C4QTL1_SCHMA Loading...

CARD domain-containing protein

AlphaFold DB , UniProt , Accession C4QTL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 aa.

						>C4QTL1_SCHMA|C4QTL1
MFTSRNLFSIFVKDRLLHLVAFMRIYLFTCCYGARYIGHSLSLLSTRVRKRIPVRSHKSERNIVISSVLERLIDSNHFTDRQVNDKIYYTIHPNLLKFFLNQLLETEEALLILEMKPKLRVQKKYVLSLSST
					

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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	34	Very low	36.9	Very low	230 Å²	230	153.3 Å²	153.3	100%	1.133	77%	0.766	S	S	*	*				0	92.3	0	-167.5	176.7	-179.3	0	0	107.5	T3	M1-T3 PolarHBondContact O-N 3.44Å
2	F	32.1	Very low	37.4	Very low	218 Å²	218	146 Å²	146	96%	0.956	74%	0.735	S	S	*	*			trans	-84.7	111.2	-177.3	-76.6	-81.7	0	0	0	109.4	S4	F2-S4 PolarHBondContact O-N 3.5Å
3	T	37.1	Very low	37.6	Very low	112 Å²	112	146.4 Å²	146.4	69%	0.687	73%	0.729	S	S	*	*			trans	-83.6	111.3	175.4	56.3	0	0	0	0	109.1	M1 R5	M1-T3 PolarHBondContact O-N 3.44Å; T3-R5 PolarHBondContact O-N 2.89Å
4	S	41	Very low	37.8	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	71%	0.713	S	S	*	*			trans	-75.3	64.7	172.3	63.1	0	0	0	0	110.7	F2 N6	F2-S4 PolarHBondContact O-N 3.5Å; S4-N6 PolarHBondContact O-N 3.14Å; S4-N6 VanDerWaalsContact O-N 3.14Å
5	R	35	Very low	38.1	Very low	209 Å²	209	145.3 Å²	145.3	79%	0.789	71%	0.712	S	S	*	*			trans	-75.7	103.3	165.1	-82.4	-172.1	179.2	-179.8	1.1	107.4	T3 L7	T3-R5 PolarHBondContact O-N 2.89Å; R5-L7 PolarHBondContact O-N 3.27Å
6	N	38.1	Very low	38.4	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	70%	0.699	S	S	*	*			trans	-66.9	52	-179	-120.3	-25.5	0	0	0	112.4	S4 F8 S9	S4-N6 PolarHBondContact O-N 3.14Å; S4-N6 VanDerWaalsContact O-N 3.14Å; N6-F8 PolarHBondContact O-N 2.76Å; N6-S9 PolarHBondContact O-N 3.42Å
7	L	36.6	Very low	38.6	Very low	145 Å²	145	137.1 Å²	137.1	76%	0.759	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-9.8	175.9	-72.2	170.2	0	0	0	112.5	R5 S9	R5-L7 PolarHBondContact O-N 3.27Å; L7-S9 VanDerWaalsContact C-N 3.35Å
8	F	33.3	Very low	39.1	Very low	166 Å²	166	136.3 Å²	136.3	73%	0.728	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-10.2	176.2	-77.2	-80.4	0	0	0	114.3	N6 V12	N6-F8 PolarHBondContact O-N 2.76Å; F8-V12 HydrophobicContact CD1-CG2 4.37Å
9	S	41.6	Very low	39.5	Very low	72 Å²	72	135.9 Å²	135.9	50%	0.503	67%	0.669	S	S	.	*	S	Bend	trans	-83	-17.8	-163.5	-172.8	0	0	0	0	116.4	N6 L7	N6-S9 PolarHBondContact O-N 3.42Å; L7-S9 VanDerWaalsContact C-N 3.35Å
10	I	41.6	Very low	40	Very low	123 Å²	123	129.7 Å²	129.7	63%	0.631	64%	0.638	S	S	*	*	S	Bend	trans	-119.4	-46.2	-172.3	-58.1	177	0	0	0	112.1	V12	I10-V12 PolarHBondContact O-N 3.49Å
11	F	36.2	Very low	40.7	Very low	160 Å²	160	124.3 Å²	124.3	70%	0.702	62%	0.615	S	S	*	*	H	α-helix	trans	-74.8	-30.6	-173.5	-80.3	-80.3	0	0	0	115.1
12	V	42.3	Very low	42	Very low	66 Å²	66	114.4 Å²	114.4	40%	0.4	57%	0.566	S	S	.	*	H	α-helix	trans	-82.6	-36.7	-177.4	178.6	0	0	0	0	111.1	F8 I10 D14 L16	F8-V12 HydrophobicContact CD1-CG2 4.37Å; I10-V12 PolarHBondContact O-N 3.49Å; V12-D14 PolarHBondContact O-N 2.99Å; V12-L16 HydrophobicContact CG1-CD1 3.35Å; V12-L16 WeakPolarHBondContact O-CB 3.43Å; V12-L16 PolarHBondContact O-N 3.47Å
13	K	39.7	Very low	43.5	Very low	151 Å²	151	105.2 Å²	105.2	66%	0.657	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-46.2	-174.4	-157.7	177.4	-179.3	-177.3	0	111.3	L17	K13-L17 VanDerWaalsContact O-CG 3.29Å; K13-L17 WeakPolarHBondContact O-CG 3.15Å; K13-L17 PolarHBondContact O-N 3.26Å
14	D	41.3	Very low	44.9	Very low	95 Å²	95	101.6 Å²	101.6	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-74.8	-38.2	-178.3	-69.1	-25.5	0	0	0	112.7	V12 L16 L17 H18	V12-D14 PolarHBondContact O-N 2.99Å; D14-L16 PolarHBondContact O-N 3.45Å; D14-L17 PolarHBondContact O-N 3.08Å; D14-H18 PolarHBondContact O-CD2 3.31Å; D14-H18 VanDerWaalsContact O-CD2 3.25Å; D14-H18 PolarHBondContact O-N 3.25Å
15	R	41.1	Very low	46.2	Very low	182 Å²	182	96.3 Å²	96.3	69%	0.687	46%	0.462	S	S	*	.	H	α-helix	trans	-68.2	-35.5	177.7	-72.7	-168.4	178.1	-165.5	1.3	112.9	L17 H18 L19	R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.2Å; R15-H18 PolarHBondContact O-N 3.32Å; R15-L19 WeakPolarHBondContact O-CG 3.48Å; R15-L19 PolarHBondContact O-N 3.36Å
16	L	43.6	Very low	48	Very low	99 Å²	99	87.8 Å²	87.8	52%	0.518	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-40.4	174.3	-109.2	117.5	0	0	0	111.4	V12 D14 H18 L19 V20	V12-L16 HydrophobicContact CG1-CD1 3.35Å; V12-L16 WeakPolarHBondContact O-CB 3.43Å; V12-L16 PolarHBondContact O-N 3.47Å; D14-L16 PolarHBondContact O-N 3.45Å; L16-H18 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 3.29Å; L16-L19 VanDerWaalsContact O-N 3.08Å; L16-V20 HydrophobicContact CD2-CG2 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.29Å; L16-V20 PolarHBondContact O-N 3.47Å
17	L	41.8	Very low	49.5	Very low	52 Å²	52	82.6 Å²	82.6	27%	0.272	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-28.5	-179.1	-62	168.8	0	0	0	112.8	K13 D14 R15 L44 S45	K13-L17 VanDerWaalsContact O-CG 3.29Å; K13-L17 WeakPolarHBondContact O-CG 3.15Å; K13-L17 PolarHBondContact O-N 3.26Å; D14-L17 PolarHBondContact O-N 3.08Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.2Å; L17-L44 HydrophobicContact CB-CD2 4.23Å; L17-L44 HydrophobicContact CD2-CD2 3.2Å; L17-L44 HydrophobicContact CD2-CG 4.28Å; L17-L44 HydrophobicContact CG-CD2 4.23Å; L17-L44 WeakPolarHBondContact O-CB 3.39Å; L17-S45 PolarHBondContact O-N 3.49Å
18	H	47.4	Very low	51.2	Low	123 Å²	123	76 Å²	76	57%	0.569	37%	0.368	S	S	*	.	H	α-helix	trans	-80	-24.8	176.9	-78.9	-77	0	0	0	113.7	D14 R15 L16	D14-H18 PolarHBondContact O-CD2 3.31Å; D14-H18 VanDerWaalsContact O-CD2 3.25Å; D14-H18 PolarHBondContact O-N 3.25Å; R15-H18 PolarHBondContact O-N 3.32Å; L16-H18 PolarHBondContact O-N 3.41Å
19	L	46.6	Very low	53.1	Low	128 Å²	128	70.9 Å²	70.9	67%	0.67	35%	0.35	S	S	*	.	H	α-helix	trans	-93.1	-21	-173.4	-69.7	170.5	0	0	0	113.7	R15 L16 A21 P93	R15-L19 WeakPolarHBondContact O-CG 3.48Å; R15-L19 PolarHBondContact O-N 3.36Å; L16-L19 PolarHBondContact O-N 3.29Å; L16-L19 VanDerWaalsContact O-N 3.08Å; L19-A21 PolarHBondContact O-N 3.09Å; L19-P93 VanDerWaalsContact O-CG 3.31Å; L19-P93 WeakPolarHBondContact O-CG 3.22Å
20	V	49.3	Very low	54.7	Low	11 Å²	11	67.7 Å²	67.7	7%	0.067	33%	0.327	C	S	.	.			trans	-86.7	78.2	180	-151.2	0	0	0	0	111.5	L16 F22 L44 H92 P93	L16-V20 HydrophobicContact CD2-CG2 4.45Å; L16-V20 WeakPolarHBondContact O-CG2 3.29Å; L16-V20 PolarHBondContact O-N 3.47Å; V20-F22 HydrophobicContact CB-CD2 4.2Å; V20-F22 HydrophobicContact CB-CE2 3.56Å; V20-F22 HydrophobicContact CB-CZ 4.06Å; V20-F22 HydrophobicContact CG1-CD1 4.27Å; V20-F22 HydrophobicContact CG1-CD2 3.74Å; V20-F22 HydrophobicContact CG1-CE1 3.73Å; V20-F22 HydrophobicContact CG1-CE2 3.07Å; V20-F22 HydrophobicContact CG1-CG 4.35Å; V20-F22 HydrophobicContact CG1-CZ 3.13Å; V20-F22 VanDerWaalsContact O-CD2 3.24Å; V20-F22 WeakPolarHBondContact O-CD2 3.43Å; V20-F22 PolarHBondContact O-N 2.77Å; V20-L44 HydrophobicContact CB-CB 4.42Å; V20-L44 WeakPolarHBondContact O-CB 3.33Å; V20-L44 PolarHBondContact O-N 3.03Å; V20-H92 VanDerWaalsContact CG1-CE1 3.43Å; V20-H92 WeakPolarHBondContact CG1-CE1 3.31Å; V20-P93 HydrophobicContact CG1-CG 3.96Å
21	A	55.9	Low	56.1	Low	18 Å²	18	65.2 Å²	65.2	15%	0.149	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	117.2	162.5	0	0	0	0	0	109.6	L19 L41 L43 P93	L19-A21 PolarHBondContact O-N 3.09Å; A21-L41 HydrophobicContact CB-CD1 4Å; A21-L41 HydrophobicContact CB-CG 4.33Å; A21-L43 HydrophobicContact CB-CD2 3.85Å; A21-P93 HydrophobicContact CB-CB 4.27Å; A21-P93 HydrophobicContact CB-CG 4.5Å; A21-P93 WeakPolarHBondContact O-CB 3.5Å; A21-P93 WeakPolarHBondContact O-CD 3.4Å; A21-P93 WeakPolarHBondContact O-CG 3.47Å
22	F	60.7	Low	58	Low	22 Å²	22	65.7 Å²	65.7	10%	0.096	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.5	173.4	-67.5	-83.1	0	0	0	108.9	V20 S42 L44 R47 T90 H92	V20-F22 HydrophobicContact CB-CD2 4.2Å; V20-F22 HydrophobicContact CB-CE2 3.56Å; V20-F22 HydrophobicContact CB-CZ 4.06Å; V20-F22 HydrophobicContact CG1-CD1 4.27Å; V20-F22 HydrophobicContact CG1-CD2 3.74Å; V20-F22 HydrophobicContact CG1-CE1 3.73Å; V20-F22 HydrophobicContact CG1-CE2 3.07Å; V20-F22 HydrophobicContact CG1-CG 4.35Å; V20-F22 HydrophobicContact CG1-CZ 3.13Å; V20-F22 VanDerWaalsContact O-CD2 3.24Å; V20-F22 WeakPolarHBondContact O-CD2 3.43Å; V20-F22 PolarHBondContact O-N 2.77Å; F22-S42 PolarHBondContact N-O 3.02Å; F22-S42 PolarHBondContact O-N 3.38Å; F22-L44 HydrophobicContact CD2-CB 4.4Å; F22-L44 HydrophobicContact CD2-CD1 4.05Å; F22-L44 HydrophobicContact CE2-CB 4.24Å; F22-L44 HydrophobicContact CE2-CD1 3.47Å; F22-L44 VanDerWaalsContact CE2-CD1 3.47Å; F22-L44 HydrophobicContact CE2-CG 4.39Å; F22-L44 HydrophobicContact CZ-CD1 4.44Å; F22-R47 VanDerWaalsContact CG-NH2 3.33Å; F22-T90 HydrophobicContact CB-CG2 4.16Å; F22-T90 HydrophobicContact CD1-CG2 3.12Å; F22-T90 HydrophobicContact CE1-CG2 3.65Å; F22-T90 HydrophobicContact CG-CG2 3.95Å; F22-H92 AromaticContact CE1-CD2 3.71Å
23	M	64	Low	59.5	Low	25 Å²	25	64.8 Å²	64.8	12%	0.123	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.3	170.4	-160.8	138.1	165.8	0	0	109.5	H39 S40 L41 L104	M23-H39 HydrophobicContact CE-CB 3.91Å; M23-H39 WeakPolarHBondContact CE-CD2 3.29Å; M23-S40 WeakPolarHBondContact CA-O 3.5Å; M23-L41 HydrophobicContact CB-CD1 4.1Å; M23-L41 HydrophobicContact CG-CD1 4.45Å; M23-L41 HydrophobicContact SD-CB 4.48Å; M23-L41 HydrophobicContact SD-CD1 4.05Å; M23-L104 HydrophobicContact CB-CD1 4.4Å; M23-L104 HydrophobicContact CB-CD2 3.85Å; M23-L104 HydrophobicContact CE-CD1 3.54Å; M23-L104 HydrophobicContact CE-CD2 3.97Å; M23-L104 HydrophobicContact CE-CG 4.26Å; M23-L104 HydrophobicContact CG-CD1 4Å; M23-L104 HydrophobicContact CG-CD2 3.48Å; M23-L104 VanDerWaalsContact CG-CD2 3.48Å; M23-L104 HydrophobicContact CG-CG 4.37Å; M23-L104 HydrophobicContact SD-CD1 3.16Å; M23-L104 WeakPolarHBondContact SD-CD1 3.14Å; M23-L104 HydrophobicContact SD-CD2 3.82Å; M23-L104 HydrophobicContact SD-CG 4.1Å
24	R	66.7	Low	61.2	Low	36 Å²	36	58.3 Å²	58.3	14%	0.136	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.2	-178.3	-68.9	175.6	169.4	-168	-8.3	109.2	Y26 H39 S40 I87	R24-Y26 HydrophobicContact CB-CD2 4.45Å; R24-Y26 HydrophobicContact CB-CE1 4.21Å; R24-Y26 HydrophobicContact CB-CE2 3.63Å; R24-Y26 WeakPolarHBondContact CB-OH 3.47Å; R24-Y26 WeakPolarHBondContact CD-OH 3.38Å; R24-H39 CarbonylContact O-C 3.6Å; R24-H39 WeakPolarHBondContact O-CA 3.43Å; R24-S40 PolarHBondContact N-O 3.46Å; R24-S40 PolarHBondContact O-N 2.59Å; R24-I87 HydrophobicContact CG-CG2 4.01Å
25	I	68.4	Low	62.9	Low	4 Å²	4	59.6 Å²	59.6	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.9	169.7	-53	173.3	0	0	0	107.2	I37 G38 H39 E107 L111	I25-I37 HydrophobicContact CG2-CG2 3.58Å; I25-G38 CarbonylContact C-O 3.48Å; I25-G38 WeakPolarHBondContact CA-O 3.2Å; I25-H39 HydrophobicContact CG1-CB 4.36Å; I25-E107 HydrophobicContact CD1-CB 3.94Å; I25-L111 HydrophobicContact CB-CD1 3.91Å; I25-L111 HydrophobicContact CD1-CD1 3.78Å; I25-L111 HydrophobicContact CG1-CD1 4.45Å; I25-L111 HydrophobicContact CG2-CD1 3.51Å
26	Y	71.4	Confident	64.4	Low	31 Å²	31	51.5 Å²	51.5	12%	0.122	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.1	178.9	-48.2	-96.3	0	0	0	108.7	R24 I37 G38 S40 D85	R24-Y26 HydrophobicContact CB-CD2 4.45Å; R24-Y26 HydrophobicContact CB-CE1 4.21Å; R24-Y26 HydrophobicContact CB-CE2 3.63Å; R24-Y26 WeakPolarHBondContact CB-OH 3.47Å; R24-Y26 WeakPolarHBondContact CD-OH 3.38Å; Y26-I37 WeakPolarHBondContact O-CA 3.42Å; Y26-G38 PolarHBondContact N-O 3.08Å; Y26-G38 PolarHBondContact O-N 2.89Å; Y26-S40 WeakPolarHBondContact CE2-OG 3.43Å; Y26-S40 PolarHBondContact OH-OG 3.15Å; Y26-D85 HydrophobicContact CD1-CB 4.45Å
27	L	69.5	Low	65.8	Low	25 Å²	25	47 Å²	47	13%	0.131	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.6	168.4	-176.1	75.8	0	0	0	107.3	Y36 I37 Y88 M115	L27-Y36 WeakPolarHBondContact CA-O 3.31Å; L27-Y36 WeakPolarHBondContact CD1-O 3.34Å; L27-I37 HydrophobicContact CD1-CD1 4.32Å; L27-I37 HydrophobicContact CD1-CG1 3.57Å; L27-Y88 HydrophobicContact CB-CE2 3.74Å; L27-M115 HydrophobicContact CD1-CB 4.34Å; L27-M115 HydrophobicContact CD2-CB 4.43Å; L27-M115 HydrophobicContact CD2-CG 4.04Å; L27-M115 HydrophobicContact CD2-SD 3.84Å
28	F	72.9	Confident	67.2	Low	8 Å²	8	44.6 Å²	44.6	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.9	173.8	61	-89.8	0	0	0	110.7	R35 Y36 V68 L72 T79 V83	F28-R35 WeakPolarHBondContact O-CA 3.29Å; F28-Y36 AromaticContact CD2-CD2 3.86Å; F28-Y36 HydrophobicContact CD2-CD2 3.86Å; F28-Y36 HydrophobicContact CD2-CG 4.14Å; F28-Y36 HydrophobicContact CE2-CD1 4.17Å; F28-Y36 AromaticContact CE2-CD2 3.41Å; F28-Y36 HydrophobicContact CE2-CD2 3.41Å; F28-Y36 VanDerWaalsContact CE2-CD2 3.41Å; F28-Y36 HydrophobicContact CE2-CE2 4.28Å; F28-Y36 AromaticContact CE2-CG 3.36Å; F28-Y36 HydrophobicContact CE2-CG 3.36Å; F28-Y36 HydrophobicContact CZ-CD1 4.26Å; F28-Y36 HydrophobicContact CZ-CD2 4.18Å; F28-Y36 AromaticContact CZ-CG 3.65Å; F28-Y36 HydrophobicContact CZ-CG 3.65Å; F28-Y36 PolarHBondContact N-O 3.26Å; F28-Y36 PolarHBondContact O-N 3.43Å; F28-V68 HydrophobicContact CE1-CG1 3.85Å; F28-V68 HydrophobicContact CZ-CG1 3.49Å; F28-V68 VanDerWaalsContact CZ-CG1 3.49Å; F28-L72 HydrophobicContact CD2-CD1 4.04Å; F28-L72 HydrophobicContact CE1-CD1 4.39Å; F28-L72 HydrophobicContact CE2-CD1 3.06Å; F28-L72 HydrophobicContact CE2-CG 4.39Å; F28-L72 HydrophobicContact CZ-CD1 3.29Å; F28-T79 HydrophobicContact CD2-CG2 3.84Å; F28-T79 HydrophobicContact CE2-CG2 4.26Å; F28-V83 HydrophobicContact CB-CB 4.25Å; F28-V83 HydrophobicContact CB-CG1 3.68Å; F28-V83 HydrophobicContact CB-CG2 3.62Å
29	T	74.1	Confident	68.2	Low	57 Å²	57	41.1 Å²	41.1	35%	0.35	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.9	176.5	-51.4	0	0	0	0	108	A34 R35	T29-A34 CarbonylContact C-O 3.56Å; T29-A34 VanDerWaalsContact CA-O 3.29Å; T29-A34 WeakPolarHBondContact CA-O 3.48Å; T29-R35 HydrophobicContact CG2-CG 4.39Å
30	C	74	Confident	69.2	Low	5 Å²	5	35.6 Å²	35.6	3%	0.034	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-79.5	170.2	174.2	74.4	0	0	0	0	111.4	Y32 G33 A34 Y36	C30-Y32 PolarHBondContact O-N 3.11Å; C30-Y32 VanDerWaalsContact O-N 3.08Å; C30-Y32 PolarHBondContact SG-N 3.42Å; C30-G33 PolarHBondContact O-N 2.95Å; C30-A34 PolarHBondContact N-O 3.28Å; C30-Y36 HydrophobicContact CB-CD2 4.35Å; C30-Y36 HydrophobicContact CB-CE2 3.49Å; C30-Y36 VanDerWaalsContact CB-CE2 3.49Å; C30-Y36 VanDerWaalsContact SG-CE2 3.58Å
31	C	72.1	Confident	69.9	Low	72 Å²	72	39.9 Å²	39.9	49%	0.486	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.8	173	54.9	0	0	0	0	114.6	G33 F78	C31-G33 VanDerWaalsContact C-N 3.29Å; C31-G33 PolarHBondContact O-N 2.76Å; C31-F78 HydrophobicContact CB-CB 4.41Å; C31-F78 WeakPolarHBondContact CB-O 3.38Å; C31-F78 PolarHBondContact N-O 2.73Å
32	Y	74.2	Confident	70.1	Confident	169 Å²	169	39.2 Å²	39.2	66%	0.663	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	7.4	175.8	-54	-74.3	0	0	0	113.7	C30 A34 H77	C30-Y32 PolarHBondContact O-N 3.11Å; C30-Y32 VanDerWaalsContact O-N 3.08Å; C30-Y32 PolarHBondContact SG-N 3.42Å; Y32-A34 PolarHBondContact O-N 3.37Å; Y32-H77 AromaticContact CD2-CD2 3.93Å; Y32-H77 AromaticContact CD2-NE2 3.73Å; Y32-H77 AromaticContact CE2-CD2 3.91Å; Y32-H77 AromaticContact CE2-CE1 3.63Å; Y32-H77 AromaticContact CE2-ND1 4Å; Y32-H77 AromaticContact CE2-NE2 3.57Å
33	G	75.5	Confident	69.9	Low	48 Å²	48	41.9 Å²	41.9	50%	0.495	22%	0.216	S	C	.	.	S	Bend	trans	74.9	5.3	-179.4	0	0	0	0	0	114.6	C30 C31	C30-G33 PolarHBondContact O-N 2.95Å; C31-G33 VanDerWaalsContact C-N 3.29Å; C31-G33 PolarHBondContact O-N 2.76Å
34	A	75.1	Confident	69.2	Low	14 Å²	14	42.4 Å²	42.4	12%	0.116	22%	0.219	C	C	.	.			trans	-75.5	133.5	173.9	0	0	0	0	0	110	T29 C30 Y32 Y36 L119	T29-A34 CarbonylContact C-O 3.56Å; T29-A34 VanDerWaalsContact CA-O 3.29Å; T29-A34 WeakPolarHBondContact CA-O 3.48Å; C30-A34 PolarHBondContact N-O 3.28Å; Y32-A34 PolarHBondContact O-N 3.37Å; A34-Y36 HydrophobicContact CB-CE2 3.72Å; A34-Y36 WeakPolarHBondContact O-CD2 3.36Å; A34-Y36 WeakPolarHBondContact O-CE2 3.24Å; A34-L119 HydrophobicContact CB-CD1 4.41Å
35	R	76.1	Confident	68.2	Low	123 Å²	123	42.1 Å²	42.1	46%	0.464	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.6	175.7	-65.1	-179.5	-177	172.9	-0.3	110	F28 T29 P117 K118 L119	F28-R35 WeakPolarHBondContact O-CA 3.29Å; T29-R35 HydrophobicContact CG2-CG 4.39Å; R35-P117 HydrophobicContact CB-CB 4.32Å; R35-K118 PolarHBondContact O-N 3.41Å; R35-L119 PolarHBondContact O-N 2.88Å
36	Y	73.1	Confident	67.6	Low	12 Å²	12	43.7 Å²	43.7	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.5	-178.1	-59.2	-101.2	0	0	0	109.9	L27 F28 C30 A34 L119 V121	L27-Y36 WeakPolarHBondContact CA-O 3.31Å; L27-Y36 WeakPolarHBondContact CD1-O 3.34Å; F28-Y36 AromaticContact CD2-CD2 3.86Å; F28-Y36 HydrophobicContact CD2-CD2 3.86Å; F28-Y36 HydrophobicContact CD2-CG 4.14Å; F28-Y36 HydrophobicContact CE2-CD1 4.17Å; F28-Y36 AromaticContact CE2-CD2 3.41Å; F28-Y36 HydrophobicContact CE2-CD2 3.41Å; F28-Y36 VanDerWaalsContact CE2-CD2 3.41Å; F28-Y36 HydrophobicContact CE2-CE2 4.28Å; F28-Y36 AromaticContact CE2-CG 3.36Å; F28-Y36 HydrophobicContact CE2-CG 3.36Å; F28-Y36 HydrophobicContact CZ-CD1 4.26Å; F28-Y36 HydrophobicContact CZ-CD2 4.18Å; F28-Y36 AromaticContact CZ-CG 3.65Å; F28-Y36 HydrophobicContact CZ-CG 3.65Å; F28-Y36 PolarHBondContact N-O 3.26Å; F28-Y36 PolarHBondContact O-N 3.43Å; C30-Y36 HydrophobicContact CB-CD2 4.35Å; C30-Y36 HydrophobicContact CB-CE2 3.49Å; C30-Y36 VanDerWaalsContact CB-CE2 3.49Å; C30-Y36 VanDerWaalsContact SG-CE2 3.58Å; A34-Y36 HydrophobicContact CB-CE2 3.72Å; A34-Y36 WeakPolarHBondContact O-CD2 3.36Å; A34-Y36 WeakPolarHBondContact O-CE2 3.24Å; Y36-L119 HydrophobicContact CD1-CB 3.78Å; Y36-L119 HydrophobicContact CD1-CD1 4.13Å; Y36-L119 HydrophobicContact CE1-CB 3.86Å; Y36-L119 HydrophobicContact CE1-CD1 3.32Å; Y36-L119 HydrophobicContact CE1-CG 4.21Å; Y36-V121 HydrophobicContact CD1-CG2 3.62Å; Y36-V121 HydrophobicContact CE1-CG2 4.42Å; Y36-V121 HydrophobicContact CG-CG2 4.46Å
37	I	72.7	Confident	66.3	Low	3 Å²	3	44.7 Å²	44.7	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.1	166	-64.2	-177.4	0	0	0	108.3	I25 Y26 L27 E108 L111 I112 P117 V121	I25-I37 HydrophobicContact CG2-CG2 3.58Å; Y26-I37 WeakPolarHBondContact O-CA 3.42Å; L27-I37 HydrophobicContact CD1-CD1 4.32Å; L27-I37 HydrophobicContact CD1-CG1 3.57Å; I37-E108 HydrophobicContact CG2-CG 4.44Å; I37-L111 HydrophobicContact CD1-CB 3.87Å; I37-I112 HydrophobicContact CD1-CG1 3.88Å; I37-P117 HydrophobicContact CD1-CB 4.36Å; I37-P117 HydrophobicContact CD1-CG 3.64Å; I37-P117 HydrophobicContact CG1-CB 4.15Å; I37-P117 HydrophobicContact CG1-CG 3.93Å; I37-V121 PolarHBondContact O-N 2.84Å
38	G	71.1	Confident	65	Low	2 Å²	2	46.6 Å²	46.6	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.6	171.2	0	0	0	0	0	110.9	I25 Y26	I25-G38 CarbonylContact C-O 3.48Å; I25-G38 WeakPolarHBondContact CA-O 3.2Å; Y26-G38 PolarHBondContact N-O 3.08Å; Y26-G38 PolarHBondContact O-N 2.89Å
39	H	69.4	Low	63.7	Low	51 Å²	51	56.1 Å²	56.1	24%	0.236	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.7	174.3	57.3	-107.6	0	0	0	111.3	M23 R24 I25	M23-H39 HydrophobicContact CE-CB 3.91Å; M23-H39 WeakPolarHBondContact CE-CD2 3.29Å; R24-H39 CarbonylContact O-C 3.6Å; R24-H39 WeakPolarHBondContact O-CA 3.43Å; I25-H39 HydrophobicContact CG1-CB 4.36Å
40	S	67.4	Low	62.2	Low	12 Å²	12	59.3 Å²	59.3	8%	0.084	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.9	170.9	80.7	0	0	0	0	110.1	M23 R24 Y26	M23-S40 WeakPolarHBondContact CA-O 3.5Å; R24-S40 PolarHBondContact N-O 3.46Å; R24-S40 PolarHBondContact O-N 2.59Å; Y26-S40 WeakPolarHBondContact CE2-OG 3.43Å; Y26-S40 PolarHBondContact OH-OG 3.15Å
41	L	63.8	Low	60.6	Low	101 Å²	101	68.8 Å²	68.8	53%	0.529	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111	161.9	-170.6	71.3	0	0	0	108	A21 M23	A21-L41 HydrophobicContact CB-CD1 4Å; A21-L41 HydrophobicContact CB-CG 4.33Å; M23-L41 HydrophobicContact CB-CD1 4.1Å; M23-L41 HydrophobicContact CG-CD1 4.45Å; M23-L41 HydrophobicContact SD-CB 4.48Å; M23-L41 HydrophobicContact SD-CD1 4.05Å
42	S	59.1	Low	58.8	Low	4 Å²	4	70 Å²	70	3%	0.028	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.8	176.9	-177.9	0	0	0	0	109.6	F22 T46	F22-S42 PolarHBondContact N-O 3.02Å; F22-S42 PolarHBondContact O-N 3.38Å; S42-T46 PolarHBondContact OG-OG1 3.46Å
43	L	56.6	Low	56.8	Low	78 Å²	78	67.3 Å²	67.3	41%	0.408	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	136.2	165.8	-68.8	165.6	0	0	0	109	A21 S45 T46	A21-L43 HydrophobicContact CB-CD2 3.85Å; L43-S45 PolarHBondContact O-N 3.12Å; L43-S45 VanDerWaalsContact O-N 3.08Å; L43-T46 WeakPolarHBondContact O-CB 3.18Å; L43-T46 PolarHBondContact O-N 2.92Å; L43-T46 PolarHBondContact O-OG1 3.03Å
44	L	50.3	Low	54.8	Low	35 Å²	35	69.9 Å²	69.9	18%	0.183	34%	0.338	C	S	.	.	H	α-helix	trans	-55.2	-30.7	179.3	-170	91	0	0	0	112.3	L17 V20 F22 T46 R47 V48	L17-L44 HydrophobicContact CB-CD2 4.23Å; L17-L44 HydrophobicContact CD2-CD2 3.2Å; L17-L44 HydrophobicContact CD2-CG 4.28Å; L17-L44 HydrophobicContact CG-CD2 4.23Å; L17-L44 WeakPolarHBondContact O-CB 3.39Å; V20-L44 HydrophobicContact CB-CB 4.42Å; V20-L44 WeakPolarHBondContact O-CB 3.33Å; V20-L44 PolarHBondContact O-N 3.03Å; F22-L44 HydrophobicContact CD2-CB 4.4Å; F22-L44 HydrophobicContact CD2-CD1 4.05Å; F22-L44 HydrophobicContact CE2-CB 4.24Å; F22-L44 HydrophobicContact CE2-CD1 3.47Å; F22-L44 VanDerWaalsContact CE2-CD1 3.47Å; F22-L44 HydrophobicContact CE2-CG 4.39Å; F22-L44 HydrophobicContact CZ-CD1 4.44Å; L44-T46 VanDerWaalsContact C-N 3.25Å; L44-T46 PolarHBondContact O-N 2.88Å; L44-R47 WeakPolarHBondContact O-CA 3.39Å; L44-R47 VanDerWaalsContact O-CB 3.29Å; L44-R47 WeakPolarHBondContact O-CB 3.08Å; L44-R47 PolarHBondContact O-N 2.82Å; L44-V48 PolarHBondContact O-N 3Å
45	S	45.2	Very low	52.8	Low	30 Å²	30	81 Å²	81	21%	0.21	38%	0.377	C	S	.	.	H	α-helix	trans	-53.4	-38.1	170.7	62.4	0	0	0	0	113.6	L17 L43 R47 V48 R49	L17-S45 PolarHBondContact O-N 3.49Å; L43-S45 PolarHBondContact O-N 3.12Å; L43-S45 VanDerWaalsContact O-N 3.08Å; S45-R47 VanDerWaalsContact C-N 3.29Å; S45-R47 PolarHBondContact O-N 2.83Å; S45-V48 PolarHBondContact O-N 3.39Å; S45-R49 PolarHBondContact O-N 3.17Å
46	T	55	Low	50.6	Low	37 Å²	37	78.3 Å²	78.3	23%	0.227	38%	0.377	C	S	.	.	H	α-helix	trans	-68.6	-24.4	173.9	54.3	0	0	0	0	113.1	S42 L43 L44 K50 I65	S42-T46 PolarHBondContact OG-OG1 3.46Å; L43-T46 WeakPolarHBondContact O-CB 3.18Å; L43-T46 PolarHBondContact O-N 2.92Å; L43-T46 PolarHBondContact O-OG1 3.03Å; L44-T46 VanDerWaalsContact C-N 3.25Å; L44-T46 PolarHBondContact O-N 2.88Å; T46-K50 WeakPolarHBondContact O-CG 3.46Å; T46-K50 PolarHBondContact O-N 2.98Å; T46-K50 VanDerWaalsContact O-N 3.11Å; T46-I65 HydrophobicContact CG2-CD1 4.03Å
47	R	45.4	Very low	48.6	Very low	52 Å²	52	86 Å²	86	20%	0.196	41%	0.413	C	S	.	.	H	α-helix	trans	-71.5	-39.7	172.9	-85.4	-162.6	-96.2	-176.9	-5.8	112.9	F22 L44 S45 R49 K50 R51	F22-R47 VanDerWaalsContact CG-NH2 3.33Å; L44-R47 WeakPolarHBondContact O-CA 3.39Å; L44-R47 VanDerWaalsContact O-CB 3.29Å; L44-R47 WeakPolarHBondContact O-CB 3.08Å; L44-R47 PolarHBondContact O-N 2.82Å; S45-R47 VanDerWaalsContact C-N 3.29Å; S45-R47 PolarHBondContact O-N 2.83Å; R47-R49 VanDerWaalsContact C-N 3.26Å; R47-R49 PolarHBondContact O-N 2.99Å; R47-K50 PolarHBondContact O-N 2.99Å; R47-K50 VanDerWaalsContact O-N 3.15Å; R47-R51 WeakPolarHBondContact O-CB 3.38Å; R47-R51 PolarHBondContact O-N 3.47Å
48	V	42.2	Very low	46.9	Very low	66 Å²	66	95.8 Å²	95.8	40%	0.4	46%	0.456	S	S	.	.	H	α-helix	trans	-60.6	-43.1	178.1	178.7	0	0	0	0	109.5	L44 S45 K50 R51 I52	L44-V48 PolarHBondContact O-N 3Å; S45-V48 PolarHBondContact O-N 3.39Å; V48-K50 PolarHBondContact O-N 2.97Å; V48-R51 PolarHBondContact O-N 2.91Å; V48-I52 HydrophobicContact CG1-CD1 3.82Å; V48-I52 HydrophobicContact CG1-CG1 4.49Å; V48-I52 VanDerWaalsContact O-CG1 3.29Å; V48-I52 WeakPolarHBondContact O-CG1 3.17Å; V48-I52 PolarHBondContact O-N 3Å; V48-I52 VanDerWaalsContact O-N 3.09Å
49	R	44.9	Very low	45.2	Very low	208 Å²	208	101 Å²	101	79%	0.785	49%	0.492	S	S	*	.	H	α-helix	trans	-63.9	-37.4	174.1	-68.4	-173.4	-179.5	-175.7	-0.5	113.7	S45 R47	S45-R49 PolarHBondContact O-N 3.17Å; R47-R49 VanDerWaalsContact C-N 3.26Å; R47-R49 PolarHBondContact O-N 2.99Å
50	K	44	Very low	43.6	Very low	123 Å²	123	106 Å²	106	54%	0.535	52%	0.516	S	S	.	.	H	α-helix	trans	-74.1	-27.4	177.8	-76.8	-176.9	176.6	-176.8	0	114.2	T46 R47 V48	T46-K50 WeakPolarHBondContact O-CG 3.46Å; T46-K50 PolarHBondContact O-N 2.98Å; T46-K50 VanDerWaalsContact O-N 3.11Å; R47-K50 PolarHBondContact O-N 2.99Å; R47-K50 VanDerWaalsContact O-N 3.15Å; V48-K50 PolarHBondContact O-N 2.97Å
51	R	40.2	Very low	42.3	Very low	205 Å²	205	116.8 Å²	116.8	77%	0.774	55%	0.554	S	S	*	*	H	α-helix	trans	-94.1	-19.5	-177.4	-81.4	-168.9	174.5	-173.1	-2.4	114.3	R47 V48 P53	R47-R51 WeakPolarHBondContact O-CB 3.38Å; R47-R51 PolarHBondContact O-N 3.47Å; V48-R51 PolarHBondContact O-N 2.91Å; R51-P53 WeakPolarHBondContact O-CD 3.44Å
52	I	32.6	Very low	41	Very low	96 Å²	96	118.3 Å²	118.3	49%	0.492	56%	0.563	S	S	.	*	S	Bend	trans	-73.9	110.8	165	-62.9	165.4	0	0	0	104.8	V48 V54	V48-I52 HydrophobicContact CG1-CD1 3.82Å; V48-I52 HydrophobicContact CG1-CG1 4.49Å; V48-I52 VanDerWaalsContact O-CG1 3.29Å; V48-I52 WeakPolarHBondContact O-CG1 3.17Å; V48-I52 PolarHBondContact O-N 3Å; V48-I52 VanDerWaalsContact O-N 3.09Å; I52-V54 HydrophobicContact CB-CG2 4.38Å; I52-V54 HydrophobicContact CG2-CG2 3.88Å; I52-V54 PolarHBondContact O-N 3.13Å
53	P	32.9	Very low	40.1	Very low	114 Å²	114	125.2 Å²	125.2	74%	0.74	60%	0.598	S	S	*	*			trans	-68.5	89.9	172.3	29.3	-29.8	0	0	0	106	R51 R55	R51-P53 WeakPolarHBondContact O-CD 3.44Å; P53-R55 PolarHBondContact O-N 2.78Å
54	V	34.6	Very low	39.2	Very low	101 Å²	101	123.8 Å²	123.8	61%	0.612	59%	0.592	S	S	*	*			trans	-69.7	84.8	170.9	-179.7	0	0	0	0	105.5	I52 S56	I52-V54 HydrophobicContact CB-CG2 4.38Å; I52-V54 HydrophobicContact CG2-CG2 3.88Å; I52-V54 PolarHBondContact O-N 3.13Å; V54-S56 WeakPolarHBondContact CG1-OG 3.15Å; V54-S56 PolarHBondContact O-N 2.91Å
55	R	32.4	Very low	39	Very low	249 Å²	249	125.2 Å²	125.2	94%	0.94	60%	0.6	S	S	*	*			trans	-68.3	82.5	166.1	-171.9	-176.5	-170.7	164.1	2.4	106.2	P53	P53-R55 PolarHBondContact O-N 2.78Å
56	S	29.4	Very low	39.1	Very low	66 Å²	66	124.7 Å²	124.7	46%	0.462	60%	0.596	S	S	.	*			trans	-149.7	115	166.7	54.2	0	0	0	0	110.8	V54	V54-S56 WeakPolarHBondContact CG1-OG 3.15Å; V54-S56 PolarHBondContact O-N 2.91Å
57	H	32.2	Very low	39.1	Very low	174 Å²	174	125.3 Å²	125.3	81%	0.806	60%	0.602	S	S	*	*			trans	59.7	111.5	157.1	-91	-67.3	0	0	0	120.7	S59	H57-S59 PolarHBondContact O-N 2.81Å
58	K	36.1	Very low	39.6	Very low	207 Å²	207	123.1 Å²	123.1	90%	0.9	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-19.4	90.8	150.5	-71.7	176.1	169.6	179.7	0	113.9
59	S	35.9	Very low	40.2	Very low	113 Å²	113	122.4 Å²	122.4	79%	0.79	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.5	-4.8	145.2	58.8	0	0	0	0	113.8	H57 R61	H57-S59 PolarHBondContact O-N 2.81Å; S59-R61 PolarHBondContact O-N 3.24Å; S59-R61 VanDerWaalsContact O-N 3.17Å
60	E	36.4	Very low	41	Very low	156 Å²	156	117.3 Å²	117.3	73%	0.729	57%	0.573	S	S	*	*			trans	-78.4	114	-168.8	-84.6	-177.3	158	0	0	113.6	N62	E60-N62 PolarHBondContact O-N 2.86Å
61	R	38.4	Very low	41.8	Very low	238 Å²	238	117.4 Å²	117.4	90%	0.898	57%	0.57	S	S	*	*			trans	-44.5	107.1	157.8	-64	174.7	-174.3	170.6	0.9	107.5	S59 I63	S59-R61 PolarHBondContact O-N 3.24Å; S59-R61 VanDerWaalsContact O-N 3.17Å; R61-I63 PolarHBondContact O-N 3.46Å
62	N	38.1	Very low	42.8	Very low	133 Å²	133	108.2 Å²	108.2	71%	0.711	54%	0.536	S	S	*	.			trans	-47.9	119.4	169.5	-74.8	-38.7	0	0	0	107	E60 V64	E60-N62 PolarHBondContact O-N 2.86Å; N62-V64 VanDerWaalsContact C-N 3.34Å; N62-V64 WeakPolarHBondContact O-CG2 3.24Å; N62-V64 PolarHBondContact O-N 3.02Å
63	I	39	Very low	44.1	Very low	148 Å²	148	107.7 Å²	107.7	76%	0.759	53%	0.533	S	S	*	.			trans	-58.5	103.6	179.1	-62.3	170.7	0	0	0	106.7	R61 I65	R61-I63 PolarHBondContact O-N 3.46Å; I63-I65 HydrophobicContact CG2-CG1 4.16Å; I63-I65 WeakPolarHBondContact O-CG1 3.16Å; I63-I65 PolarHBondContact O-N 3.37Å
64	V	37.8	Very low	45.7	Very low	48 Å²	48	107.7 Å²	107.7	29%	0.291	53%	0.527	S	S	.	.			trans	-77.8	92	-177.6	-173.7	0	0	0	0	106.6	N62 S66 L69 E70 I73	N62-V64 VanDerWaalsContact C-N 3.34Å; N62-V64 WeakPolarHBondContact O-CG2 3.24Å; N62-V64 PolarHBondContact O-N 3.02Å; V64-S66 WeakPolarHBondContact CG1-O 3.24Å; V64-S66 PolarHBondContact O-N 2.98Å; V64-S66 VanDerWaalsContact O-N 3.13Å; V64-L69 HydrophobicContact CG1-CB 3.28Å; V64-L69 HydrophobicContact CG1-CG 4.48Å; V64-E70 HydrophobicContact CB-CB 4.32Å; V64-E70 HydrophobicContact CG1-CB 4.13Å; V64-I73 HydrophobicContact CG1-CD1 4.4Å; V64-I73 HydrophobicContact CG2-CD1 3.81Å
65	I	46.4	Very low	47.1	Very low	66 Å²	66	105.5 Å²	105.5	34%	0.338	52%	0.516	S	S	.	.			trans	-68.2	-11.4	-176.8	-53.9	-172	0	0	0	112.1	T46 I63	T46-I65 HydrophobicContact CG2-CD1 4.03Å; I63-I65 HydrophobicContact CG2-CG1 4.16Å; I63-I65 WeakPolarHBondContact O-CG1 3.16Å; I63-I65 PolarHBondContact O-N 3.37Å
66	S	47.8	Very low	48.6	Very low	18 Å²	18	99.8 Å²	99.8	13%	0.126	50%	0.504	C	S	.	.			trans	-99	110.8	175.8	174.5	0	0	0	0	109	V64 V68 L69 E70	V64-S66 WeakPolarHBondContact CG1-O 3.24Å; V64-S66 PolarHBondContact O-N 2.98Å; V64-S66 VanDerWaalsContact O-N 3.13Å; S66-V68 PolarHBondContact O-N 3.41Å; S66-V68 WeakPolarHBondContact OG-CB 3.14Å; S66-V68 PolarHBondContact OG-N 2.9Å; S66-L69 PolarHBondContact O-N 2.9Å; S66-L69 PolarHBondContact OG-N 3.5Å; S66-E70 PolarHBondContact O-N 3.35Å
67	S	54.7	Low	50.2	Low	50 Å²	50	98.8 Å²	98.8	35%	0.35	49%	0.492	S	S	.	.	H	α-helix	trans	-55.4	-21.3	172.4	67.5	0	0	0	0	112.2	R71 K123	S67-R71 VanDerWaalsContact O-CB 3.28Å; S67-R71 WeakPolarHBondContact O-CB 3.48Å; S67-R71 PolarHBondContact O-N 2.94Å; S67-K123 PolarHBondContact OG-O 3.11Å
68	V	54.9	Low	51.4	Low	6 Å²	6	98.1 Å²	98.1	4%	0.036	49%	0.487	C	S	.	.	H	α-helix	trans	-70.9	-50.8	173.1	180	0	0	0	0	111.3	F28 S66 E70 R71 L72 V121	F28-V68 HydrophobicContact CE1-CG1 3.85Å; F28-V68 HydrophobicContact CZ-CG1 3.49Å; F28-V68 VanDerWaalsContact CZ-CG1 3.49Å; S66-V68 PolarHBondContact O-N 3.41Å; S66-V68 WeakPolarHBondContact OG-CB 3.14Å; S66-V68 PolarHBondContact OG-N 2.9Å; V68-E70 VanDerWaalsContact C-N 3.3Å; V68-E70 PolarHBondContact O-N 2.94Å; V68-R71 PolarHBondContact O-N 3.02Å; V68-L72 HydrophobicContact CG1-CD1 3.88Å; V68-L72 WeakPolarHBondContact O-CB 3.43Å; V68-L72 WeakPolarHBondContact O-CD1 2.98Å; V68-L72 VanDerWaalsContact O-CG 3.22Å; V68-L72 WeakPolarHBondContact O-CG 3.39Å; V68-L72 PolarHBondContact O-N 2.63Å; V68-V121 HydrophobicContact CB-CB 4.37Å; V68-V121 HydrophobicContact CB-CG1 4.03Å; V68-V121 HydrophobicContact CG1-CB 3.7Å; V68-V121 HydrophobicContact CG1-CG1 3.65Å; V68-V121 HydrophobicContact CG1-CG2 3.87Å; V68-V121 HydrophobicContact CG2-CB 3.83Å; V68-V121 HydrophobicContact CG2-CG1 3.48Å; V68-V121 VanDerWaalsContact CG2-CG1 3.48Å
69	L	55.3	Low	52.4	Low	52 Å²	52	89.6 Å²	89.6	27%	0.272	45%	0.453	S	S	.	.	H	α-helix	trans	-64.1	-39.4	176	-97.1	140.3	0	0	0	110.9	V64 S66 R71 L72 I73	V64-L69 HydrophobicContact CG1-CB 3.28Å; V64-L69 HydrophobicContact CG1-CG 4.48Å; S66-L69 PolarHBondContact O-N 2.9Å; S66-L69 PolarHBondContact OG-N 3.5Å; L69-R71 VanDerWaalsContact C-N 3.34Å; L69-L72 PolarHBondContact O-N 2.99Å; L69-I73 WeakPolarHBondContact O-CB 3.28Å; L69-I73 WeakPolarHBondContact O-CD1 3.44Å; L69-I73 WeakPolarHBondContact O-CG1 3.35Å; L69-I73 PolarHBondContact O-N 3.39Å
70	E	61.2	Low	53.4	Low	100 Å²	100	88.6 Å²	88.6	47%	0.467	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-50.5	176.7	-174.4	175.4	-155.3	0	0	109.5	V64 S66 V68 L72 I73 D74	V64-E70 HydrophobicContact CB-CB 4.32Å; V64-E70 HydrophobicContact CG1-CB 4.13Å; S66-E70 PolarHBondContact O-N 3.35Å; V68-E70 VanDerWaalsContact C-N 3.3Å; V68-E70 PolarHBondContact O-N 2.94Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 2.79Å; E70-I73 CarbonylContact O-C 3.51Å; E70-I73 WeakPolarHBondContact O-CB 3.31Å; E70-I73 PolarHBondContact O-N 2.94Å; E70-D74 WeakPolarHBondContact O-CB 3.45Å; E70-D74 PolarHBondContact O-N 3.49Å
71	R	62	Low	54.1	Low	126 Å²	126	92.2 Å²	92.2	48%	0.475	45%	0.445	S	S	.	.	H	α-helix	trans	-65.4	-34.3	177.6	-171.9	165.5	-178.8	172	-2.7	113.9	S67 V68 L69 I73 D74 S75 K124	S67-R71 VanDerWaalsContact O-CB 3.28Å; S67-R71 WeakPolarHBondContact O-CB 3.48Å; S67-R71 PolarHBondContact O-N 2.94Å; V68-R71 PolarHBondContact O-N 3.02Å; L69-R71 VanDerWaalsContact C-N 3.34Å; R71-I73 VanDerWaalsContact C-N 3.34Å; R71-D74 PolarHBondContact O-N 2.82Å; R71-S75 VanDerWaalsContact O-CB 3.31Å; R71-S75 WeakPolarHBondContact O-CB 3.22Å; R71-S75 PolarHBondContact O-N 3Å; R71-S75 PolarHBondContact O-OG 2.7Å; R71-S75 VanDerWaalsContact O-OG 3.09Å; R71-K124 PolarHBondContact NH1-O 2.95Å
72	L	61.3	Low	54.6	Low	11 Å²	11	88.1 Å²	88.1	6%	0.058	44%	0.437	C	S	.	.	H	α-helix	trans	-66.9	-40.9	175.5	-73.8	161.8	0	0	0	111	F28 V68 L69 E70 D74 S75 N76 H77 T79	F28-L72 HydrophobicContact CD2-CD1 4.04Å; F28-L72 HydrophobicContact CE1-CD1 4.39Å; F28-L72 HydrophobicContact CE2-CD1 3.06Å; F28-L72 HydrophobicContact CE2-CG 4.39Å; F28-L72 HydrophobicContact CZ-CD1 3.29Å; V68-L72 HydrophobicContact CG1-CD1 3.88Å; V68-L72 WeakPolarHBondContact O-CB 3.43Å; V68-L72 WeakPolarHBondContact O-CD1 2.98Å; V68-L72 VanDerWaalsContact O-CG 3.22Å; V68-L72 WeakPolarHBondContact O-CG 3.39Å; V68-L72 PolarHBondContact O-N 2.63Å; L69-L72 PolarHBondContact O-N 2.99Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 2.79Å; L72-D74 VanDerWaalsContact C-N 3.35Å; L72-S75 WeakPolarHBondContact CA-OG 3.35Å; L72-S75 CarbonylContact O-C 3.59Å; L72-S75 PolarHBondContact O-N 3.48Å; L72-S75 PolarHBondContact O-OG 3.35Å; L72-S75 VanDerWaalsContact O-OG 3.12Å; L72-N76 PolarHBondContact O-N 3.19Å; L72-H77 HydrophobicContact CB-CB 4.17Å; L72-H77 HydrophobicContact CD2-CB 3.76Å; L72-H77 WeakPolarHBondContact O-CA 3.12Å; L72-H77 WeakPolarHBondContact O-CB 3.44Å; L72-H77 PolarHBondContact O-N 2.86Å; L72-T79 HydrophobicContact CB-CG2 4.48Å; L72-T79 HydrophobicContact CD1-CG2 4Å
73	I	60.3	Low	55.1	Low	85 Å²	85	83 Å²	83	44%	0.436	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-46.1	172.4	-68.1	162.2	0	0	0	109.5	V64 L69 E70 R71 S75 N76	V64-I73 HydrophobicContact CG1-CD1 4.4Å; V64-I73 HydrophobicContact CG2-CD1 3.81Å; L69-I73 WeakPolarHBondContact O-CB 3.28Å; L69-I73 WeakPolarHBondContact O-CD1 3.44Å; L69-I73 WeakPolarHBondContact O-CG1 3.35Å; L69-I73 PolarHBondContact O-N 3.39Å; E70-I73 CarbonylContact O-C 3.51Å; E70-I73 WeakPolarHBondContact O-CB 3.31Å; E70-I73 PolarHBondContact O-N 2.94Å; R71-I73 VanDerWaalsContact C-N 3.34Å; I73-S75 VanDerWaalsContact C-N 3.29Å; I73-S75 PolarHBondContact O-N 2.88Å; I73-N76 PolarHBondContact O-N 3.41Å
74	D	65.8	Low	55.6	Low	114 Å²	114	82.1 Å²	82.1	61%	0.61	41%	0.407	S	S	*	.	H	α-helix	trans	-63.5	-33.6	177.9	-65	-22.5	0	0	0	112.5	E70 R71 L72 N76	E70-D74 WeakPolarHBondContact O-CB 3.45Å; E70-D74 PolarHBondContact O-N 3.49Å; R71-D74 PolarHBondContact O-N 2.82Å; L72-D74 VanDerWaalsContact C-N 3.35Å; D74-N76 PolarHBondContact O-N 3.46Å
75	S	64.5	Low	56.3	Low	55 Å²	55	84.7 Å²	84.7	39%	0.385	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	14	175.5	70.2	0	0	0	0	113.2	R71 L72 I73 H77	R71-S75 VanDerWaalsContact O-CB 3.31Å; R71-S75 WeakPolarHBondContact O-CB 3.22Å; R71-S75 PolarHBondContact O-N 3Å; R71-S75 PolarHBondContact O-OG 2.7Å; R71-S75 VanDerWaalsContact O-OG 3.09Å; L72-S75 WeakPolarHBondContact CA-OG 3.35Å; L72-S75 CarbonylContact O-C 3.59Å; L72-S75 PolarHBondContact O-N 3.48Å; L72-S75 PolarHBondContact O-OG 3.35Å; L72-S75 VanDerWaalsContact O-OG 3.12Å; I73-S75 VanDerWaalsContact C-N 3.29Å; I73-S75 PolarHBondContact O-N 2.88Å; S75-H77 PolarHBondContact O-N 3.48Å; S75-H77 PolarHBondContact O-ND1 2.75Å; S75-H77 PolarHBondContact OG-ND1 3.26Å
76	N	62.3	Low	56.9	Low	129 Å²	129	87.8 Å²	87.8	69%	0.69	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	22.7	-174.8	-67.4	-39.8	0	0	0	113.9	L72 I73 D74 F78	L72-N76 PolarHBondContact O-N 3.19Å; I73-N76 PolarHBondContact O-N 3.41Å; D74-N76 PolarHBondContact O-N 3.46Å; N76-F78 PolarHBondContact O-N 2.87Å
77	H	63.1	Low	57.6	Low	45 Å²	45	90 Å²	90	21%	0.208	44%	0.439	C	S	.	.			trans	-81.1	97.9	172.5	-78.6	42.5	0	0	0	107.7	Y32 L72 S75 T79	Y32-H77 AromaticContact CD2-CD2 3.93Å; Y32-H77 AromaticContact CD2-NE2 3.73Å; Y32-H77 AromaticContact CE2-CD2 3.91Å; Y32-H77 AromaticContact CE2-CE1 3.63Å; Y32-H77 AromaticContact CE2-ND1 4Å; Y32-H77 AromaticContact CE2-NE2 3.57Å; L72-H77 HydrophobicContact CB-CB 4.17Å; L72-H77 HydrophobicContact CD2-CB 3.76Å; L72-H77 WeakPolarHBondContact O-CA 3.12Å; L72-H77 WeakPolarHBondContact O-CB 3.44Å; L72-H77 PolarHBondContact O-N 2.86Å; S75-H77 PolarHBondContact O-N 3.48Å; S75-H77 PolarHBondContact O-ND1 2.75Å; S75-H77 PolarHBondContact OG-ND1 3.26Å; H77-T79 PolarHBondContact O-N 3.36Å; H77-T79 VanDerWaalsContact O-N 3.1Å
78	F	58.4	Low	58	Low	161 Å²	161	90.7 Å²	90.7	71%	0.706	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-61	117.2	167.6	-77.8	-87.9	0	0	0	108.5	C31 N76	C31-F78 HydrophobicContact CB-CB 4.41Å; C31-F78 WeakPolarHBondContact CB-O 3.38Å; C31-F78 PolarHBondContact N-O 2.73Å; N76-F78 PolarHBondContact O-N 2.87Å
79	T	57.2	Low	58.4	Low	28 Å²	28	94.4 Å²	94.4	17%	0.172	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-82.2	126.6	164.6	42.3	0	0	0	0	106.5	F28 L72 H77 R81	F28-T79 HydrophobicContact CD2-CG2 3.84Å; F28-T79 HydrophobicContact CE2-CG2 4.26Å; L72-T79 HydrophobicContact CB-CG2 4.48Å; L72-T79 HydrophobicContact CD1-CG2 4Å; H77-T79 PolarHBondContact O-N 3.36Å; H77-T79 VanDerWaalsContact O-N 3.1Å; T79-R81 PolarHBondContact O-N 2.8Å
80	D	57.3	Low	58.9	Low	92 Å²	92	94.9 Å²	94.9	49%	0.492	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-59.3	125.7	170.8	-171.8	-15.2	0	0	0	106.9	Q82 V83	D80-Q82 CarbonylContact O-C 3.57Å; D80-Q82 PolarHBondContact O-N 3.37Å; D80-Q82 PolarHBondContact OD1-N 3.18Å; D80-V83 WeakPolarHBondContact O-CG2 3.42Å; D80-V83 PolarHBondContact O-N 3.36Å
81	R	51.3	Low	59	Low	231 Å²	231	90.4 Å²	90.4	87%	0.872	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-11	176.8	-85.5	-173.8	-178.9	175.1	2.1	112.3	T79 V83	T79-R81 PolarHBondContact O-N 2.8Å; R81-V83 PolarHBondContact O-N 3.03Å
82	Q	48.2	Very low	59.2	Low	153 Å²	153	88.6 Å²	88.6	72%	0.715	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	21.4	159.6	-60.6	-165.7	25.4	0	0	113.5	D80 N84	D80-Q82 CarbonylContact O-C 3.57Å; D80-Q82 PolarHBondContact O-N 3.37Å; D80-Q82 PolarHBondContact OD1-N 3.18Å; Q82-N84 PolarHBondContact O-N 2.89Å
83	V	49.4	Very low	59.4	Low	25 Å²	25	89.7 Å²	89.7	15%	0.152	44%	0.438	C	S	.	.			trans	-52.3	91	147	-170.7	0	0	0	0	105.4	F28 D80 R81 D85	F28-V83 HydrophobicContact CB-CB 4.25Å; F28-V83 HydrophobicContact CB-CG1 3.68Å; F28-V83 HydrophobicContact CB-CG2 3.62Å; D80-V83 WeakPolarHBondContact O-CG2 3.42Å; D80-V83 PolarHBondContact O-N 3.36Å; R81-V83 PolarHBondContact O-N 3.03Å; V83-D85 VanDerWaalsContact CG1-OD1 3.22Å; V83-D85 WeakPolarHBondContact CG1-OD1 3.37Å; V83-D85 PolarHBondContact O-N 3.09Å
84	N	48.3	Very low	59.8	Low	130 Å²	130	92.2 Å²	92.2	70%	0.695	45%	0.452	S	S	*	.			trans	-56.2	91.2	152.5	-77	-31	0	0	0	102.5	Q82 K86	Q82-N84 PolarHBondContact O-N 2.89Å; N84-K86 HydrophobicContact CB-CB 4.47Å; N84-K86 PolarHBondContact O-N 2.79Å
85	D	52.5	Low	60	Low	101 Å²	101	90.3 Å²	90.3	54%	0.54	44%	0.442	S	S	.	.			trans	-63.3	59.1	164.5	-84.4	-28.2	0	0	0	105.9	Y26 V83 I87	Y26-D85 HydrophobicContact CD1-CB 4.45Å; V83-D85 VanDerWaalsContact CG1-OD1 3.22Å; V83-D85 WeakPolarHBondContact CG1-OD1 3.37Å; V83-D85 PolarHBondContact O-N 3.09Å; D85-I87 VanDerWaalsContact C-N 3.31Å; D85-I87 PolarHBondContact O-N 2.81Å
86	K	60.3	Low	60.5	Low	131 Å²	131	93.6 Å²	93.6	57%	0.57	45%	0.454	S	S	*	.			trans	-75.3	100.8	175.6	-166.1	175.5	-176.4	-176.2	0	102	N84 Y88	N84-K86 HydrophobicContact CB-CB 4.47Å; N84-K86 PolarHBondContact O-N 2.79Å; K86-Y88 VanDerWaalsContact C-N 3.3Å; K86-Y88 HydrophobicContact CB-CD2 4.43Å; K86-Y88 HydrophobicContact CB-CE2 3.95Å; K86-Y88 HydrophobicContact CD-CE1 4.08Å; K86-Y88 HydrophobicContact CG-CE2 4.41Å; K86-Y88 WeakPolarHBondContact O-CD2 3.17Å; K86-Y88 WeakPolarHBondContact O-CE2 3.4Å; K86-Y88 PolarHBondContact O-N 3.37Å
87	I	60.4	Low	61.1	Low	64 Å²	64	95.2 Å²	95.2	33%	0.328	46%	0.455	S	S	.	.			trans	-66.1	102.1	170.2	-61.9	161.9	0	0	0	104.6	R24 D85 Y89 T90	R24-I87 HydrophobicContact CG-CG2 4.01Å; D85-I87 VanDerWaalsContact C-N 3.31Å; D85-I87 PolarHBondContact O-N 2.81Å; I87-Y89 VanDerWaalsContact C-N 3.34Å; I87-Y89 WeakPolarHBondContact CG2-O 3.44Å; I87-T90 WeakPolarHBondContact CG2-OG1 3.43Å
88	Y	63.8	Low	61.7	Low	65 Å²	65	99.8 Å²	99.8	26%	0.255	48%	0.475	S	S	.	.			trans	-70.7	-38.2	-179.5	-75.6	-88.2	0	0	0	110.9	L27 K86 L111 M115	L27-Y88 HydrophobicContact CB-CE2 3.74Å; K86-Y88 VanDerWaalsContact C-N 3.3Å; K86-Y88 HydrophobicContact CB-CD2 4.43Å; K86-Y88 HydrophobicContact CB-CE2 3.95Å; K86-Y88 HydrophobicContact CD-CE1 4.08Å; K86-Y88 HydrophobicContact CG-CE2 4.41Å; K86-Y88 WeakPolarHBondContact O-CD2 3.17Å; K86-Y88 WeakPolarHBondContact O-CE2 3.4Å; K86-Y88 PolarHBondContact O-N 3.37Å; Y88-L111 HydrophobicContact CD1-CD2 3.48Å; Y88-L111 VanDerWaalsContact CD1-CD2 3.48Å; Y88-L111 HydrophobicContact CD2-CD2 4.31Å; Y88-L111 HydrophobicContact CE1-CD2 3.94Å; Y88-L111 HydrophobicContact CG-CD1 4.19Å; Y88-L111 HydrophobicContact CG-CD2 3.68Å; Y88-M115 HydrophobicContact CE1-CE 3.63Å
89	Y	62.8	Low	62.5	Low	85 Å²	85	97 Å²	97	33%	0.333	46%	0.462	S	S	.	.			trans	-148	150.2	-175.5	-159.5	-118.8	0	0	0	112	I87 I91 E107	I87-Y89 VanDerWaalsContact C-N 3.34Å; I87-Y89 WeakPolarHBondContact CG2-O 3.44Å; Y89-I91 HydrophobicContact CD1-CD1 3.9Å; Y89-I91 HydrophobicContact CD1-CG1 3.4Å; Y89-I91 VanDerWaalsContact CD1-CG1 3.4Å; Y89-I91 HydrophobicContact CE1-CB 4.49Å; Y89-I91 HydrophobicContact CE1-CD1 3.69Å; Y89-I91 HydrophobicContact CE1-CG1 3.16Å; Y89-E107 HydrophobicContact CD1-CG 3.74Å; Y89-E107 HydrophobicContact CE1-CG 3.84Å; Y89-E107 HydrophobicContact CG-CG 4.17Å
90	T	66	Low	63.2	Low	62 Å²	62	96.8 Å²	96.8	38%	0.38	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	108.1	-179.2	-67.6	0	0	0	0	108.2	F22 I87	F22-T90 HydrophobicContact CB-CG2 4.16Å; F22-T90 HydrophobicContact CD1-CG2 3.12Å; F22-T90 HydrophobicContact CE1-CG2 3.65Å; F22-T90 HydrophobicContact CG-CG2 3.95Å; I87-T90 WeakPolarHBondContact CG2-OG1 3.43Å
91	I	64.6	Low	64	Low	6 Å²	6	95.9 Å²	95.9	3%	0.031	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.6	178.4	-54.3	171.2	0	0	0	109.9	Y89 L95 L100 L103 L104	Y89-I91 HydrophobicContact CD1-CD1 3.9Å; Y89-I91 HydrophobicContact CD1-CG1 3.4Å; Y89-I91 VanDerWaalsContact CD1-CG1 3.4Å; Y89-I91 HydrophobicContact CE1-CB 4.49Å; Y89-I91 HydrophobicContact CE1-CD1 3.69Å; Y89-I91 HydrophobicContact CE1-CG1 3.16Å; I91-L95 HydrophobicContact CG2-CD1 3.78Å; I91-L100 HydrophobicContact CB-CD1 3.64Å; I91-L100 HydrophobicContact CD1-CD1 3.95Å; I91-L100 HydrophobicContact CG1-CD1 4.39Å; I91-L100 HydrophobicContact CG2-CD1 3.25Å; I91-L103 HydrophobicContact CD1-CB 3.86Å; I91-L104 HydrophobicContact CD1-CD2 3.59Å; I91-L104 HydrophobicContact CD1-CG 3.65Å
92	H	66.4	Low	65.2	Low	88 Å²	88	89.5 Å²	89.5	41%	0.407	44%	0.435	S	S	.	.			trans	-77.2	133.5	171.8	-137.4	-87.2	0	0	0	109.4	V20 F22 N94	V20-H92 VanDerWaalsContact CG1-CE1 3.43Å; V20-H92 WeakPolarHBondContact CG1-CE1 3.31Å; F22-H92 AromaticContact CE1-CD2 3.71Å; H92-N94 PolarHBondContact O-N 2.87Å
93	P	64	Low	66.6	Low	34 Å²	34	85 Å²	85	22%	0.221	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	5.3	-173.2	33.2	-37.1	0	0	0	113.7	L19 V20 A21 L95	L19-P93 VanDerWaalsContact O-CG 3.31Å; L19-P93 WeakPolarHBondContact O-CG 3.22Å; V20-P93 HydrophobicContact CG1-CG 3.96Å; A21-P93 HydrophobicContact CB-CB 4.27Å; A21-P93 HydrophobicContact CB-CG 4.5Å; A21-P93 WeakPolarHBondContact O-CB 3.5Å; A21-P93 WeakPolarHBondContact O-CD 3.4Å; A21-P93 WeakPolarHBondContact O-CG 3.47Å; P93-L95 PolarHBondContact O-N 2.64Å; P93-L95 VanDerWaalsContact O-N 3.12Å
94	N	69.2	Low	67.7	Low	137 Å²	137	84.4 Å²	84.4	73%	0.733	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-2.6	177.2	-65	1.3	0	0	0	112.1	H92	H92-N94 PolarHBondContact O-N 2.87Å
95	L	69.1	Low	69.1	Low	74 Å²	74	84.2 Å²	84.2	39%	0.387	41%	0.407	S	S	.	.	S	Bend	trans	-83.8	144.1	172.6	-60.8	178.2	0	0	0	110.5	I91 P93 K97 F99 L103	I91-L95 HydrophobicContact CG2-CD1 3.78Å; P93-L95 PolarHBondContact O-N 2.64Å; P93-L95 VanDerWaalsContact O-N 3.12Å; L95-K97 PolarHBondContact O-N 3.01Å; L95-F99 HydrophobicContact CB-CB 4.47Å; L95-L103 HydrophobicContact CD1-CD1 3.38Å
96	L	76.9	Confident	70.3	Confident	125 Å²	125	82.9 Å²	82.9	65%	0.654	40%	0.403	S	S	*	.			trans	-53.9	139.7	170	-60.9	172	0	0	0	108.9	F98 F99 L100	L96-F98 PolarHBondContact O-N 2.8Å; L96-F99 HydrophobicContact CB-CD2 3.89Å; L96-F99 HydrophobicContact CB-CE2 4.5Å; L96-F99 HydrophobicContact CD1-CD2 4.1Å; L96-F99 HydrophobicContact CD1-CE2 3.88Å; L96-F99 HydrophobicContact CG-CD2 4.31Å; L96-F99 PolarHBondContact O-N 2.66Å; L96-L100 PolarHBondContact O-N 3Å
97	K	74.6	Confident	71	Confident	163 Å²	163	78.8 Å²	78.8	71%	0.709	39%	0.385	S	S	*	.	H	α-helix	trans	-48.1	-36.3	-178.2	-176.7	-178	177.4	-174.6	0	113	L95 L100 N101	L95-K97 PolarHBondContact O-N 3.01Å; K97-L100 PolarHBondContact O-N 3.05Å; K97-N101 VanDerWaalsContact O-CG 3.3Å; K97-N101 PolarHBondContact O-N 2.67Å
98	F	75.4	Confident	71.7	Confident	140 Å²	140	76.1 Å²	76.1	61%	0.614	37%	0.372	S	S	*	.	H	α-helix	trans	-59.7	-54.2	175.3	178.5	-98.4	0	0	0	112.2	L96 L100 N101 Q102	L96-F98 PolarHBondContact O-N 2.8Å; F98-L100 VanDerWaalsContact C-N 3.3Å; F98-L100 PolarHBondContact O-N 3Å; F98-N101 PolarHBondContact O-N 3.35Å; F98-Q102 PolarHBondContact O-N 3.25Å
99	F	75.1	Confident	72.4	Confident	102 Å²	102	75.2 Å²	75.2	45%	0.447	38%	0.378	S	S	.	.	H	α-helix	trans	-64.6	-35.7	177.6	-66.8	-58.6	0	0	0	112.4	L95 L96 Q102 L103	L95-F99 HydrophobicContact CB-CB 4.47Å; L96-F99 HydrophobicContact CB-CD2 3.89Å; L96-F99 HydrophobicContact CB-CE2 4.5Å; L96-F99 HydrophobicContact CD1-CD2 4.1Å; L96-F99 HydrophobicContact CD1-CE2 3.88Å; L96-F99 HydrophobicContact CG-CD2 4.31Å; L96-F99 PolarHBondContact O-N 2.66Å; F99-Q102 PolarHBondContact O-N 2.91Å; F99-L103 WeakPolarHBondContact O-CB 3.46Å; F99-L103 WeakPolarHBondContact O-CG 3.48Å; F99-L103 PolarHBondContact O-N 3.21Å
100	L	72	Confident	73.2	Confident	25 Å²	25	75.6 Å²	75.6	13%	0.131	39%	0.385	C	S	.	.	H	α-helix	trans	-58.2	-50.2	174.4	-177.9	66.3	0	0	0	110.6	I91 L96 K97 F98 L103 L104	I91-L100 HydrophobicContact CB-CD1 3.64Å; I91-L100 HydrophobicContact CD1-CD1 3.95Å; I91-L100 HydrophobicContact CG1-CD1 4.39Å; I91-L100 HydrophobicContact CG2-CD1 3.25Å; L96-L100 PolarHBondContact O-N 3Å; K97-L100 PolarHBondContact O-N 3.05Å; F98-L100 VanDerWaalsContact C-N 3.3Å; F98-L100 PolarHBondContact O-N 3Å; L100-L103 PolarHBondContact O-N 2.97Å; L100-L104 HydrophobicContact CD1-CD1 4.33Å; L100-L104 HydrophobicContact CG-CD1 3.97Å; L100-L104 WeakPolarHBondContact O-CB 3.37Å; L100-L104 VanDerWaalsContact O-CD1 3.24Å; L100-L104 WeakPolarHBondContact O-CD1 3.49Å; L100-L104 WeakPolarHBondContact O-CG 3.21Å; L100-L104 PolarHBondContact O-N 2.87Å
101	N	72.5	Confident	73.7	Confident	73 Å²	73	73 Å²	73	39%	0.39	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-43.7	178.2	-71.7	-10.4	0	0	0	112	K97 F98 L103 L104 E105	K97-N101 VanDerWaalsContact O-CG 3.3Å; K97-N101 PolarHBondContact O-N 2.67Å; F98-N101 PolarHBondContact O-N 3.35Å; N101-L103 PolarHBondContact O-N 2.89Å; N101-L104 WeakPolarHBondContact O-CB 3.44Å; N101-L104 PolarHBondContact O-N 2.99Å; N101-E105 WeakPolarHBondContact O-CG 3.1Å; N101-E105 PolarHBondContact O-N 2.72Å
102	Q	77.3	Confident	74.3	Confident	96 Å²	96	74.4 Å²	74.4	45%	0.449	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-43.5	179.5	-171	179	9.5	0	0	112	F98 F99 L104 E105 T106	F98-Q102 PolarHBondContact O-N 3.25Å; F99-Q102 PolarHBondContact O-N 2.91Å; Q102-L104 VanDerWaalsContact C-N 3.31Å; Q102-L104 PolarHBondContact O-N 3.18Å; Q102-E105 PolarHBondContact O-N 2.95Å; Q102-T106 WeakPolarHBondContact O-CB 3.4Å; Q102-T106 PolarHBondContact O-N 3.29Å; Q102-T106 PolarHBondContact O-OG1 3.34Å
103	L	76.8	Confident	74.8	Confident	60 Å²	60	76.1 Å²	76.1	31%	0.314	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-40.3	174.8	-78.1	169	0	0	0	111.6	I91 L95 F99 L100 N101 T106 E107	I91-L103 HydrophobicContact CD1-CB 3.86Å; L95-L103 HydrophobicContact CD1-CD1 3.38Å; F99-L103 WeakPolarHBondContact O-CB 3.46Å; F99-L103 WeakPolarHBondContact O-CG 3.48Å; F99-L103 PolarHBondContact O-N 3.21Å; L100-L103 PolarHBondContact O-N 2.97Å; N101-L103 PolarHBondContact O-N 2.89Å; L103-T106 PolarHBondContact O-N 2.77Å; L103-E107 WeakPolarHBondContact O-CB 3.28Å; L103-E107 VanDerWaalsContact O-CG 3.31Å; L103-E107 WeakPolarHBondContact O-CG 3.35Å; L103-E107 PolarHBondContact O-N 3.1Å
104	L	73.3	Confident	75.6	Confident	12 Å²	12	81 Å²	81	6%	0.063	41%	0.407	C	S	.	.	H	α-helix	trans	-65.1	-44.7	177.7	-72.3	161.2	0	0	0	112.5	M23 I91 L100 N101 Q102 T106 E107 E108	M23-L104 HydrophobicContact CB-CD1 4.4Å; M23-L104 HydrophobicContact CB-CD2 3.85Å; M23-L104 HydrophobicContact CE-CD1 3.54Å; M23-L104 HydrophobicContact CE-CD2 3.97Å; M23-L104 HydrophobicContact CE-CG 4.26Å; M23-L104 HydrophobicContact CG-CD1 4Å; M23-L104 HydrophobicContact CG-CD2 3.48Å; M23-L104 VanDerWaalsContact CG-CD2 3.48Å; M23-L104 HydrophobicContact CG-CG 4.37Å; M23-L104 HydrophobicContact SD-CD1 3.16Å; M23-L104 WeakPolarHBondContact SD-CD1 3.14Å; M23-L104 HydrophobicContact SD-CD2 3.82Å; M23-L104 HydrophobicContact SD-CG 4.1Å; I91-L104 HydrophobicContact CD1-CD2 3.59Å; I91-L104 HydrophobicContact CD1-CG 3.65Å; L100-L104 HydrophobicContact CD1-CD1 4.33Å; L100-L104 HydrophobicContact CG-CD1 3.97Å; L100-L104 WeakPolarHBondContact O-CB 3.37Å; L100-L104 VanDerWaalsContact O-CD1 3.24Å; L100-L104 WeakPolarHBondContact O-CD1 3.49Å; L100-L104 WeakPolarHBondContact O-CG 3.21Å; L100-L104 PolarHBondContact O-N 2.87Å; N101-L104 WeakPolarHBondContact O-CB 3.44Å; N101-L104 PolarHBondContact O-N 2.99Å; Q102-L104 VanDerWaalsContact C-N 3.31Å; Q102-L104 PolarHBondContact O-N 3.18Å; L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 2.99Å; L104-E107 PolarHBondContact O-N 3.25Å; L104-E108 WeakPolarHBondContact O-CB 3.45Å; L104-E108 PolarHBondContact O-N 3.25Å
105	E	77.1	Confident	75.9	Confident	126 Å²	126	76.2 Å²	76.2	59%	0.589	38%	0.381	S	S	*	.	H	α-helix	trans	-62.6	-39.8	176.2	-73.2	174.2	-178.3	0	0	110.9	N101 Q102 A109	N101-E105 WeakPolarHBondContact O-CG 3.1Å; N101-E105 PolarHBondContact O-N 2.72Å; Q102-E105 PolarHBondContact O-N 2.95Å; E105-A109 VanDerWaalsContact O-CB 3.28Å; E105-A109 WeakPolarHBondContact O-CB 3.37Å; E105-A109 PolarHBondContact O-N 2.85Å
106	T	78.2	Confident	76.5	Confident	73 Å²	73	81 Å²	81	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-65.4	-50.1	177.1	-53.7	0	0	0	0	111.7	Q102 L103 L104 A109 L110	Q102-T106 WeakPolarHBondContact O-CB 3.4Å; Q102-T106 PolarHBondContact O-N 3.29Å; Q102-T106 PolarHBondContact O-OG1 3.34Å; L103-T106 PolarHBondContact O-N 2.77Å; L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 2.99Å; T106-A109 WeakPolarHBondContact O-CB 3.45Å; T106-A109 PolarHBondContact O-N 2.89Å; T106-L110 HydrophobicContact CG2-CD1 4.43Å; T106-L110 WeakPolarHBondContact O-CG 3.48Å; T106-L110 PolarHBondContact O-N 2.87Å
107	E	76.2	Confident	76.6	Confident	45 Å²	45	75.3 Å²	75.3	21%	0.21	37%	0.369	C	S	.	.	H	α-helix	trans	-64.9	-39.4	178.4	-74.9	-71.9	164.6	0	0	112	I25 Y89 L103 L104 A109 L110 L111	I25-E107 HydrophobicContact CD1-CB 3.94Å; Y89-E107 HydrophobicContact CD1-CG 3.74Å; Y89-E107 HydrophobicContact CE1-CG 3.84Å; Y89-E107 HydrophobicContact CG-CG 4.17Å; L103-E107 WeakPolarHBondContact O-CB 3.28Å; L103-E107 VanDerWaalsContact O-CG 3.31Å; L103-E107 WeakPolarHBondContact O-CG 3.35Å; L103-E107 PolarHBondContact O-N 3.1Å; L104-E107 PolarHBondContact O-N 3.25Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-L110 PolarHBondContact O-N 3.33Å; E107-L111 WeakPolarHBondContact O-CB 3.38Å; E107-L111 WeakPolarHBondContact O-CG 3.39Å; E107-L111 PolarHBondContact O-N 3.48Å
108	E	73.6	Confident	76.7	Confident	8 Å²	8	74.5 Å²	74.5	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-63.1	-43	174.2	-173.5	176.2	-171.6	0	0	110.9	I37 L104 L111 I112 R120	I37-E108 HydrophobicContact CG2-CG 4.44Å; L104-E108 WeakPolarHBondContact O-CB 3.45Å; L104-E108 PolarHBondContact O-N 3.25Å; E108-L111 PolarHBondContact O-N 3.24Å; E108-I112 HydrophobicContact CG-CD1 4.03Å; E108-I112 WeakPolarHBondContact O-CB 3.41Å; E108-I112 WeakPolarHBondContact O-CG1 3.36Å; E108-I112 PolarHBondContact O-N 3.34Å; E108-R120 IonicContact OE1-CZ 3.64Å; E108-R120 IonicContact OE1-NE 3.76Å; E108-R120 PolarHBondContact OE1-NE 3.08Å; E108-R120 IonicContact OE1-NH2 2.73Å; E108-R120 PolarHBondContact OE1-NH2 2.9Å; E108-R120 IonicContact OE2-CZ 3.38Å; E108-R120 IonicContact OE2-NE 2.72Å; E108-R120 IonicContact OE2-NH2 3.25Å; E108-R120 PolarHBondContact OE2-NH2 3.12Å
109	A	79.3	Confident	76.5	Confident	46 Å²	46	69.7 Å²	69.7	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-44.2	175	0	0	0	0	0	111.8	E105 T106 E107 L111 I112 L113	E105-A109 VanDerWaalsContact O-CB 3.28Å; E105-A109 WeakPolarHBondContact O-CB 3.37Å; E105-A109 PolarHBondContact O-N 2.85Å; T106-A109 WeakPolarHBondContact O-CB 3.45Å; T106-A109 PolarHBondContact O-N 2.89Å; E107-A109 VanDerWaalsContact C-N 3.34Å; A109-L111 PolarHBondContact O-N 3.49Å; A109-I112 PolarHBondContact O-N 2.83Å; A109-L113 WeakPolarHBondContact O-CB 3.5Å; A109-L113 VanDerWaalsContact O-CG 3.28Å; A109-L113 WeakPolarHBondContact O-CG 3.21Å; A109-L113 PolarHBondContact O-N 2.93Å
110	L	80.2	Confident	76.3	Confident	93 Å²	93	67.7 Å²	67.7	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-60.4	-44.8	176	-72.3	174.8	0	0	0	111.8	T106 E107 I112 L113 E114	T106-L110 HydrophobicContact CG2-CD1 4.43Å; T106-L110 WeakPolarHBondContact O-CG 3.48Å; T106-L110 PolarHBondContact O-N 2.87Å; E107-L110 PolarHBondContact O-N 3.33Å; L110-I112 PolarHBondContact O-N 3.38Å; L110-L113 PolarHBondContact O-N 2.9Å; L110-E114 WeakPolarHBondContact O-CB 3.2Å; L110-E114 PolarHBondContact O-N 3.25Å
111	L	76.4	Confident	76	Confident	7 Å²	7	66.8 Å²	66.8	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-36.8	176.6	-75.8	167.9	0	0	0	112.5	I25 I37 Y88 E107 E108 A109 L113 M115	I25-L111 HydrophobicContact CB-CD1 3.91Å; I25-L111 HydrophobicContact CD1-CD1 3.78Å; I25-L111 HydrophobicContact CG1-CD1 4.45Å; I25-L111 HydrophobicContact CG2-CD1 3.51Å; I37-L111 HydrophobicContact CD1-CB 3.87Å; Y88-L111 HydrophobicContact CD1-CD2 3.48Å; Y88-L111 VanDerWaalsContact CD1-CD2 3.48Å; Y88-L111 HydrophobicContact CD2-CD2 4.31Å; Y88-L111 HydrophobicContact CE1-CD2 3.94Å; Y88-L111 HydrophobicContact CG-CD1 4.19Å; Y88-L111 HydrophobicContact CG-CD2 3.68Å; E107-L111 WeakPolarHBondContact O-CB 3.38Å; E107-L111 WeakPolarHBondContact O-CG 3.39Å; E107-L111 PolarHBondContact O-N 3.48Å; E108-L111 PolarHBondContact O-N 3.24Å; A109-L111 PolarHBondContact O-N 3.49Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-M115 WeakPolarHBondContact O-CB 3.26Å; L111-M115 WeakPolarHBondContact O-CG 3.28Å; L111-M115 PolarHBondContact O-N 3.31Å
112	I	75.8	Confident	75.5	Confident	35 Å²	35	66.5 Å²	66.5	18%	0.179	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-45.3	173.1	-72.3	167	0	0	0	110	I37 E108 A109 L110 K116 P117 L129	I37-I112 HydrophobicContact CD1-CG1 3.88Å; E108-I112 HydrophobicContact CG-CD1 4.03Å; E108-I112 WeakPolarHBondContact O-CB 3.41Å; E108-I112 WeakPolarHBondContact O-CG1 3.36Å; E108-I112 PolarHBondContact O-N 3.34Å; A109-I112 PolarHBondContact O-N 2.83Å; L110-I112 PolarHBondContact O-N 3.38Å; I112-K116 VanDerWaalsContact O-CA 3.26Å; I112-K116 WeakPolarHBondContact O-CA 3.29Å; I112-K116 PolarHBondContact O-N 2.9Å; I112-P117 HydrophobicContact CB-CG 4.44Å; I112-P117 HydrophobicContact CG1-CG 4.13Å; I112-P117 HydrophobicContact CG2-CG 4.42Å; I112-P117 WeakPolarHBondContact O-CD 3.5Å; I112-L129 HydrophobicContact CD1-CD1 4.36Å; I112-L129 HydrophobicContact CD1-CD2 4.29Å; I112-L129 HydrophobicContact CG1-CD1 4.23Å; I112-L129 HydrophobicContact CG2-CD1 4.05Å
113	L	77.7	Confident	74.8	Confident	125 Å²	125	69.7 Å²	69.7	65%	0.654	34%	0.34	S	S	*	.	H	α-helix	trans	-64	-45	179	-71.8	170.1	0	0	0	112.2	A109 L110 L111	A109-L113 WeakPolarHBondContact O-CB 3.5Å; A109-L113 VanDerWaalsContact O-CG 3.28Å; A109-L113 WeakPolarHBondContact O-CG 3.21Å; A109-L113 PolarHBondContact O-N 2.93Å; L110-L113 PolarHBondContact O-N 2.9Å; L111-L113 VanDerWaalsContact C-N 3.34Å
114	E	80.2	Confident	73.8	Confident	137 Å²	137	74.1 Å²	74.1	64%	0.64	36%	0.357	S	S	*	.	H	α-helix	trans	-69.7	-48.6	-178.7	-172.2	-175.2	175.1	0	0	111.7	L110	L110-E114 WeakPolarHBondContact O-CB 3.2Å; L110-E114 PolarHBondContact O-N 3.25Å
115	M	76.6	Confident	73.1	Confident	36 Å²	36	81.2 Å²	81.2	18%	0.177	38%	0.384	C	S	.	.	H	α-helix	trans	-89.5	-15.9	-170.2	-61.1	-68.2	164.9	0	0	113.5	L27 Y88 L111 P117	L27-M115 HydrophobicContact CD1-CB 4.34Å; L27-M115 HydrophobicContact CD2-CB 4.43Å; L27-M115 HydrophobicContact CD2-CG 4.04Å; L27-M115 HydrophobicContact CD2-SD 3.84Å; Y88-M115 HydrophobicContact CE1-CE 3.63Å; L111-M115 WeakPolarHBondContact O-CB 3.26Å; L111-M115 WeakPolarHBondContact O-CG 3.28Å; L111-M115 PolarHBondContact O-N 3.31Å; M115-P117 VanDerWaalsContact C-N 3.34Å
116	K	81	Confident	72.5	Confident	173 Å²	173	78.5 Å²	78.5	75%	0.752	38%	0.376	S	S	*	.			trans	43.9	54.3	-174.8	-59.8	-178.6	-179.8	179.8	0	112.1	I112	I112-K116 VanDerWaalsContact O-CA 3.26Å; I112-K116 WeakPolarHBondContact O-CA 3.29Å; I112-K116 PolarHBondContact O-N 2.9Å
117	P	79	Confident	71.9	Confident	7 Å²	7	79.4 Å²	79.4	5%	0.045	38%	0.377	C	S	.	.			trans	-64.3	151.1	178.7	31.4	-35.1	0	0	0	109.8	R35 I37 I112 M115 L129	R35-P117 HydrophobicContact CB-CB 4.32Å; I37-P117 HydrophobicContact CD1-CB 4.36Å; I37-P117 HydrophobicContact CD1-CG 3.64Å; I37-P117 HydrophobicContact CG1-CB 4.15Å; I37-P117 HydrophobicContact CG1-CG 3.93Å; I112-P117 HydrophobicContact CB-CG 4.44Å; I112-P117 HydrophobicContact CG1-CG 4.13Å; I112-P117 HydrophobicContact CG2-CG 4.42Å; I112-P117 WeakPolarHBondContact O-CD 3.5Å; M115-P117 VanDerWaalsContact C-N 3.34Å; P117-L129 HydrophobicContact CB-CD1 4.35Å; P117-L129 HydrophobicContact CG-CD1 3.61Å; P117-L129 WeakPolarHBondContact O-CD1 3.49Å
118	K	76.6	Confident	71.6	Confident	145 Å²	145	80 Å²	80	63%	0.63	39%	0.386	S	S	*	.	S	Bend	trans	-78.2	-31.5	177.8	-67.3	-175.4	178.9	179.6	0	111.6	R35 L129	R35-K118 PolarHBondContact O-N 3.41Å; K118-L129 PolarHBondContact O-N 2.8Å; K118-L129 VanDerWaalsContact O-N 3.11Å
119	L	71.9	Confident	71.3	Confident	39 Å²	39	81.2 Å²	81.2	20%	0.204	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.4	-169.8	-60.9	174.3	0	0	0	110.8	A34 R35 Y36 V126 L127	A34-L119 HydrophobicContact CB-CD1 4.41Å; R35-L119 PolarHBondContact O-N 2.88Å; Y36-L119 HydrophobicContact CD1-CB 3.78Å; Y36-L119 HydrophobicContact CD1-CD1 4.13Å; Y36-L119 HydrophobicContact CE1-CB 3.86Å; Y36-L119 HydrophobicContact CE1-CD1 3.32Å; Y36-L119 HydrophobicContact CE1-CG 4.21Å; L119-V126 HydrophobicContact CB-CG1 4.22Å; L119-V126 HydrophobicContact CD1-CG1 4.29Å; L119-V126 HydrophobicContact CD2-CG1 4.35Å; L119-L127 WeakPolarHBondContact CA-O 3.47Å
120	R	70.4	Confident	70.7	Confident	60 Å²	60	84 Å²	84	23%	0.226	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.8	169.6	-174.6	-177	-174.3	-174.1	7.8	109	E108 Q122 V126 L127 L129	E108-R120 IonicContact OE1-CZ 3.64Å; E108-R120 IonicContact OE1-NE 3.76Å; E108-R120 PolarHBondContact OE1-NE 3.08Å; E108-R120 IonicContact OE1-NH2 2.73Å; E108-R120 PolarHBondContact OE1-NH2 2.9Å; E108-R120 IonicContact OE2-CZ 3.38Å; E108-R120 IonicContact OE2-NE 2.72Å; E108-R120 IonicContact OE2-NH2 3.25Å; E108-R120 PolarHBondContact OE2-NH2 3.12Å; R120-Q122 HydrophobicContact CG-CG 4.47Å; R120-V126 WeakPolarHBondContact O-CA 3.22Å; R120-L127 PolarHBondContact N-O 3.49Å; R120-L127 PolarHBondContact O-N 2.89Å; R120-L129 HydrophobicContact CB-CD1 4.07Å; R120-L129 HydrophobicContact CB-CD2 3.88Å; R120-L129 HydrophobicContact CB-CG 3.94Å
121	V	65.7	Low	69.3	Low	6 Å²	6	84.5 Å²	84.5	4%	0.036	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.1	174.4	-162.5	0	0	0	0	111	Y36 I37 V68 Y125 V126	Y36-V121 HydrophobicContact CD1-CG2 3.62Å; Y36-V121 HydrophobicContact CE1-CG2 4.42Å; Y36-V121 HydrophobicContact CG-CG2 4.46Å; I37-V121 PolarHBondContact O-N 2.84Å; V68-V121 HydrophobicContact CB-CB 4.37Å; V68-V121 HydrophobicContact CB-CG1 4.03Å; V68-V121 HydrophobicContact CG1-CB 3.7Å; V68-V121 HydrophobicContact CG1-CG1 3.65Å; V68-V121 HydrophobicContact CG1-CG2 3.87Å; V68-V121 HydrophobicContact CG2-CB 3.83Å; V68-V121 HydrophobicContact CG2-CG1 3.48Å; V68-V121 VanDerWaalsContact CG2-CG1 3.48Å; V121-Y125 WeakPolarHBondContact CA-O 3.14Å; V121-V126 HydrophobicContact CG1-CG2 3.91Å; V121-V126 HydrophobicContact CG2-CG1 4.39Å; V121-V126 HydrophobicContact CG2-CG2 4.12Å
122	Q	63.3	Low	67.8	Low	67 Å²	67	92.8 Å²	92.8	31%	0.313	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	113.8	174.6	-73.6	-168.5	-23.5	0	0	110.6	R120 K124 Y125	R120-Q122 HydrophobicContact CG-CG 4.47Å; Q122-K124 VanDerWaalsContact C-N 3.27Å; Q122-K124 PolarHBondContact O-N 3.37Å; Q122-Y125 PolarHBondContact N-O 2.89Å; Q122-Y125 PolarHBondContact O-N 3.49Å
123	K	61.7	Low	67.4	Low	164 Å²	164	95.7 Å²	95.7	71%	0.713	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	-76.6	175.8	-69.8	-176.7	178.5	176.5	0	115.3	S67	S67-K123 PolarHBondContact OG-O 3.11Å
124	K	56.8	Low	66.8	Low	153 Å²	153	94.2 Å²	94.2	67%	0.665	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	3.1	-176.4	-65.4	-172.5	177.2	-174.8	0	114.3	R71 Q122	R71-K124 PolarHBondContact NH1-O 2.95Å; Q122-K124 VanDerWaalsContact C-N 3.27Å; Q122-K124 PolarHBondContact O-N 3.37Å
125	Y	57.7	Low	66.1	Low	161 Å²	161	91.8 Å²	91.8	63%	0.631	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.2	-175.3	-56.9	-79.8	0	0	0	110.3	V121 Q122	V121-Y125 WeakPolarHBondContact CA-O 3.14Å; Q122-Y125 PolarHBondContact N-O 2.89Å; Q122-Y125 PolarHBondContact O-N 3.49Å
126	V	64.2	Low	65.5	Low	69 Å²	69	95.1 Å²	95.1	42%	0.418	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121	164.9	-178.8	0	0	0	0	105.5	L119 R120 V121	L119-V126 HydrophobicContact CB-CG1 4.22Å; L119-V126 HydrophobicContact CD1-CG1 4.29Å; L119-V126 HydrophobicContact CD2-CG1 4.35Å; R120-V126 WeakPolarHBondContact O-CA 3.22Å; V121-V126 HydrophobicContact CG1-CG2 3.91Å; V121-V126 HydrophobicContact CG2-CG1 4.39Å; V121-V126 HydrophobicContact CG2-CG2 4.12Å
127	L	66.5	Low	64.5	Low	92 Å²	92	90.2 Å²	90.2	48%	0.482	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.8	178.9	-69.5	168.5	0	0	0	109	L119 R120	L119-L127 WeakPolarHBondContact CA-O 3.47Å; R120-L127 PolarHBondContact N-O 3.49Å; R120-L127 PolarHBondContact O-N 2.89Å
128	S	70.1	Confident	63.5	Low	57 Å²	57	95.7 Å²	95.7	40%	0.399	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.1	167	-167.5	0	0	0	0	109.3	S130	S128-S130 VanDerWaalsContact C-N 3.33Å; S128-S130 PolarHBondContact OG-N 3.28Å; S128-S130 PolarHBondContact OG-OG 3.06Å
129	L	67.4	Low	62.6	Low	34 Å²	34	92.2 Å²	92.2	18%	0.178	49%	0.488	C	S	.	.	S	Bend	trans	-87.1	-8.4	173.8	-71.4	169.3	0	0	0	112.3	I112 P117 K118 R120 S131 T132	I112-L129 HydrophobicContact CD1-CD1 4.36Å; I112-L129 HydrophobicContact CD1-CD2 4.29Å; I112-L129 HydrophobicContact CG1-CD1 4.23Å; I112-L129 HydrophobicContact CG2-CD1 4.05Å; P117-L129 HydrophobicContact CB-CD1 4.35Å; P117-L129 HydrophobicContact CG-CD1 3.61Å; P117-L129 WeakPolarHBondContact O-CD1 3.49Å; K118-L129 PolarHBondContact O-N 2.8Å; K118-L129 VanDerWaalsContact O-N 3.11Å; R120-L129 HydrophobicContact CB-CD1 4.07Å; R120-L129 HydrophobicContact CB-CD2 3.88Å; R120-L129 HydrophobicContact CB-CG 3.94Å; L129-S131 PolarHBondContact O-N 3.38Å; L129-T132 PolarHBondContact O-OG1 3.36Å
130	S	66.4	Low	61.9	Low	105 Å²	105	96.3 Å²	96.3	73%	0.734	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	11.5	-177.7	68.2	0	0	0	0	115	S128	S128-S130 VanDerWaalsContact C-N 3.33Å; S128-S130 PolarHBondContact OG-N 3.28Å; S128-S130 PolarHBondContact OG-OG 3.06Å
131	S	51.3	Low	61.2	Low	103 Å²	103	99.3 Å²	99.3	72%	0.72	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	13.5	-176.4	52.2	0	0	0	0	114.2	L129	L129-S131 PolarHBondContact O-N 3.38Å
132	T	43.1	Very low	60.8	Low	181 Å²	181	107.8 Å²	107.8	100%	1.11	58%	0.579	S	S	*	*			trans	-122.9	0	169.6	37	0	0	0	0	109	L129	L129-T132 PolarHBondContact O-OG1 3.36Å

Retrieved 132 of 132 residues in 43.3 ms (Link to these results)

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