99 HydrophobicContact CG-CD2 3.54Å; F68-L99 HydrophobicContact CZ-CD2 3.62Å; F68-L100 WeakPolarHBondContact CE1-O 3.43Å; F68-L100 WeakPolarHBondContact CZ-O 3.37Å; F68-T101 VanDerWaalsContact CE1-OG1 3.23Å; F68-T101 WeakPolarHBondContact CE1-OG1 3.35Å; F68-I102 HydrophobicContact CE2-CG1 4.23Å
69	T	65.8	Low	63.2	Low	42 Å²	42	62.8 Å²	62.8	26%	0.258	34%	0.336	S	S	.	.	H	α-helix	trans	-56.4	-37.1	176.1	-63.8	0	0	0	0	111.6	A65 E66 I72 N73 T92	A65-T69 WeakPolarHBondContact O-CB 3.32Å; A65-T69 PolarHBondContact O-N 3.45Å; A65-T69 PolarHBondContact O-OG1 3.1Å; E66-T69 PolarHBondContact O-N 2.86Å; T69-I72 PolarHBondContact O-N 3.38Å; T69-N73 WeakPolarHBondContact CG2-ND2 3.45Å; T69-N73 VanDerWaalsContact O-CB 3.3Å; T69-N73 WeakPolarHBondContact O-CB 3.27Å; T69-N73 PolarHBondContact O-N 3.4Å; T69-N73 PolarHBondContact O-ND2 3.18Å; T69-T92 PolarHBondContact OG1-OG1 3.31Å
70	T	66.2	Low	63.3	Low	85 Å²	85	63.5 Å²	63.5	52%	0.521	34%	0.341	S	S	.	.	H	α-helix	trans	-65.5	-45.8	176.2	-59.8	0	0	0	0	112.2	E66 T67 F68 I72 N73 S74	E66-T70 WeakPolarHBondContact O-CB 3.4Å; E66-T70 PolarHBondContact O-N 2.85Å; E66-T70 PolarHBondContact O-OG1 2.94Å; T67-T70 WeakPolarHBondContact O-CB 3.41Å; T67-T70 PolarHBondContact O-N 3.44Å; F68-T70 PolarHBondContact O-N 3.42Å; T70-I72 VanDerWaalsContact C-N 3.31Å; T70-I72 PolarHBondContact O-N 3.27Å; T70-N73 PolarHBondContact O-N 3Å; T70-S74 WeakPolarHBondContact O-CB 3.31Å; T70-S74 PolarHBondContact O-N 2.81Å
71	I	65.5	Low	63.6	Low	52 Å²	52	72 Å²	72	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-58.5	-45.8	175.3	-68.2	165.4	0	0	0	110.1	L63 T67 F68 S74 G75	L63-I71 HydrophobicContact CD1-CD1 3.97Å; T67-I71 HydrophobicContact CG2-CD1 4.15Å; T67-I71 WeakPolarHBondContact O-CG1 3.48Å; T67-I71 PolarHBondContact O-N 3.19Å; F68-I71 PolarHBondContact O-N 3.2Å; F68-I71 VanDerWaalsContact O-N 3.1Å; I71-S74 PolarHBondContact O-N 2.82Å; I71-G75 PolarHBondContact O-N 3.45Å
72	I	66.3	Low	63.6	Low	17 Å²	17	70.9 Å²	70.9	9%	0.087	37%	0.374	C	S	.	.	H	α-helix	trans	-63.2	-49.2	178.8	-63.9	-45	0	0	0	111.1	F68 T69 T70 S74 G75 I76 T92 T101	F68-I72 HydrophobicContact CD1-CG1 4.36Å; F68-I72 HydrophobicContact CD2-CD1 4.43Å; F68-I72 HydrophobicContact CD2-CG1 4.17Å; F68-I72 HydrophobicContact CE1-CG1 3.93Å; F68-I72 HydrophobicContact CE2-CD1 3.68Å; F68-I72 HydrophobicContact CE2-CG1 3.72Å; F68-I72 HydrophobicContact CG-CG1 4.48Å; F68-I72 HydrophobicContact CZ-CD1 3.78Å; F68-I72 HydrophobicContact CZ-CG1 3.59Å; F68-I72 WeakPolarHBondContact O-CG1 3.21Å; F68-I72 PolarHBondContact O-N 3.44Å; T69-I72 PolarHBondContact O-N 3.38Å; T70-I72 VanDerWaalsContact C-N 3.31Å; T70-I72 PolarHBondContact O-N 3.27Å; I72-S74 VanDerWaalsContact C-N 3.28Å; I72-S74 PolarHBondContact O-N 3.02Å; I72-G75 PolarHBondContact O-N 3.45Å; I72-G75 VanDerWaalsContact O-N 3.14Å; I72-I76 HydrophobicContact CG2-CD1 3.54Å; I72-I76 HydrophobicContact CG2-CG1 4.38Å; I72-I76 WeakPolarHBondContact O-CD1 3.39Å; I72-I76 VanDerWaalsContact O-CG1 3.31Å; I72-I76 WeakPolarHBondContact O-CG1 3.38Å; I72-I76 PolarHBondContact O-N 3.32Å; I72-T92 HydrophobicContact CG2-CG2 4.18Å; I72-T101 WeakPolarHBondContact CD1-O 3.07Å
73	N	66.9	Low	63.4	Low	75 Å²	75	68.6 Å²	68.6	40%	0.401	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-36.8	177.8	-75.9	-24.8	0	0	0	112.6	T69 T70 K77	T69-N73 WeakPolarHBondContact CG2-ND2 3.45Å; T69-N73 VanDerWaalsContact O-CB 3.3Å; T69-N73 WeakPolarHBondContact O-CB 3.27Å; T69-N73 PolarHBondContact O-N 3.4Å; T69-N73 PolarHBondContact O-ND2 3.18Å; T70-N73 PolarHBondContact O-N 3Å; N73-K77 WeakPolarHBondContact O-CB 3.17Å; N73-K77 VanDerWaalsContact O-CG 3.3Å; N73-K77 WeakPolarHBondContact O-CG 3.39Å; N73-K77 PolarHBondContact O-N 2.86Å
74	S	65.8	Low	63	Low	60 Å²	60	69.3 Å²	69.3	42%	0.42	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-47.7	173.8	-172	0	0	0	0	111.4	T70 I71 I72 I76 K77 K78	T70-S74 WeakPolarHBondContact O-CB 3.31Å; T70-S74 PolarHBondContact O-N 2.81Å; I71-S74 PolarHBondContact O-N 2.82Å; I72-S74 VanDerWaalsContact C-N 3.28Å; I72-S74 PolarHBondContact O-N 3.02Å; S74-I76 VanDerWaalsContact C-N 3.33Å; S74-I76 PolarHBondContact O-N 3.39Å; S74-K77 PolarHBondContact O-N 2.85Å; S74-K78 WeakPolarHBondContact O-CB 3.45Å; S74-K78 PolarHBondContact O-N 3.26Å
75	G	62.5	Low	62.5	Low	22 Å²	22	69.9 Å²	69.9	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-41.2	175.6	0	0	0	0	0	113	I71 I72 K78 S79	I71-G75 PolarHBondContact O-N 3.45Å; I72-G75 PolarHBondContact O-N 3.45Å; I72-G75 VanDerWaalsContact O-N 3.14Å; G75-K78 PolarHBondContact O-N 2.9Å; G75-S79 WeakPolarHBondContact O-CB 3.46Å; G75-S79 PolarHBondContact O-N 2.93Å
76	I	61	Low	61.9	Low	22 Å²	22	73.3 Å²	73.3	11%	0.113	38%	0.378	C	S	.	.	H	α-helix	trans	-65.1	-48.4	175.9	-68.2	152.5	0	0	0	111.1	I72 S74 K78 S79 D80 L87 I90	I72-I76 HydrophobicContact CG2-CD1 3.54Å; I72-I76 HydrophobicContact CG2-CG1 4.38Å; I72-I76 WeakPolarHBondContact O-CD1 3.39Å; I72-I76 VanDerWaalsContact O-CG1 3.31Å; I72-I76 WeakPolarHBondContact O-CG1 3.38Å; I72-I76 PolarHBondContact O-N 3.32Å; S74-I76 VanDerWaalsContact C-N 3.33Å; S74-I76 PolarHBondContact O-N 3.39Å; I76-K78 PolarHBondContact O-N 3.25Å; I76-S79 CarbonylContact O-C 3.5Å; I76-S79 WeakPolarHBondContact O-CB 3.38Å; I76-S79 PolarHBondContact O-N 3.09Å; I76-S79 VanDerWaalsContact O-N 3.08Å; I76-D80 PolarHBondContact O-N 2.82Å; I76-L87 HydrophobicContact CG1-CD1 4.14Å; I76-L87 HydrophobicContact CG2-CB 4.24Å; I76-L87 HydrophobicContact CG2-CD1 4.12Å; I76-I90 HydrophobicContact CD1-CD1 3.29Å; I76-I90 HydrophobicContact CD1-CG2 4.22Å; I76-I90 HydrophobicContact CG1-CD1 3.92Å; I76-I90 HydrophobicContact CG2-CD1 4.13Å
77	K	64.1	Low	61.5	Low	148 Å²	148	68.2 Å²	68.2	64%	0.643	36%	0.356	S	S	*	.	H	α-helix	trans	-58.2	-38.8	176.9	-77	176.2	-179.1	-179.7	0	111.3	N73 S74 K81	N73-K77 WeakPolarHBondContact O-CB 3.17Å; N73-K77 VanDerWaalsContact O-CG 3.3Å; N73-K77 WeakPolarHBondContact O-CG 3.39Å; N73-K77 PolarHBondContact O-N 2.86Å; S74-K77 PolarHBondContact O-N 2.85Å; K77-K81 WeakPolarHBondContact O-CG 3.23Å; K77-K81 PolarHBondContact O-N 3.35Å; K77-K81 VanDerWaalsContact O-N 3.14Å
78	K	62	Low	60.9	Low	126 Å²	126	68.7 Å²	68.7	55%	0.548	36%	0.361	S	S	.	.	H	α-helix	trans	-65.6	-43.7	174.7	-168.1	173.4	-177.6	175.7	0	111.4	S74 G75 I76 K81 Q82	S74-K78 WeakPolarHBondContact O-CB 3.45Å; S74-K78 PolarHBondContact O-N 3.26Å; G75-K78 PolarHBondContact O-N 2.9Å; I76-K78 PolarHBondContact O-N 3.25Å; K78-K81 PolarHBondContact O-N 2.78Å; K78-Q82 WeakPolarHBondContact O-CB 3.15Å; K78-Q82 WeakPolarHBondContact O-CG 3.35Å; K78-Q82 PolarHBondContact O-N 3.47Å
79	S	58	Low	60.3	Low	4 Å²	4	76 Å²	76	3%	0.028	40%	0.4	C	S	.	.	H	α-helix	trans	-63.4	-44.3	176	-171.9	0	0	0	0	112.5	G75 I76 K81 Q82 T83	G75-S79 WeakPolarHBondContact O-CB 3.46Å; G75-S79 PolarHBondContact O-N 2.93Å; I76-S79 CarbonylContact O-C 3.5Å; I76-S79 WeakPolarHBondContact O-CB 3.38Å; I76-S79 PolarHBondContact O-N 3.09Å; I76-S79 VanDerWaalsContact O-N 3.08Å; S79-K81 VanDerWaalsContact C-N 3.32Å; S79-K81 PolarHBondContact O-N 3.24Å; S79-Q82 PolarHBondContact O-N 2.81Å; S79-T83 WeakPolarHBondContact O-CB 3.46Å; S79-T83 PolarHBondContact O-N 2.97Å; S79-T83 PolarHBondContact O-OG1 2.72Å
80	D	57.2	Low	59.8	Low	53 Å²	53	77 Å²	77	28%	0.283	40%	0.403	S	S	.	.	H	α-helix	trans	-61.5	-42	178.2	-171.5	30.9	0	0	0	110.6	I76 Q82 G84 K86	I76-D80 PolarHBondContact O-N 2.82Å; D80-Q82 PolarHBondContact O-N 3.36Å; D80-G84 WeakPolarHBondContact O-CA 3.27Å; D80-G84 PolarHBondContact O-N 3.35Å; D80-K86 VanDerWaalsContact OD1-CG 3.3Å; D80-K86 WeakPolarHBondContact OD1-CG 3.29Å
81	K	59.9	Low	59.3	Low	187 Å²	187	79.6 Å²	79.6	81%	0.813	41%	0.409	S	S	*	.	H	α-helix	trans	-65.1	-37.3	174.7	-74.2	-178.1	178.7	-173.3	0	113.5	K77 K78 S79	K77-K81 WeakPolarHBondContact O-CG 3.23Å; K77-K81 PolarHBondContact O-N 3.35Å; K77-K81 VanDerWaalsContact O-N 3.14Å; K78-K81 PolarHBondContact O-N 2.78Å; S79-K81 VanDerWaalsContact C-N 3.32Å; S79-K81 PolarHBondContact O-N 3.24Å
82	Q	58	Low	58.7	Low	144 Å²	144	79 Å²	79	67%	0.673	41%	0.408	S	S	*	.	H	α-helix	trans	-83.8	-34.4	-176.2	-75.5	-174.8	-27.7	0	0	113.8	K78 S79 D80	K78-Q82 WeakPolarHBondContact O-CB 3.15Å; K78-Q82 WeakPolarHBondContact O-CG 3.35Å; K78-Q82 PolarHBondContact O-N 3.47Å; S79-Q82 PolarHBondContact O-N 2.81Å; D80-Q82 PolarHBondContact O-N 3.36Å
83	T	56	Low	57.8	Low	54 Å²	54	84 Å²	84	33%	0.331	43%	0.43	S	S	.	.	H	α-helix	trans	-113	-15.6	-170.5	65	0	0	0	0	113.2	S79 L85 I108	S79-T83 WeakPolarHBondContact O-CB 3.46Å; S79-T83 PolarHBondContact O-N 2.97Å; S79-T83 PolarHBondContact O-OG1 2.72Å; T83-L85 PolarHBondContact O-N 3.26Å; T83-L85 WeakPolarHBondContact OG1-CB 3.01Å; T83-L85 WeakPolarHBondContact OG1-CG 3.31Å; T83-L85 PolarHBondContact OG1-N 3.44Å; T83-L85 VanDerWaalsContact OG1-N 3.14Å; T83-I108 HydrophobicContact CG2-CG2 4.02Å
84	G	55.1	Low	57.1	Low	29 Å²	29	84 Å²	84	30%	0.299	43%	0.429	S	S	.	.			trans	67.1	7.9	-168.3	0	0	0	0	0	113.5	R33 D80 K86	R33-G84 PolarHBondContact NH1-O 3.13Å; D80-G84 WeakPolarHBondContact O-CA 3.27Å; D80-G84 PolarHBondContact O-N 3.35Å; G84-K86 PolarHBondContact O-N 2.91Å
85	L	53.7	Low	56.3	Low	88 Å²	88	85.8 Å²	85.8	46%	0.461	44%	0.437	S	S	.	.			trans	-82.4	105.1	178.5	-63.6	171.4	0	0	0	110.2	T83 L87 I108	T83-L85 PolarHBondContact O-N 3.26Å; T83-L85 WeakPolarHBondContact OG1-CB 3.01Å; T83-L85 WeakPolarHBondContact OG1-CG 3.31Å; T83-L85 PolarHBondContact OG1-N 3.44Å; T83-L85 VanDerWaalsContact OG1-N 3.14Å; L85-L87 PolarHBondContact O-N 2.82Å; L85-L87 VanDerWaalsContact O-N 3.1Å; L85-I108 HydrophobicContact CD1-CD1 4.09Å; L85-I108 HydrophobicContact CD1-CG1 4.39Å; L85-I108 HydrophobicContact CD1-CG2 4.43Å
86	K	56.3	Low	55.6	Low	130 Å²	130	87.2 Å²	87.2	57%	0.565	45%	0.452	S	S	*	.			trans	-75.6	96.9	170.9	-78.5	-168.3	173	-172.1	0	110.8	R30 D80 G84	R30-K86 PolarHBondContact NH1-O 3.02Å; D80-K86 VanDerWaalsContact OD1-CG 3.3Å; D80-K86 WeakPolarHBondContact OD1-CG 3.29Å; G84-K86 PolarHBondContact O-N 2.91Å
87	L	57.3	Low	55	Low	46 Å²	46	90.3 Å²	90.3	24%	0.241	47%	0.471	C	S	.	.			trans	-69.5	132.2	167.6	-60.7	168.4	0	0	0	108.8	I76 L85 I90 L104	I76-L87 HydrophobicContact CG1-CD1 4.14Å; I76-L87 HydrophobicContact CG2-CB 4.24Å; I76-L87 HydrophobicContact CG2-CD1 4.12Å; L85-L87 PolarHBondContact O-N 2.82Å; L85-L87 VanDerWaalsContact O-N 3.1Å; L87-I90 HydrophobicContact CB-CD1 3.73Å; L87-I90 HydrophobicContact CB-CG1 4.47Å; L87-L104 HydrophobicContact CD1-CB 3.94Å; L87-L104 HydrophobicContact CD1-CD1 4.18Å; L87-L104 HydrophobicContact CD2-CB 4.47Å; L87-L104 HydrophobicContact CD2-CD1 4.08Å; L87-L104 HydrophobicContact CD2-CD2 4.22Å; L87-L104 HydrophobicContact CD2-CG 4.49Å
88	S	55.4	Low	54.2	Low	56 Å²	56	86.6 Å²	86.6	39%	0.392	46%	0.461	S	S	.	.			trans	-135	164.3	176.8	87.6	0	0	0	0	109.9	R30	R30-S88 VanDerWaalsContact NH2-CB 3.32Å; R30-S88 PolarHBondContact NH2-OG 3.34Å
89	N	53.6	Low	53.6	Low	157 Å²	157	80.9 Å²	80.9	84%	0.84	44%	0.437	S	S	*	.			trans	57.9	48.7	179	-57.9	-4.6	0	0	0	113
90	I	55.8	Low	52.9	Low	61 Å²	61	83 Å²	83	31%	0.313	45%	0.447	S	S	.	.			trans	-90.7	112.1	-178.3	-55.5	170.9	0	0	0	107.8	I76 L87 T92	I76-I90 HydrophobicContact CD1-CD1 3.29Å; I76-I90 HydrophobicContact CD1-CG2 4.22Å; I76-I90 HydrophobicContact CG1-CD1 3.92Å; I76-I90 HydrophobicContact CG2-CD1 4.13Å; L87-I90 HydrophobicContact CB-CD1 3.73Å; L87-I90 HydrophobicContact CB-CG1 4.47Å; I90-T92 HydrophobicContact CG2-CG2 4.32Å
91	E	54.4	Low	52.6	Low	140 Å²	140	81.6 Å²	81.6	65%	0.654	44%	0.441	S	S	*	.			trans	-103.4	124.5	171.5	-69.5	-172.1	-165.2	0	0	109.8	K93	E91-K93 WeakPolarHBondContact OE2-CE 3.37Å; E91-K93 IonicContact OE2-NZ 3.11Å; E91-K93 PolarHBondContact OE2-NZ 3Å; E91-K93 VanDerWaalsContact OE2-NZ 3.11Å
92	T	52.6	Low	51.9	Low	40 Å²	40	75.6 Å²	75.6	25%	0.245	42%	0.417	C	S	.	.			trans	-110.3	120.7	174.6	59.7	0	0	0	0	109.2	T69 I72 I90 T101	T69-T92 PolarHBondContact OG1-OG1 3.31Å; I72-T92 HydrophobicContact CG2-CG2 4.18Å; I90-T92 HydrophobicContact CG2-CG2 4.32Å; T92-T101 WeakPolarHBondContact CG2-OG1 3.28Å
93	K	48.4	Very low	51.5	Low	123 Å²	123	69 Å²	69	54%	0.535	39%	0.387	S	S	.	.			trans	-123.6	130.1	177.4	-65.9	179	-174.6	165.4	0	109.5	E91 V95	E91-K93 WeakPolarHBondContact OE2-CE 3.37Å; E91-K93 IonicContact OE2-NZ 3.11Å; E91-K93 PolarHBondContact OE2-NZ 3Å; E91-K93 VanDerWaalsContact OE2-NZ 3.11Å; K93-V95 HydrophobicContact CB-CG2 4.42Å
94	I	51	Low	51.1	Low	75 Å²	75	68.9 Å²	68.9	39%	0.385	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114	169.9	-64	-168	0	0	0	107.6	A65	A65-I94 HydrophobicContact CB-CD1 3.74Å; A65-I94 HydrophobicContact CB-CG1 4.35Å
95	V	50.1	Low	50.8	Low	96 Å²	96	70.2 Å²	70.2	58%	0.582	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	98.4	175.7	-176.3	0	0	0	0	108.2	K93 T98	K93-V95 HydrophobicContact CB-CG2 4.42Å; V95-T98 PolarHBondContact O-OG1 3.35Å
96	G	47.8	Very low	50.3	Low	53 Å²	53	68 Å²	68	55%	0.546	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	-179.9	-171.1	0	0	0	0	0	112	T98	G96-T98 PolarHBondContact O-N 2.81Å
97	V	47.6	Very low	50.1	Low	86 Å²	86	62.9 Å²	62.9	52%	0.521	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	3.6	-179.7	-171.5	0	0	0	0	112.3	A60 L99	A60-V97 HydrophobicContact CB-CG1 3.32Å; V97-L99 PolarHBondContact O-N 3.38Å
98	T	47.1	Very low	49.6	Very low	71 Å²	71	62 Å²	62	44%	0.436	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	88.3	174.8	29.9	0	0	0	0	110.5	I53 E54 V95 G96 L100	I53-T98 CarbonylContact O-C 3.59Å; E54-T98 HydrophobicContact CB-CG2 3.88Å; E54-T98 HydrophobicContact CG-CG2 3.62Å; V95-T98 PolarHBondContact O-OG1 3.35Å; G96-T98 PolarHBondContact O-N 2.81Å; T98-L100 PolarHBondContact O-N 2.89Å
99	L	51	Low	49	Very low	5 Å²	5	67.6 Å²	67.6	3%	0.026	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	97.4	-174	-105.3	109.1	0	0	0	116.5	I53 I55 A60 L63 F68 V97	I53-L99 CarbonylContact C-O 3.58Å; I53-L99 WeakPolarHBondContact CA-O 3.46Å; I53-L99 WeakPolarHBondContact CB-O 3.05Å; I53-L99 PolarHBondContact N-O 3.26Å; I53-L99 CarbonylContact O-C 3.58Å; I53-L99 WeakPolarHBondContact O-CA 3.18Å; I53-L99 PolarHBondContact O-N 2.94Å; I55-L99 HydrophobicContact CB-CB 4.31Å; I55-L99 HydrophobicContact CB-CD1 3.91Å; I55-L99 HydrophobicContact CD1-CB 3.75Å; I55-L99 HydrophobicContact CD1-CD1 3.78Å; I55-L99 HydrophobicContact CD1-CD2 3.57Å; I55-L99 HydrophobicContact CD1-CG 3.84Å; I55-L99 HydrophobicContact CG1-CB 3.73Å; I55-L99 HydrophobicContact CG1-CD1 4.04Å; I55-L99 HydrophobicContact CG1-CD2 4.46Å; I55-L99 HydrophobicContact CG1-CG 4.24Å; A60-L99 HydrophobicContact CB-CD1 4.02Å; L63-L99 HydrophobicContact CD2-CD1 3.76Å; L63-L99 HydrophobicContact CD2-CD2 3.26Å; L63-L99 HydrophobicContact CD2-CG 4.09Å; L63-L99 HydrophobicContact CG-CD2 4.45Å; F68-L99 HydrophobicContact CB-CD2 4.37Å; F68-L99 HydrophobicContact CD1-CD2 3.95Å; F68-L99 HydrophobicContact CD2-CD2 3.15Å; F68-L99 HydrophobicContact CE1-CD2 3.97Å; F68-L99 HydrophobicContact CE2-CD2 3.2Å; F68-L99 HydrophobicContact CG-CD2 3.54Å; F68-L99 HydrophobicContact CZ-CD2 3.62Å; V97-L99 PolarHBondContact O-N 3.38Å
100	L	43.1	Very low	48.4	Very low	48 Å²	48	65.8 Å²	65.8	25%	0.251	36%	0.359	S	S	.	.			trans	-60.4	151.1	165.2	-108.9	74	0	0	0	111.8	A51 N52 F68 T98	A51-L100 WeakPolarHBondContact O-CG 3.4Å; N52-L100 HydrophobicContact CB-CD1 3.88Å; N52-L100 HydrophobicContact CB-CG 4.42Å; N52-L100 VanDerWaalsContact OD1-CD1 3.29Å; N52-L100 WeakPolarHBondContact OD1-CD1 3.23Å; F68-L100 WeakPolarHBondContact CE1-O 3.43Å; F68-L100 WeakPolarHBondContact CZ-O 3.37Å; T98-L100 PolarHBondContact O-N 2.89Å
101	T	50.4	Low	47.8	Very low	25 Å²	25	65.8 Å²	65.8	15%	0.153	36%	0.364	C	S	.	.			trans	87.4	34	166.1	60.6	0	0	0	0	127.7	A51 I53 F68 I72 T92 I103	A51-T101 PolarHBondContact O-N 3.32Å; I53-T101 VanDerWaalsContact CD1-CA 3.45Å; F68-T101 VanDerWaalsContact CE1-OG1 3.23Å; F68-T101 WeakPolarHBondContact CE1-OG1 3.35Å; I72-T101 WeakPolarHBondContact CD1-O 3.07Å; T92-T101 WeakPolarHBondContact CG2-OG1 3.28Å; T101-I103 VanDerWaalsContact C-N 3.31Å
102	I	45.7	Very low	47.3	Very low	61 Å²	61	64.4 Å²	64.4	31%	0.313	36%	0.358	S	S	.	.			trans	-79.8	-0.8	157.8	-47.2	-172.3	0	0	0	113.6	A15 I53 I55 F68	A15-I102 HydrophobicContact CB-CD1 4.02Å; I53-I102 HydrophobicContact CB-CD1 4.49Å; I53-I102 HydrophobicContact CB-CG1 4.25Å; I53-I102 HydrophobicContact CD1-CB 4.01Å; I53-I102 HydrophobicContact CD1-CG1 4.12Å; I53-I102 HydrophobicContact CG1-CB 3.88Å; I53-I102 HydrophobicContact CG1-CG1 3.95Å; I53-I102 HydrophobicContact CG2-CD1 3.79Å; I53-I102 HydrophobicContact CG2-CG1 4.08Å; I55-I102 HydrophobicContact CD1-CD1 4.11Å; F68-I102 HydrophobicContact CE2-CG1 4.23Å
103	I	49.3	Very low	46.8	Very low	6 Å²	6	70.9 Å²	70.9	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-85.1	-23.7	-150.3	-82.3	165.3	0	0	0	117	C17 V20 A51 N52 I53 T101 V105 I107	C17-I103 HydrophobicContact CB-CD1 4.06Å; C17-I103 HydrophobicContact CB-CG1 4.06Å; C17-I103 WeakPolarHBondContact SG-CD1 3.37Å; C17-I103 WeakPolarHBondContact SG-CG1 3.29Å; V20-I103 HydrophobicContact CG1-CG2 4.21Å; V20-I103 HydrophobicContact CG2-CD1 3.97Å; V20-I103 HydrophobicContact CG2-CG1 4.35Å; V20-I103 HydrophobicContact CG2-CG2 3.98Å; A51-I103 HydrophobicContact CB-CB 3.26Å; A51-I103 HydrophobicContact CB-CD1 3.22Å; A51-I103 HydrophobicContact CB-CG1 3.73Å; A51-I103 HydrophobicContact CB-CG2 3.33Å; N52-I103 VanDerWaalsContact O-CD1 3.27Å; N52-I103 WeakPolarHBondContact O-CD1 3.44Å; I53-I103 HydrophobicContact CD1-CB 4.45Å; I53-I103 HydrophobicContact CD1-CD1 3.44Å; I53-I103 VanDerWaalsContact CD1-CD1 3.44Å; I53-I103 HydrophobicContact CD1-CG1 3.64Å; I53-I103 HydrophobicContact CG1-CD1 3.72Å; I53-I103 HydrophobicContact CG1-CG1 3.88Å; T101-I103 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 3.23Å; I103-I107 HydrophobicContact CB-CD1 4.35Å; I103-I107 HydrophobicContact CG2-CD1 3.02Å; I103-I107 HydrophobicContact CG2-CG1 3.71Å; I103-I107 WeakPolarHBondContact O-CB 2.96Å; I103-I107 VanDerWaalsContact O-CD1 3.28Å; I103-I107 WeakPolarHBondContact O-CD1 3.35Å; I103-I107 WeakPolarHBondContact O-CG1 3.35Å; I103-I107 PolarHBondContact O-N 3.43Å
104	L	47.7	Very low	46.2	Very low	50 Å²	50	72.3 Å²	72.3	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-70.7	-38.4	-174	-72.8	163.7	0	0	0	113.3	L87 I108	L87-L104 HydrophobicContact CD1-CB 3.94Å; L87-L104 HydrophobicContact CD1-CD1 4.18Å; L87-L104 HydrophobicContact CD2-CB 4.47Å; L87-L104 HydrophobicContact CD2-CD1 4.08Å; L87-L104 HydrophobicContact CD2-CD2 4.22Å; L87-L104 HydrophobicContact CD2-CG 4.49Å; L104-I108 VanDerWaalsContact O-CD1 3.32Å; L104-I108 WeakPolarHBondContact O-CD1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3.02Å; L104-I108 VanDerWaalsContact O-N 3.1Å
105	V	47.8	Very low	45.7	Very low	58 Å²	58	74.4 Å²	74.4	35%	0.352	39%	0.392	S	S	.	.	H	α-helix	trans	-72.3	-41.2	-179.9	-173.6	0	0	0	0	111.4	I103 I108 Y109	I103-V105 PolarHBondContact O-N 3.23Å; V105-I108 PolarHBondContact O-N 3.22Å; V105-Y109 PolarHBondContact O-N 2.8Å
106	G	44.1	Very low	45.2	Very low	40 Å²	40	72.5 Å²	72.5	41%	0.412	38%	0.383	S	S	.	.	H	α-helix	trans	-67.2	-39.8	179	0	0	0	0	0	113.1	Y109 M110	G106-Y109 PolarHBondContact O-N 3.08Å; G106-M110 WeakPolarHBondContact O-CB 3.26Å; G106-M110 PolarHBondContact O-N 2.9Å
107	I	51.3	Low	44.5	Very low	23 Å²	23	73.9 Å²	73.9	12%	0.118	38%	0.381	C	S	.	.	H	α-helix	trans	-58.9	-51.8	170	-74	162.5	0	0	0	110.3	V20 F22 I103 Y109 M110 C111	V20-I107 HydrophobicContact CG1-CD1 3.57Å; V20-I107 HydrophobicContact CG1-CG1 3.94Å; F22-I107 HydrophobicContact CE1-CD1 3.61Å; F22-I107 HydrophobicContact CE1-CG1 4.38Å; F22-I107 HydrophobicContact CE1-CG2 3.68Å; F22-I107 HydrophobicContact CE2-CD1 4.38Å; F22-I107 HydrophobicContact CZ-CB 4.15Å; F22-I107 HydrophobicContact CZ-CD1 3.33Å; F22-I107 HydrophobicContact CZ-CG1 3.73Å; F22-I107 HydrophobicContact CZ-CG2 3.33Å; I103-I107 HydrophobicContact CB-CD1 4.35Å; I103-I107 HydrophobicContact CG2-CD1 3.02Å; I103-I107 HydrophobicContact CG2-CG1 3.71Å; I103-I107 WeakPolarHBondContact O-CB 2.96Å; I103-I107 VanDerWaalsContact O-CD1 3.28Å; I103-I107 WeakPolarHBondContact O-CD1 3.35Å; I103-I107 WeakPolarHBondContact O-CG1 3.35Å; I103-I107 PolarHBondContact O-N 3.43Å; I107-Y109 PolarHBondContact O-N 3.31Å; I107-M110 PolarHBondContact O-N 3.41Å; I107-M110 VanDerWaalsContact O-N 3.13Å; I107-C111 VanDerWaalsContact O-CB 3.23Å; I107-C111 WeakPolarHBondContact O-CB 3.4Å; I107-C111 PolarHBondContact O-N 3.18Å
108	I	46.9	Very low	43.7	Very low	29 Å²	29	75 Å²	75	15%	0.149	38%	0.383	C	S	.	.	H	α-helix	trans	-58.9	-40.7	-175.3	-70.3	164.4	0	0	0	109.6	T83 L85 L104 V105 H112	T83-I108 HydrophobicContact CG2-CG2 4.02Å; L85-I108 HydrophobicContact CD1-CD1 4.09Å; L85-I108 HydrophobicContact CD1-CG1 4.39Å; L85-I108 HydrophobicContact CD1-CG2 4.43Å; L104-I108 VanDerWaalsContact O-CD1 3.32Å; L104-I108 WeakPolarHBondContact O-CD1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3.02Å; L104-I108 VanDerWaalsContact O-N 3.1Å; V105-I108 PolarHBondContact O-N 3.22Å; I108-H112 WeakPolarHBondContact O-CB 2.9Å; I108-H112 PolarHBondContact O-N 2.86Å
109	Y	43.7	Very low	42.9	Very low	173 Å²	173	76.7 Å²	76.7	68%	0.678	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-46.2	175.3	-169.7	-98.4	0	0	0	113.1	V105 G106 I107 H112 R113	V105-Y109 PolarHBondContact O-N 2.8Å; G106-Y109 PolarHBondContact O-N 3.08Å; I107-Y109 PolarHBondContact O-N 3.31Å; Y109-H112 PolarHBondContact O-N 3.04Å; Y109-R113 PolarHBondContact O-N 3.25Å
110	M	41.3	Very low	42	Very low	118 Å²	118	82.1 Å²	82.1	58%	0.581	42%	0.416	S	S	*	.	H	α-helix	trans	-69.9	-37.9	178.4	-81	-71.6	-159.6	0	0	113.1	G106 I107 H112 R113 K114	G106-M110 WeakPolarHBondContact O-CB 3.26Å; G106-M110 PolarHBondContact O-N 2.9Å; I107-M110 PolarHBondContact O-N 3.41Å; I107-M110 VanDerWaalsContact O-N 3.13Å; M110-H112 VanDerWaalsContact C-N 3.31Å; M110-R113 PolarHBondContact O-N 3.11Å; M110-K114 PolarHBondContact O-N 2.94Å
111	C	41.7	Very low	41.4	Very low	62 Å²	62	84.4 Å²	84.4	42%	0.419	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-39.7	172.6	-81.6	0	0	0	0	110.5	I107 Q115	I107-C111 VanDerWaalsContact O-CB 3.23Å; I107-C111 WeakPolarHBondContact O-CB 3.4Å; I107-C111 PolarHBondContact O-N 3.18Å; C111-Q115 VanDerWaalsContact O-CB 3.29Å; C111-Q115 WeakPolarHBondContact O-CB 2.97Å; C111-Q115 WeakPolarHBondContact O-CG 3.33Å; C111-Q115 PolarHBondContact O-N 3.01Å
112	H	43.7	Very low	40.7	Very low	111 Å²	111	93 Å²	93	51%	0.514	46%	0.458	S	S	.	.	H	α-helix	trans	-65.7	-44.5	171.5	-103.5	-82.4	0	0	0	112.2	I108 Y109 M110 K114 Q115 S116	I108-H112 WeakPolarHBondContact O-CB 2.9Å; I108-H112 PolarHBondContact O-N 2.86Å; Y109-H112 PolarHBondContact O-N 3.04Å; M110-H112 VanDerWaalsContact C-N 3.31Å; H112-K114 VanDerWaalsContact C-N 3.31Å; H112-K114 PolarHBondContact O-N 2.72Å; H112-Q115 PolarHBondContact O-N 3.27Å; H112-S116 VanDerWaalsContact O-CB 3.31Å; H112-S116 WeakPolarHBondContact O-CB 3.36Å; H112-S116 PolarHBondContact O-N 2.77Å; H112-S116 PolarHBondContact O-OG 3.34Å; H112-S116 VanDerWaalsContact O-OG 3.09Å
113	R	42	Very low	40.4	Very low	176 Å²	176	93.7 Å²	93.7	66%	0.664	47%	0.474	S	S	*	.	H	α-helix	trans	-58.5	-44.9	178	-164.2	178.6	-177.2	-169.3	1.3	111.1	Y109 M110 T117	Y109-R113 PolarHBondContact O-N 3.25Å; M110-R113 PolarHBondContact O-N 3.11Å; R113-T117 PolarHBondContact O-N 2.89Å; R113-T117 VanDerWaalsContact O-N 3.08Å; R113-T117 PolarHBondContact O-OG1 3.08Å
114	K	36.4	Very low	40	Very low	153 Å²	153	103.6 Å²	103.6	67%	0.665	51%	0.51	S	S	*	.	H	α-helix	trans	-72.4	-39.3	177.9	-75.5	-164.1	174.6	-171.9	0	113.9	M110 H112 T117 L118	M110-K114 PolarHBondContact O-N 2.94Å; H112-K114 VanDerWaalsContact C-N 3.31Å; H112-K114 PolarHBondContact O-N 2.72Å; K114-T117 PolarHBondContact O-N 3.3Å; K114-L118 WeakPolarHBondContact O-CB 3.1Å; K114-L118 PolarHBondContact O-N 3.27Å
115	Q	41.8	Very low	39.7	Very low	118 Å²	118	107.1 Å²	107.1	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-66.6	-39.3	175.4	-77.9	-168	6.7	0	0	111.4	C111 H112 T117 L118 I119	C111-Q115 VanDerWaalsContact O-CB 3.29Å; C111-Q115 WeakPolarHBondContact O-CB 2.97Å; C111-Q115 WeakPolarHBondContact O-CG 3.33Å; C111-Q115 PolarHBondContact O-N 3.01Å; H112-Q115 PolarHBondContact O-N 3.27Å; Q115-T117 VanDerWaalsContact C-N 3.33Å; Q115-T117 PolarHBondContact O-N 2.89Å; Q115-L118 CarbonylContact O-C 2.98Å; Q115-L118 PolarHBondContact O-N 3.5Å; Q115-I119 WeakPolarHBondContact O-CB 3.08Å; Q115-I119 WeakPolarHBondContact O-CD1 3.32Å; Q115-I119 WeakPolarHBondContact O-CG1 3.32Å; Q115-I119 PolarHBondContact O-N 3.07Å
116	S	38.9	Very low	39.1	Very low	56 Å²	56	111 Å²	111	39%	0.392	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-38.3	172.9	-64.8	0	0	0	0	111.9	H112 I119 I120	H112-S116 VanDerWaalsContact O-CB 3.31Å; H112-S116 WeakPolarHBondContact O-CB 3.36Å; H112-S116 PolarHBondContact O-N 2.77Å; H112-S116 PolarHBondContact O-OG 3.34Å; H112-S116 VanDerWaalsContact O-OG 3.09Å; S116-I119 PolarHBondContact O-N 2.93Å; S116-I120 VanDerWaalsContact O-CG1 3.27Å; S116-I120 WeakPolarHBondContact O-CG1 3.41Å; S116-I120 PolarHBondContact O-N 2.87Å
117	T	33.3	Very low	38.9	Very low	82 Å²	82	118.2 Å²	118.2	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-64.4	-42.5	172.6	-45.2	0	0	0	0	111.8	R113 K114 Q115 I120 D121	R113-T117 PolarHBondContact O-N 2.89Å; R113-T117 VanDerWaalsContact O-N 3.08Å; R113-T117 PolarHBondContact O-OG1 3.08Å; K114-T117 PolarHBondContact O-N 3.3Å; Q115-T117 VanDerWaalsContact C-N 3.33Å; Q115-T117 PolarHBondContact O-N 2.89Å; T117-I120 PolarHBondContact O-N 3.4Å; T117-D121 PolarHBondContact O-N 3.05Å
118	L	29.6	Very low	38.3	Very low	110 Å²	110	123 Å²	123	58%	0.576	61%	0.61	S	S	*	*	H	α-helix	trans	-68.5	-31.8	176.9	-92.6	152.3	0	0	0	113.6	K114 Q115 R122	K114-L118 WeakPolarHBondContact O-CB 3.1Å; K114-L118 PolarHBondContact O-N 3.27Å; Q115-L118 CarbonylContact O-C 2.98Å; Q115-L118 PolarHBondContact O-N 3.5Å; L118-R122 WeakPolarHBondContact O-CB 3.41Å; L118-R122 PolarHBondContact O-N 3.28Å
119	I	31.6	Very low	37.9	Very low	107 Å²	107	127.9 Å²	127.9	55%	0.549	63%	0.634	S	S	.	*	H	α-helix	trans	-73.4	-37.6	175.7	-69.1	163.6	0	0	0	110.2	Q115 S116 D121 R122 A123	Q115-I119 WeakPolarHBondContact O-CB 3.08Å; Q115-I119 WeakPolarHBondContact O-CD1 3.32Å; Q115-I119 WeakPolarHBondContact O-CG1 3.32Å; Q115-I119 PolarHBondContact O-N 3.07Å; S116-I119 PolarHBondContact O-N 2.93Å; I119-D121 VanDerWaalsContact C-N 3.35Å; I119-R122 PolarHBondContact O-N 3.23Å; I119-A123 WeakPolarHBondContact O-CB 3.17Å; I119-A123 PolarHBondContact O-N 3.3Å
120	I	32	Very low	37.6	Very low	119 Å²	119	125.4 Å²	125.4	61%	0.61	63%	0.632	S	S	*	*	H	α-helix	trans	-65.6	-39.9	173.2	-65.7	168.7	0	0	0	110.5	S116 T117 R124	S116-I120 VanDerWaalsContact O-CG1 3.27Å; S116-I120 WeakPolarHBondContact O-CG1 3.41Å; S116-I120 PolarHBondContact O-N 2.87Å; T117-I120 PolarHBondContact O-N 3.4Å; I120-R124 PolarHBondContact O-N 3.39Å
121	D	30.7	Very low	37.3	Very low	96 Å²	96	125.8 Å²	125.8	51%	0.513	64%	0.635	S	S	.	*	H	α-helix	trans	-67.6	-41.7	175.2	-105.4	-24.7	0	0	0	112.5	T117 I119 R124 I125	T117-D121 PolarHBondContact O-N 3.05Å; I119-D121 VanDerWaalsContact C-N 3.35Å; D121-R124 PolarHBondContact O-N 2.87Å; D121-I125 WeakPolarHBondContact O-CG1 3.32Å; D121-I125 PolarHBondContact O-N 2.85Å
122	R	35.4	Very low	37.1	Very low	204 Å²	204	129.8 Å²	129.8	77%	0.77	65%	0.648	S	S	*	*	H	α-helix	trans	-67.8	-36.1	175.4	-91.2	-172.4	174.9	162.4	-0.7	113.2	L118 I119 R124 I125	L118-R122 WeakPolarHBondContact O-CB 3.41Å; L118-R122 PolarHBondContact O-N 3.28Å; I119-R122 PolarHBondContact O-N 3.23Å; R122-R124 PolarHBondContact O-N 2.88Å; R122-I125 PolarHBondContact O-N 3.29Å
123	A	39.2	Very low	36.6	Very low	77 Å²	77	131.1 Å²	131.1	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-68.2	-18.6	175.9	0	0	0	0	0	112.6	I119	I119-A123 WeakPolarHBondContact O-CB 3.17Å; I119-A123 PolarHBondContact O-N 3.3Å
124	R	41.6	Very low	36.2	Very low	213 Å²	213	127.9 Å²	127.9	80%	0.804	66%	0.657	S	S	*	*	H	α-helix	trans	-89.6	-10.7	175.7	-148.8	-179.9	-131.8	-171.8	2.4	114	I120 D121 R122	I120-R124 PolarHBondContact O-N 3.39Å; D121-R124 PolarHBondContact O-N 2.87Å; R122-R124 PolarHBondContact O-N 2.88Å
125	I	41.5	Very low	36.2	Very low	124 Å²	124	125.9 Å²	125.9	64%	0.636	66%	0.656	S	S	*	*	S	Bend	trans	-103.5	2	-175.5	-62.7	169.2	0	0	0	112.8	D121 R122	D121-I125 WeakPolarHBondContact O-CG1 3.32Å; D121-I125 PolarHBondContact O-N 2.85Å; R122-I125 PolarHBondContact O-N 3.29Å
126	N	34.2	Very low	35.8	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	67%	0.665	S	S	*	*			trans	-119.5	91.9	168.9	-101.8	-26.7	0	0	0	110.7
127	P	41	Very low	35.5	Very low	190 Å²	190	133 Å²	133	100%	1.234	69%	0.69	S	S	*	*			trans	-63.7	0	153.5	29.7	-33.1	0	0	0	111.9

Retrieved 127 of 127 residues in 408.2 ms (Link to these results)

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