A0A077Z9D2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9D2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 aa.

						>A0A077Z9D2_TRITR|A0A077Z9D2
MYTFRCSLIFAWFLFPTIPLPVEACGTFSSARKNKYRITALFDSPLPSKQKAQIDNLLGPNLSIEFKLSALKTKPIETSSPERSIEIVDHSYPNGRMADCRIRIKGPSLGTNEMVHVQEVIRSQMNVLVRPNTVRSVQVTPV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	42.6	Very low	245 Å²	245	158.4 Å²	158.4	100%	1.207	80%	0.801	S	S	*	*				0	126.6	0	-82.6	169.4	128.9	0	0	108.1	T3	M1-T3 PolarHBondContact O-N 3.45Å
2	Y	41.1	Very low	42.7	Very low	231 Å²	231	164.5 Å²	164.5	91%	0.906	81%	0.807	S	S	*	*			trans	-67.7	117	-157.2	-75.4	-98.3	0	0	0	114.7
3	T	43.9	Very low	43.1	Very low	114 Å²	114	165.8 Å²	165.8	70%	0.699	81%	0.807	S	S	*	*			trans	0	127	135.9	47.5	0	0	0	0	117.8	M1	M1-T3 PolarHBondContact O-N 3.45Å
4	F	39.6	Very low	43.1	Very low	180 Å²	180	163.7 Å²	163.7	79%	0.789	80%	0.8	S	S	*	*				90.2	132.9	85.7	-137	-107.3	0	0	0	112.7
5	R	39.2	Very low	42.8	Very low	210 Å²	210	166.5 Å²	166.5	79%	0.792	81%	0.807	S	S	*	*			trans	72.3	96.9	164.4	-71.8	170	168.5	-163.6	-6	119.1
6	C	43.6	Very low	43	Very low	122 Å²	122	162.9 Å²	162.9	82%	0.824	80%	0.801	S	S	*	*			trans	-151.3	70.5	135.7	-109.2	0	0	0	0	109.3
7	S	41.5	Very low	42.9	Very low	81 Å²	81	160.8 Å²	160.8	57%	0.566	80%	0.799	S	S	*	*			trans	-48.3	145.5	155.8	46.5	0	0	0	0	112
8	L	42.9	Very low	42.7	Very low	160 Å²	160	159.9 Å²	159.9	84%	0.838	80%	0.796	S	S	*	*	S	Bend	trans	71.5	34.8	143.3	-69	158.1	0	0	0	119
9	I	48.1	Very low	42.7	Very low	129 Å²	129	157.1 Å²	157.1	66%	0.662	79%	0.79	S	S	*	*	S	Bend	trans	-125	-14	174.2	-49.2	-179.3	0	0	0	114.9	A11	I9-A11 VanDerWaalsContact C-N 3.34Å; I9-A11 PolarHBondContact O-N 3.48Å
10	F	42.2	Very low	42.3	Very low	182 Å²	182	156.9 Å²	156.9	80%	0.798	79%	0.791	S	S	*	*	S	Bend	trans	-95.3	19	172.5	-89.4	-83.5	0	0	0	114.4	L14	F10-L14 HydrophobicContact CD1-CD1 4.19Å; F10-L14 HydrophobicContact CE1-CD1 4.25Å
11	A	45.5	Very low	41.8	Very low	88 Å²	88	153.4 Å²	153.4	73%	0.727	78%	0.779	S	S	*	*	S	Bend	trans	-91.9	12.2	177.3	0	0	0	0	0	114.3	I9	I9-A11 VanDerWaalsContact C-N 3.34Å; I9-A11 PolarHBondContact O-N 3.48Å
12	W	44.4	Very low	41.5	Very low	232 Å²	232	148.1 Å²	148.1	88%	0.879	76%	0.76	S	S	*	*	S	Bend	trans	-142.8	0.4	-175.2	-141.1	-27.4	0	0	0	117.3
13	F	47.9	Very low	40.9	Very low	182 Å²	182	144.1 Å²	144.1	80%	0.798	75%	0.75	S	S	*	*	S	Bend	trans	-129.6	6.8	-167.9	-95.3	-81.1	0	0	0	118.3
14	L	42.9	Very low	40.2	Very low	136 Å²	136	142.7 Å²	142.7	71%	0.712	75%	0.75	S	S	*	*	S	Bend	trans	-130.4	15.4	-177.2	-75.4	169.9	0	0	0	116.1	F10 P16	F10-L14 HydrophobicContact CD1-CD1 4.19Å; F10-L14 HydrophobicContact CE1-CD1 4.25Å; L14-P16 VanDerWaalsContact C-CD 3.49Å; L14-P16 WeakPolarHBondContact O-CD 3.13Å
15	F	38.6	Very low	39.6	Very low	205 Å²	205	139.3 Å²	139.3	90%	0.899	75%	0.747	S	S	*	*			trans	-99.5	92	157.8	-77	-78.2	0	0	0	108.3	T17	F15-T17 PolarHBondContact O-N 2.76Å
16	P	45.9	Very low	38.9	Very low	110 Å²	110	131.6 Å²	131.6	71%	0.714	73%	0.733	S	S	*	*			trans	-61.4	110.2	160.8	27.1	-28.6	0	0	0	105.9	L14 I18	L14-P16 VanDerWaalsContact C-CD 3.49Å; L14-P16 WeakPolarHBondContact O-CD 3.13Å; P16-I18 PolarHBondContact O-N 2.84Å; P16-I18 VanDerWaalsContact O-N 3.08Å
17	T	41.8	Very low	38.1	Very low	127 Å²	127	132.1 Å²	132.1	78%	0.779	73%	0.733	S	S	*	*			trans	-26.9	114.3	154.5	38.8	0	0	0	0	109.2	F15 P19	F15-T17 PolarHBondContact O-N 2.76Å; T17-P19 WeakPolarHBondContact O-CD 3.44Å
18	I	38.7	Very low	37.5	Very low	144 Å²	144	133.4 Å²	133.4	74%	0.738	73%	0.728	S	S	*	*			trans	-43.9	108.4	171.6	-64.9	161.7	0	0	0	106.6	P16 L20	P16-I18 PolarHBondContact O-N 2.84Å; P16-I18 VanDerWaalsContact O-N 3.08Å; I18-L20 HydrophobicContact CG2-CG 4.24Å; I18-L20 PolarHBondContact O-N 3.02Å
19	P	42.5	Very low	36.7	Very low	106 Å²	106	130.3 Å²	130.3	69%	0.688	72%	0.72	S	S	*	*			trans	-74.4	107.7	169	32	-25.9	0	0	0	103.4	T17 P21	T17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-P21 VanDerWaalsContact CB-CD 3.46Å; P19-P21 HydrophobicContact CB-CG 4.2Å; P19-P21 WeakPolarHBondContact O-CD 3.33Å
20	L	34.4	Very low	35.8	Very low	154 Å²	154	129.1 Å²	129.1	81%	0.806	72%	0.723	S	S	*	*			trans	-84.6	76.8	154.3	-86.6	152.6	0	0	0	108.2	I18	I18-L20 HydrophobicContact CG2-CG 4.24Å; I18-L20 PolarHBondContact O-N 3.02Å
21	P	32.9	Very low	35.2	Very low	83 Å²	83	124.8 Å²	124.8	54%	0.539	72%	0.721	S	S	.	*			trans	-114	84.4	146.6	36.9	-26.7	0	0	0	104.7	P19 E23	P19-P21 VanDerWaalsContact CB-CD 3.46Å; P19-P21 HydrophobicContact CB-CG 4.2Å; P19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-E23 HydrophobicContact CB-CG 4.33Å; P21-E23 PolarHBondContact O-N 2.88Å
22	V	34.2	Very low	34.8	Very low	134 Å²	134	131.3 Å²	131.3	81%	0.812	73%	0.727	S	S	*	*			trans	-73.6	78.5	146.9	-168.2	0	0	0	0	104.2	A24	V22-A24 VanDerWaalsContact C-N 3.31Å; V22-A24 PolarHBondContact O-N 2.98Å
23	E	27.7	Very low	35	Very low	148 Å²	148	127.1 Å²	127.1	69%	0.692	72%	0.715	S	S	*	*			trans	-47	106.5	155.5	-79.9	176.8	140.5	0	0	105.6	P21 C25	P21-E23 HydrophobicContact CB-CG 4.33Å; P21-E23 PolarHBondContact O-N 2.88Å; E23-C25 PolarHBondContact O-N 2.96Å
24	A	30.6	Very low	35.5	Very low	84 Å²	84	121 Å²	121	69%	0.694	69%	0.69	S	S	*	*			trans	-68.2	68.7	158.9	0	0	0	0	0	107.4	V22 G26	V22-A24 VanDerWaalsContact C-N 3.31Å; V22-A24 PolarHBondContact O-N 2.98Å; A24-G26 PolarHBondContact O-N 2.76Å
25	C	25.7	Very low	36.6	Very low	109 Å²	109	119.6 Å²	119.6	74%	0.736	68%	0.678	S	S	*	*			trans	-69.3	64.4	158.8	-87	0	0	0	0	107.6	E23	E23-C25 PolarHBondContact O-N 2.96Å
26	G	25.4	Very low	37.9	Very low	47 Å²	47	110 Å²	110	49%	0.485	64%	0.636	S	S	.	*			trans	-94	97.7	165.2	0	0	0	0	0	107.2	A24 F28	A24-G26 PolarHBondContact O-N 2.76Å; G26-F28 WeakPolarHBondContact O-CD2 3.01Å; G26-F28 PolarHBondContact O-N 3.06Å
27	T	26.2	Very low	38.8	Very low	134 Å²	134	109.4 Å²	109.4	82%	0.822	62%	0.62	S	S	*	*			trans	-53.6	108.2	161	31.9	0	0	0	0	107.8	S29	T27-S29 PolarHBondContact O-N 2.89Å
28	F	29.3	Very low	40.1	Very low	108 Å²	108	103.8 Å²	103.8	47%	0.474	59%	0.585	S	S	.	*			trans	-71.3	67.4	172.7	-72.3	-87.9	0	0	0	109.5	G26 S30 S108	G26-F28 WeakPolarHBondContact O-CD2 3.01Å; G26-F28 PolarHBondContact O-N 3.06Å; F28-S30 PolarHBondContact O-N 3.08Å; F28-S108 WeakPolarHBondContact CB-OG 3.1Å
29	S	26.2	Very low	41.3	Very low	94 Å²	94	97.9 Å²	97.9	66%	0.657	56%	0.556	S	S	*	*			trans	-92.2	101.2	-179.6	-178.4	0	0	0	0	109.6	T27	T27-S29 PolarHBondContact O-N 2.89Å
30	S	29.9	Very low	42.5	Very low	105 Å²	105	92.9 Å²	92.9	73%	0.734	52%	0.523	S	S	*	.	S	Bend	trans	61.9	138	150.6	83.1	0	0	0	0	119.1	F28	F28-S30 PolarHBondContact O-N 3.08Å
31	A	28.5	Very low	44.1	Very low	91 Å²	91	88.4 Å²	88.4	75%	0.752	50%	0.5	S	S	*	.			trans	69.1	80.9	158.3	0	0	0	0	0	117.6
32	R	37.2	Very low	45.8	Very low	224 Å²	224	84.9 Å²	84.9	85%	0.845	48%	0.476	S	S	*	.	S	Bend		169	125.6	124.7	-93.9	162.1	-174.2	-162.1	3.2	107.8	N34	R32-N34 WeakPolarHBondContact O-CA 3.1Å; R32-N34 PolarHBondContact O-N 2.97Å; R32-N34 PolarHBondContact O-OD1 3.5Å
33	K	47.9	Very low	47.4	Very low	145 Å²	145	82.6 Å²	82.6	63%	0.63	46%	0.459	S	S	*	.			trans	-7.3	91.3	163.6	-69.4	168.9	173.9	-171.1	0	112	K35	K33-K35 PolarHBondContact O-N 2.85Å
34	N	59.4	Low	49.2	Very low	53 Å²	53	78.1 Å²	78.1	28%	0.283	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	96.8	-169.3	-71	-25.5	0	0	0	108.6	R32 Y36 I104	R32-N34 WeakPolarHBondContact O-CA 3.1Å; R32-N34 PolarHBondContact O-N 2.97Å; R32-N34 PolarHBondContact O-OD1 3.5Å; N34-Y36 HydrophobicContact CB-CD2 4.31Å; N34-Y36 HydrophobicContact CB-CE2 3.51Å; N34-Y36 WeakPolarHBondContact O-CD2 3.44Å; N34-I104 PolarHBondContact O-N 2.76Å
35	K	64.9	Low	50.8	Low	107 Å²	107	77.7 Å²	77.7	47%	0.465	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.9	173.3	-69.4	177.5	-178.9	178.9	0	106.8	K33 I102 V142	K33-K35 PolarHBondContact O-N 2.85Å; K35-I102 CarbonylContact C-O 3.58Å; K35-I102 WeakPolarHBondContact CA-O 3.29Å; K35-V142 HydrophobicContact CB-CB 3.82Å; K35-V142 HydrophobicContact CB-CG1 4.48Å; K35-V142 PolarHBondContact O-N 2.82Å
36	Y	66.4	Low	52.6	Low	3 Å²	3	73.5 Å²	73.5	1%	0.012	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.7	169.9	-57	-103.1	0	0	0	109.2	N34 R101 I102 I104 M114 V139 T140 P141	N34-Y36 HydrophobicContact CB-CD2 4.31Å; N34-Y36 HydrophobicContact CB-CE2 3.51Å; N34-Y36 WeakPolarHBondContact O-CD2 3.44Å; Y36-R101 CarbonylContact O-C 3.54Å; Y36-R101 WeakPolarHBondContact O-CA 3.16Å; Y36-I102 PolarHBondContact N-O 3.49Å; Y36-I102 PolarHBondContact O-N 2.85Å; Y36-I104 HydrophobicContact CD2-CB 4.38Å; Y36-I104 HydrophobicContact CD2-CD1 3.55Å; Y36-I104 HydrophobicContact CD2-CG1 3.66Å; Y36-I104 HydrophobicContact CE2-CB 4.04Å; Y36-I104 HydrophobicContact CE2-CD1 3.39Å; Y36-I104 HydrophobicContact CE2-CG1 3.69Å; Y36-I104 HydrophobicContact CG-CD1 4.45Å; Y36-M114 HydrophobicContact CE1-SD 4.49Å; Y36-V139 HydrophobicContact CD1-CG1 4Å; Y36-V139 HydrophobicContact CG-CG1 4.29Å; Y36-T140 CarbonylContact C-O 3.46Å; Y36-T140 WeakPolarHBondContact CA-O 3.18Å; Y36-T140 WeakPolarHBondContact CB-O 3.2Å; Y36-P141 HydrophobicContact CD1-CB 4.19Å; Y36-P141 HydrophobicContact CE1-CB 4.24Å
37	R	65	Low	54.2	Low	98 Å²	98	74.7 Å²	74.7	37%	0.37	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.6	174.9	-178.3	-178.3	-169.6	-174.8	1.7	107.9	D99 C100 V139 T140 V142	R37-D99 WeakPolarHBondContact CG-OD1 3.46Å; R37-D99 IonicContact CZ-OD1 3.1Å; R37-D99 IonicContact CZ-OD2 2.63Å; R37-D99 VanDerWaalsContact NE-CG 3.26Å; R37-D99 IonicContact NE-OD1 2.77Å; R37-D99 PolarHBondContact NE-OD1 3.2Å; R37-D99 IonicContact NE-OD2 3.96Å; R37-D99 PolarHBondContact NE-OD2 2.87Å; R37-D99 IonicContact NH2-OD1 2.65Å; R37-D99 IonicContact NH2-OD2 3.87Å; R37-D99 PolarHBondContact NH2-OD2 3.31Å; R37-C100 CarbonylContact C-O 3.54Å; R37-V139 CarbonylContact O-C 3.39Å; R37-V139 VanDerWaalsContact O-CA 3.32Å; R37-V139 WeakPolarHBondContact O-CA 3.38Å; R37-T140 PolarHBondContact N-O 2.75Å; R37-T140 PolarHBondContact O-N 3.43Å; R37-T140 PolarHBondContact O-OG1 3.4Å; R37-V142 HydrophobicContact CB-CG2 3.51Å
38	I	68.2	Low	55.8	Low	9 Å²	9	73.1 Å²	73.1	5%	0.046	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	111	178.6	-44.4	-167.3	0	0	0	107.5	D99 C100 I102 I121 V137 Q138 V139	I38-D99 CarbonylContact O-C 3.58Å; I38-D99 WeakPolarHBondContact O-CA 3.39Å; I38-C100 WeakPolarHBondContact CA-O 3.44Å; I38-C100 HydrophobicContact CB-CB 4.3Å; I38-C100 PolarHBondContact N-O 2.97Å; I38-C100 PolarHBondContact O-N 2.79Å; I38-I102 HydrophobicContact CD1-CB 4.44Å; I38-I102 HydrophobicContact CD1-CD1 3.69Å; I38-I102 HydrophobicContact CD1-CG1 3.9Å; I38-I102 HydrophobicContact CD1-CG2 3.7Å; I38-I102 HydrophobicContact CG1-CD1 4.11Å; I38-I102 HydrophobicContact CG1-CG1 3.92Å; I38-I102 HydrophobicContact CG1-CG2 4.16Å; I38-I121 HydrophobicContact CD1-CD1 3.35Å; I38-I121 HydrophobicContact CG2-CD1 4.19Å; I38-I121 HydrophobicContact CG2-CG2 4.29Å; I38-V137 HydrophobicContact CG2-CG1 3.59Å; I38-Q138 CarbonylContact C-O 3.5Å; I38-Q138 WeakPolarHBondContact CA-O 3.47Å; I38-V139 HydrophobicContact CB-CG2 4.48Å; I38-V139 HydrophobicContact CD1-CG2 4.31Å; I38-V139 HydrophobicContact CG1-CG2 4.08Å; I38-V139 HydrophobicContact CG2-CG2 4.1Å
39	T	65.5	Low	57.3	Low	20 Å²	20	76.4 Å²	76.4	12%	0.123	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.2	176.8	-51.2	0	0	0	0	108.7	M97 D99 V137 Q138	T39-M97 HydrophobicContact CG2-CG 3.92Å; T39-M97 HydrophobicContact CG2-SD 3.83Å; T39-D99 PolarHBondContact OG1-OD1 2.82Å; T39-V137 CarbonylContact O-C 3.6Å; T39-V137 WeakPolarHBondContact O-CA 3.36Å; T39-Q138 PolarHBondContact N-O 3.28Å; T39-Q138 PolarHBondContact O-N 2.63Å
40	A	67.8	Low	59	Low	1 Å²	1	74.2 Å²	74.2	1%	0.008	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126	174.2	0	0	0	0	0	110	F42 M97 A98 M125 S136 V137	A40-F42 HydrophobicContact CB-CE2 4.35Å; A40-F42 HydrophobicContact CB-CZ 4.25Å; A40-M97 WeakPolarHBondContact O-CA 3.39Å; A40-A98 HydrophobicContact CB-CB 4.46Å; A40-A98 PolarHBondContact N-O 2.91Å; A40-A98 PolarHBondContact O-N 2.83Å; A40-M125 HydrophobicContact CB-CE 3.8Å; A40-M125 HydrophobicContact CB-SD 3.32Å; A40-M125 WeakPolarHBondContact CB-SD 3.19Å; A40-S136 WeakPolarHBondContact CA-O 3.5Å; A40-V137 HydrophobicContact CB-CG2 4.29Å
41	L	67.6	Low	60.4	Low	60 Å²	60	73.3 Å²	73.3	31%	0.314	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134	177	-70	170.8	0	0	0	109.7	M97 V134 R135 S136	L41-M97 HydrophobicContact CD2-CB 4.12Å; L41-M97 HydrophobicContact CD2-CG 3.87Å; L41-M97 HydrophobicContact CD2-SD 3.72Å; L41-V134 CarbonylContact O-C 3.52Å; L41-R135 HydrophobicContact CB-CB 4.45Å; L41-R135 WeakPolarHBondContact O-CB 3.41Å; L41-R135 PolarHBondContact O-N 2.71Å; L41-S136 PolarHBondContact N-O 3.28Å; L41-S136 PolarHBondContact O-N 2.79Å
42	F	68	Low	62	Low	8 Å²	8	71.3 Å²	71.3	4%	0.035	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.4	179.9	-55	-87.3	0	0	0	111.2	A40 S44 L46 I54 R96 A98 M125 V129 T133 V134	A40-F42 HydrophobicContact CB-CE2 4.35Å; A40-F42 HydrophobicContact CB-CZ 4.25Å; F42-S44 VanDerWaalsContact C-N 3.29Å; F42-S44 WeakPolarHBondContact CB-O 3.42Å; F42-S44 PolarHBondContact O-N 2.84Å; F42-L46 HydrophobicContact CD2-CD1 3.73Å; F42-L46 HydrophobicContact CD2-CG 4.31Å; F42-L46 HydrophobicContact CE1-CD1 4.31Å; F42-L46 HydrophobicContact CE1-CD2 4.45Å; F42-L46 HydrophobicContact CE2-CD1 3.5Å; F42-L46 HydrophobicContact CE2-CG 4.44Å; F42-L46 HydrophobicContact CG-CD1 4.25Å; F42-L46 HydrophobicContact CG-CG 4.38Å; F42-L46 HydrophobicContact CZ-CD1 3.82Å; F42-I54 HydrophobicContact CZ-CD1 4.28Å; F42-R96 PolarHBondContact N-O 3.04Å; F42-A98 HydrophobicContact CE2-CB 3.68Å; F42-A98 HydrophobicContact CZ-CB 4.14Å; F42-M125 HydrophobicContact CE1-SD 4.47Å; F42-M125 HydrophobicContact CZ-SD 4.06Å; F42-V129 HydrophobicContact CE1-CG2 4.04Å; F42-T133 CarbonylContact C-O 3.55Å; F42-T133 WeakPolarHBondContact CA-O 3.15Å; F42-V134 HydrophobicContact CD1-CG2 4.01Å; F42-V134 HydrophobicContact CE1-CG2 3.71Å
43	D	68	Low	63	Low	86 Å²	86	65.5 Å²	65.5	46%	0.46	34%	0.34	S	S	.	.	S	Bend	trans	-70.6	-28.2	177.4	-76.8	-33.6	0	0	0	112.7	R96 T133 R135	D43-R96 PolarHBondContact O-NH1 2.82Å; D43-T133 PolarHBondContact N-O 2.94Å; D43-R135 WeakPolarHBondContact OD1-CB 3.46Å; D43-R135 WeakPolarHBondContact OD1-CD 3.34Å
44	S	65.7	Low	63.5	Low	55 Å²	55	58.8 Å²	58.8	39%	0.385	31%	0.312	S	S	.	.	S	Bend	trans	-128.7	150.3	180	57.3	0	0	0	0	110.9	F42 L46	F42-S44 VanDerWaalsContact C-N 3.29Å; F42-S44 WeakPolarHBondContact CB-O 3.42Å; F42-S44 PolarHBondContact O-N 2.84Å; S44-L46 PolarHBondContact O-N 2.95Å
45	P	64.8	Low	63.4	Low	74 Å²	74	58.8 Å²	58.8	48%	0.481	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-66	131.9	178.7	25.2	-29.4	0	0	0	110.6	P47 G95 R96	P45-P47 WeakPolarHBondContact O-CD 3.44Å; P45-G95 CarbonylContact C-O 3.56Å; P45-G95 VanDerWaalsContact CA-O 3.27Å; P45-G95 WeakPolarHBondContact CA-O 3.34Å; P45-R96 HydrophobicContact CB-CG 4.11Å
46	L	62.3	Low	62.9	Low	22 Å²	22	60.6 Å²	60.6	12%	0.115	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-62.6	119.3	175.8	-76.4	159.9	0	0	0	110.3	F42 S44 Q50 I54 Y92 G95 V129	F42-L46 HydrophobicContact CD2-CD1 3.73Å; F42-L46 HydrophobicContact CD2-CG 4.31Å; F42-L46 HydrophobicContact CE1-CD1 4.31Å; F42-L46 HydrophobicContact CE1-CD2 4.45Å; F42-L46 HydrophobicContact CE2-CD1 3.5Å; F42-L46 HydrophobicContact CE2-CG 4.44Å; F42-L46 HydrophobicContact CG-CD1 4.25Å; F42-L46 HydrophobicContact CG-CG 4.38Å; F42-L46 HydrophobicContact CZ-CD1 3.82Å; S44-L46 PolarHBondContact O-N 2.95Å; L46-Q50 HydrophobicContact CD2-CB 4.19Å; L46-I54 HydrophobicContact CD1-CD1 3.69Å; L46-I54 HydrophobicContact CD2-CD1 3.7Å; L46-I54 HydrophobicContact CG-CD1 4.36Å; L46-Y92 HydrophobicContact CD1-CD1 4.34Å; L46-Y92 HydrophobicContact CD1-CE1 4.4Å; L46-G95 PolarHBondContact N-O 2.69Å; L46-V129 HydrophobicContact CD2-CB 4.08Å; L46-V129 HydrophobicContact CD2-CG1 3.33Å; L46-V129 HydrophobicContact CD2-CG2 3.56Å
47	P	58.9	Low	62.1	Low	72 Å²	72	62.9 Å²	62.9	47%	0.468	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-55.7	143.2	166.4	-18.5	29.5	0	0	0	110.5	P45 K49 Q50 K51	P45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-K49 PolarHBondContact O-N 2.79Å; P47-Q50 HydrophobicContact CG-CG 4.46Å; P47-Q50 WeakPolarHBondContact O-CA 3.32Å; P47-Q50 WeakPolarHBondContact O-CB 3.18Å; P47-Q50 PolarHBondContact O-N 2.65Å; P47-K51 PolarHBondContact O-N 2.74Å
48	S	60.8	Low	61.4	Low	101 Å²	101	59 Å²	59	71%	0.706	33%	0.325	S	S	*	.	H	α-helix	trans	-52.4	-34.8	-177	50.6	0	0	0	0	114.3	Q50 K51 A52	S48-Q50 PolarHBondContact O-N 2.77Å; S48-K51 WeakPolarHBondContact O-CB 3.27Å; S48-K51 PolarHBondContact O-N 2.98Å; S48-A52 PolarHBondContact O-N 3.29Å; S48-A52 VanDerWaalsContact O-N 3.15Å
49	K	61.1	Low	60.3	Low	176 Å²	176	59.2 Å²	59.2	77%	0.765	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-36.1	174.8	-70.7	-173.4	177.7	-178	0	113.2	P47 Q53	P47-K49 PolarHBondContact O-N 2.79Å; K49-Q53 PolarHBondContact O-N 3.38Å
50	Q	61	Low	59.2	Low	48 Å²	48	64.3 Å²	64.3	22%	0.224	36%	0.363	C	S	.	.	H	α-helix	trans	-78.2	-32.9	177.7	-66.2	-173.8	-25.9	0	0	111.2	L46 P47 S48 A52 Q53 I54 V129	L46-Q50 HydrophobicContact CD2-CB 4.19Å; P47-Q50 HydrophobicContact CG-CG 4.46Å; P47-Q50 WeakPolarHBondContact O-CA 3.32Å; P47-Q50 WeakPolarHBondContact O-CB 3.18Å; P47-Q50 PolarHBondContact O-N 2.65Å; S48-Q50 PolarHBondContact O-N 2.77Å; Q50-A52 VanDerWaalsContact C-N 3.31Å; Q50-A52 PolarHBondContact O-N 3.36Å; Q50-Q53 WeakPolarHBondContact O-CB 3.49Å; Q50-Q53 PolarHBondContact O-N 2.83Å; Q50-Q53 VanDerWaalsContact O-N 3.08Å; Q50-I54 WeakPolarHBondContact O-CG1 3.19Å; Q50-I54 PolarHBondContact O-N 2.94Å; Q50-V129 PolarHBondContact NE2-O 3.22Å
51	K	59.3	Low	57.9	Low	86 Å²	86	70.7 Å²	70.7	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-56.2	-46.4	169.5	-172	-178.1	175.4	-177.5	0	111.4	P47 S48 Q53 I54 D55 Y92	P47-K51 PolarHBondContact O-N 2.74Å; S48-K51 WeakPolarHBondContact O-CB 3.27Å; S48-K51 PolarHBondContact O-N 2.98Å; K51-Q53 VanDerWaalsContact C-N 3.27Å; K51-Q53 PolarHBondContact O-N 2.82Å; K51-I54 PolarHBondContact O-N 2.78Å; K51-D55 PolarHBondContact O-N 3.04Å; K51-Y92 HydrophobicContact CD-CG 4.4Å; K51-Y92 HydrophobicContact CG-CD1 4.32Å; K51-Y92 HydrophobicContact CG-CD2 4.37Å; K51-Y92 HydrophobicContact CG-CE1 4.32Å; K51-Y92 HydrophobicContact CG-CE2 4.46Å; K51-Y92 HydrophobicContact CG-CG 4.3Å
52	A	61.5	Low	56.5	Low	50 Å²	50	70.1 Å²	70.1	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-31.1	175.6	0	0	0	0	0	113.5	S48 Q50 N56	S48-A52 PolarHBondContact O-N 3.29Å; S48-A52 VanDerWaalsContact O-N 3.15Å; Q50-A52 VanDerWaalsContact C-N 3.31Å; Q50-A52 PolarHBondContact O-N 3.36Å; A52-N56 PolarHBondContact O-N 3.33Å; A52-N56 PolarHBondContact O-ND2 2.99Å
53	Q	58.5	Low	54.8	Low	101 Å²	101	72.3 Å²	72.3	47%	0.472	41%	0.41	S	S	.	.	H	α-helix	trans	-71.1	-39.5	174.5	-73.9	177.2	-38.4	0	0	112.3	K49 Q50 K51 L57	K49-Q53 PolarHBondContact O-N 3.38Å; Q50-Q53 WeakPolarHBondContact O-CB 3.49Å; Q50-Q53 PolarHBondContact O-N 2.83Å; Q50-Q53 VanDerWaalsContact O-N 3.08Å; K51-Q53 VanDerWaalsContact C-N 3.27Å; K51-Q53 PolarHBondContact O-N 2.82Å; Q53-L57 PolarHBondContact O-N 2.74Å
54	I	58.6	Low	53.2	Low	5 Å²	5	72.6 Å²	72.6	3%	0.026	41%	0.411	C	S	.	.	H	α-helix	trans	-69.7	-38.3	174.4	-54.9	169	0	0	0	110.1	F42 L46 Q50 K51 N56 L57 L58 Y92 V129	F42-I54 HydrophobicContact CZ-CD1 4.28Å; L46-I54 HydrophobicContact CD1-CD1 3.69Å; L46-I54 HydrophobicContact CD2-CD1 3.7Å; L46-I54 HydrophobicContact CG-CD1 4.36Å; Q50-I54 WeakPolarHBondContact O-CG1 3.19Å; Q50-I54 PolarHBondContact O-N 2.94Å; K51-I54 PolarHBondContact O-N 2.78Å; I54-N56 VanDerWaalsContact C-N 3.33Å; I54-N56 PolarHBondContact O-N 2.71Å; I54-L57 CarbonylContact O-C 3.59Å; I54-L57 WeakPolarHBondContact O-CA 3.44Å; I54-L57 WeakPolarHBondContact O-CB 3.37Å; I54-L57 PolarHBondContact O-N 2.51Å; I54-L58 HydrophobicContact CG2-CD1 3.63Å; I54-L58 HydrophobicContact CG2-CG 3.95Å; I54-L58 WeakPolarHBondContact O-CG 3.43Å; I54-L58 PolarHBondContact O-N 3.32Å; I54-Y92 HydrophobicContact CB-CE1 4.27Å; I54-Y92 WeakPolarHBondContact CB-OH 3.18Å; I54-Y92 HydrophobicContact CD1-CE1 4.22Å; I54-Y92 HydrophobicContact CG2-CE1 4.07Å; I54-Y92 WeakPolarHBondContact CG2-OH 3.47Å; I54-V129 HydrophobicContact CD1-CG2 3.68Å; I54-V129 HydrophobicContact CG1-CG2 4.16Å
55	D	56.7	Low	51.7	Low	53 Å²	53	76.5 Å²	76.5	28%	0.283	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-39.6	174.8	-73.6	-14.1	0	0	0	112.5	K51 L57 L58 G59 H90 Y92	K51-D55 PolarHBondContact O-N 3.04Å; D55-L57 PolarHBondContact O-N 2.9Å; D55-L58 PolarHBondContact O-N 3.04Å; D55-G59 WeakPolarHBondContact O-CA 3.45Å; D55-G59 PolarHBondContact O-N 3.42Å; D55-H90 IonicContact OD1-CD2 3.21Å; D55-H90 IonicContact OD1-NE2 2.98Å; D55-Y92 PolarHBondContact N-OH 3.27Å; D55-Y92 WeakPolarHBondContact OD1-CE2 3.29Å; D55-Y92 PolarHBondContact OD1-OH 3.07Å
56	N	54.5	Low	50.3	Low	145 Å²	145	75.2 Å²	75.2	78%	0.775	41%	0.41	S	S	*	.	H	α-helix	trans	-64.8	-18.8	173.8	-88.5	-30.3	0	0	0	113.6	A52 I54	A52-N56 PolarHBondContact O-N 3.33Å; A52-N56 PolarHBondContact O-ND2 2.99Å; I54-N56 VanDerWaalsContact C-N 3.33Å; I54-N56 PolarHBondContact O-N 2.71Å
57	L	50.9	Low	48.9	Very low	50 Å²	50	80.3 Å²	80.3	26%	0.262	43%	0.431	S	S	.	.	H	α-helix	trans	-96	-37.1	175.8	-74.6	159.6	0	0	0	113	Q53 I54 D55 L62 A70 L128	Q53-L57 PolarHBondContact O-N 2.74Å; I54-L57 CarbonylContact O-C 3.59Å; I54-L57 WeakPolarHBondContact O-CA 3.44Å; I54-L57 WeakPolarHBondContact O-CB 3.37Å; I54-L57 PolarHBondContact O-N 2.51Å; D55-L57 PolarHBondContact O-N 2.9Å; L57-L62 WeakPolarHBondContact O-CD1 3.48Å; L57-A70 HydrophobicContact CD2-CB 4.4Å; L57-L128 HydrophobicContact CD1-CD1 3.05Å; L57-L128 HydrophobicContact CD1-CD2 3.49Å; L57-L128 VanDerWaalsContact CD1-CD2 3.49Å; L57-L128 HydrophobicContact CD1-CG 3.83Å; L57-L128 HydrophobicContact CG-CD1 4.46Å
58	L	50.8	Low	47.4	Very low	16 Å²	16	83.3 Å²	83.3	8%	0.084	44%	0.443	C	S	.	.	H	α-helix	trans	-82.1	-4.9	175.8	-62.3	179.2	0	0	0	112.9	I54 D55 I87 H90 C100	I54-L58 HydrophobicContact CG2-CD1 3.63Å; I54-L58 HydrophobicContact CG2-CG 3.95Å; I54-L58 WeakPolarHBondContact O-CG 3.43Å; I54-L58 PolarHBondContact O-N 3.32Å; D55-L58 PolarHBondContact O-N 3.04Å; L58-I87 HydrophobicContact CB-CD1 4.21Å; L58-I87 HydrophobicContact CD2-CD1 3.6Å; L58-H90 HydrophobicContact CB-CB 4.02Å; L58-H90 HydrophobicContact CD1-CB 3.93Å; L58-H90 PolarHBondContact O-CE1 3.44Å; L58-H90 VanDerWaalsContact O-CE1 3.3Å; L58-H90 PolarHBondContact O-ND1 2.87Å; L58-C100 HydrophobicContact CD2-CB 4.47Å
59	G	44.3	Very low	45.9	Very low	14 Å²	14	84.2 Å²	84.2	14%	0.144	45%	0.449	C	S	.	.	S	Bend	trans	-54.7	171.5	174.4	0	0	0	0	0	113.3	D55 N61 L62	D55-G59 WeakPolarHBondContact O-CA 3.45Å; D55-G59 PolarHBondContact O-N 3.42Å; G59-N61 PolarHBondContact O-N 3.3Å; G59-L62 PolarHBondContact O-N 2.75Å
60	P	42	Very low	44.6	Very low	127 Å²	127	77.4 Å²	77.4	83%	0.825	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-0.2	-162.6	23.8	-34.6	0	0	0	116.3
61	N	40	Very low	43.2	Very low	135 Å²	135	76.7 Å²	76.7	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	20.3	-177	-68	-25.9	0	0	0	113.9	G59 S63	G59-N61 PolarHBondContact O-N 3.3Å; N61-S63 PolarHBondContact O-N 3.49Å
62	L	38.2	Very low	42.1	Very low	49 Å²	49	82.8 Å²	82.8	26%	0.257	45%	0.449	S	S	.	.			trans	-82.9	57.6	164.1	-146.5	130.3	0	0	0	109.8	L57 G59 E86 I87	L57-L62 WeakPolarHBondContact O-CD1 3.48Å; G59-L62 PolarHBondContact O-N 2.75Å; L62-E86 WeakPolarHBondContact O-CA 3.33Å; L62-I87 HydrophobicContact CB-CB 4.33Å; L62-I87 HydrophobicContact CB-CD1 3.4Å; L62-I87 VanDerWaalsContact CB-CD1 3.4Å; L62-I87 HydrophobicContact CB-CG1 3.72Å; L62-I87 HydrophobicContact CD1-CD1 3.68Å; L62-I87 HydrophobicContact CD2-CD1 3.7Å; L62-I87 HydrophobicContact CD2-CG1 3.7Å; L62-I87 HydrophobicContact CG-CD1 3.74Å; L62-I87 HydrophobicContact CG-CG1 4.15Å; L62-I87 PolarHBondContact O-N 3.37Å
63	S	33.3	Very low	41	Very low	53 Å²	53	86 Å²	86	37%	0.371	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-125.9	111.1	-178.8	49.7	0	0	0	0	107.9	N61	N61-S63 PolarHBondContact O-N 3.49Å
64	I	34.1	Very low	40.3	Very low	92 Å²	92	88.6 Å²	88.6	47%	0.472	47%	0.474	S	S	.	.	S	Bend	trans	65.2	101.6	162	-36.2	-173.5	0	0	0	112.8
65	E	34.4	Very low	39.9	Very low	137 Å²	137	92 Å²	92	64%	0.64	50%	0.496	S	S	*	.	S	Bend	trans	68.4	131	-162.8	-56.1	177.9	136.9	0	0	112.8	K67	E65-K67 HydrophobicContact CB-CG 4.23Å; E65-K67 PolarHBondContact O-N 3.32Å; E65-K67 WeakPolarHBondContact OE2-CE 3.43Å; E65-K67 IonicContact OE2-NZ 2.94Å; E65-K67 PolarHBondContact OE2-NZ 3.38Å
66	F	35.8	Very low	39.8	Very low	47 Å²	47	90.4 Å²	90.4	21%	0.206	49%	0.487	C	S	.	.			trans	-53	75.2	163.7	-91.4	-81.2	0	0	0	112.1	L68 L71 I76 Q124	F66-L68 PolarHBondContact O-N 2.7Å; F66-L71 HydrophobicContact CB-CB 4.25Å; F66-L71 HydrophobicContact CB-CD1 3.55Å; F66-L71 HydrophobicContact CB-CD2 3.4Å; F66-L71 HydrophobicContact CB-CG 3.77Å; F66-L71 HydrophobicContact CD1-CD1 3.41Å; F66-L71 VanDerWaalsContact CD1-CD1 3.41Å; F66-L71 HydrophobicContact CD1-CD2 3.38Å; F66-L71 HydrophobicContact CD1-CG 3.86Å; F66-L71 HydrophobicContact CE1-CD2 4.31Å; F66-L71 HydrophobicContact CG-CD1 3.94Å; F66-L71 HydrophobicContact CG-CD2 3.52Å; F66-L71 HydrophobicContact CG-CG 4.18Å; F66-L71 WeakPolarHBondContact O-CB 3.2Å; F66-L71 WeakPolarHBondContact O-CD1 3.35Å; F66-I76 HydrophobicContact CD2-CB 3.94Å; F66-I76 HydrophobicContact CD2-CD1 4.43Å; F66-I76 HydrophobicContact CD2-CG1 3.94Å; F66-I76 HydrophobicContact CE1-CD1 4.42Å; F66-I76 HydrophobicContact CE2-CB 3.44Å; F66-I76 VanDerWaalsContact CE2-CB 3.44Å; F66-I76 HydrophobicContact CE2-CD1 3.22Å; F66-I76 HydrophobicContact CE2-CG1 3.13Å; F66-I76 HydrophobicContact CZ-CB 4.27Å; F66-I76 HydrophobicContact CZ-CD1 3.19Å; F66-I76 HydrophobicContact CZ-CG1 3.44Å; F66-I76 VanDerWaalsContact CZ-CG1 3.44Å; F66-Q124 VanDerWaalsContact CE1-CD 3.48Å
67	K	31.3	Very low	39.7	Very low	129 Å²	129	91 Å²	91	56%	0.561	49%	0.485	S	S	*	.			trans	-89.7	104.6	-174.9	-90.9	-176.1	174.5	147.6	0	112.4	E65	E65-K67 HydrophobicContact CB-CG 4.23Å; E65-K67 PolarHBondContact O-N 3.32Å; E65-K67 WeakPolarHBondContact OE2-CE 3.43Å; E65-K67 IonicContact OE2-NZ 2.94Å; E65-K67 PolarHBondContact OE2-NZ 3.38Å
68	L	28.1	Very low	39.9	Very low	136 Å²	136	90.4 Å²	90.4	71%	0.712	48%	0.484	S	S	*	.	S	Bend	trans	67.8	77.3	131.8	-64	147.8	0	0	0	114.7	F66	F66-L68 PolarHBondContact O-N 2.7Å
69	S	29.5	Very low	40.2	Very low	120 Å²	120	94.1 Å²	94.1	84%	0.839	51%	0.512	S	S	*	.	S	Bend		-151.3	-10.1	93.1	-63.9	0	0	0	0	114.6
70	A	33.3	Very low	40.8	Very low	33 Å²	33	95.2 Å²	95.2	27%	0.273	52%	0.517	S	S	.	.	S	Bend	trans	-97.1	1.5	178.9	0	0	0	0	0	113.7	L57	L57-A70 HydrophobicContact CD2-CB 4.4Å
71	L	32.7	Very low	41.8	Very low	32 Å²	32	95.5 Å²	95.5	17%	0.168	52%	0.519	C	S	.	.			trans	-116.2	30.2	-161.7	-76.7	130.5	0	0	0	115	F66 T73 K74 Q124	F66-L71 HydrophobicContact CB-CB 4.25Å; F66-L71 HydrophobicContact CB-CD1 3.55Å; F66-L71 HydrophobicContact CB-CD2 3.4Å; F66-L71 HydrophobicContact CB-CG 3.77Å; F66-L71 HydrophobicContact CD1-CD1 3.41Å; F66-L71 VanDerWaalsContact CD1-CD1 3.41Å; F66-L71 HydrophobicContact CD1-CD2 3.38Å; F66-L71 HydrophobicContact CD1-CG 3.86Å; F66-L71 HydrophobicContact CE1-CD2 4.31Å; F66-L71 HydrophobicContact CG-CD1 3.94Å; F66-L71 HydrophobicContact CG-CD2 3.52Å; F66-L71 HydrophobicContact CG-CG 4.18Å; F66-L71 WeakPolarHBondContact O-CB 3.2Å; F66-L71 WeakPolarHBondContact O-CD1 3.35Å; L71-T73 PolarHBondContact O-N 2.77Å; L71-K74 WeakPolarHBondContact CD2-O 3.22Å; L71-Q124 VanDerWaalsContact CD2-NE2 3.31Å
72	K	36	Very low	43	Very low	214 Å²	214	96.9 Å²	96.9	93%	0.93	52%	0.521	S	S	*	.	S	Bend	trans	-71.2	-9.2	159.8	-83.7	-170.9	173.9	-177.1	0	112.9
73	T	38.3	Very low	44.3	Very low	119 Å²	119	95.6 Å²	95.6	73%	0.73	51%	0.513	S	S	*	.	S	Bend	trans	-106.8	-44.5	-168.1	46.1	0	0	0	0	115.8	L71	L71-T73 PolarHBondContact O-N 2.77Å
74	K	44.5	Very low	45.7	Very low	155 Å²	155	93.8 Å²	93.8	67%	0.674	50%	0.5	S	S	*	.			trans	-155.6	103.4	174.7	-69.7	-168.4	178.4	-178.5	0	113	L71	L71-K74 WeakPolarHBondContact CD2-O 3.22Å
75	P	48.9	Very low	47.1	Very low	76 Å²	76	90.9 Å²	90.9	49%	0.494	49%	0.485	S	S	.	.			trans	-62.6	148.8	165.7	26.5	-31.1	0	0	0	110.2	E77	P75-E77 PolarHBondContact O-N 2.84Å
76	I	54.4	Low	48.4	Very low	19 Å²	19	86.1 Å²	86.1	10%	0.097	46%	0.463	C	S	.	.			trans	-69.7	101.2	166.2	-66.2	-173.9	0	0	0	106.6	F66 T78 V117 V120	F66-I76 HydrophobicContact CD2-CB 3.94Å; F66-I76 HydrophobicContact CD2-CD1 4.43Å; F66-I76 HydrophobicContact CD2-CG1 3.94Å; F66-I76 HydrophobicContact CE1-CD1 4.42Å; F66-I76 HydrophobicContact CE2-CB 3.44Å; F66-I76 VanDerWaalsContact CE2-CB 3.44Å; F66-I76 HydrophobicContact CE2-CD1 3.22Å; F66-I76 HydrophobicContact CE2-CG1 3.13Å; F66-I76 HydrophobicContact CZ-CB 4.27Å; F66-I76 HydrophobicContact CZ-CD1 3.19Å; F66-I76 HydrophobicContact CZ-CG1 3.44Å; F66-I76 VanDerWaalsContact CZ-CG1 3.44Å; I76-T78 HydrophobicContact CG2-CG2 4.04Å; I76-T78 PolarHBondContact O-N 2.84Å; I76-V117 HydrophobicContact CD1-CG1 4.31Å; I76-V117 HydrophobicContact CD1-CG2 4.34Å; I76-V117 HydrophobicContact CG2-CG2 4.04Å; I76-V120 HydrophobicContact CD1-CB 3.88Å; I76-V120 HydrophobicContact CD1-CG1 3.83Å; I76-V120 HydrophobicContact CG1-CB 3.65Å; I76-V120 HydrophobicContact CG1-CG1 3.32Å; I76-V120 HydrophobicContact CG1-CG2 4.06Å
77	E	52.9	Low	49.7	Very low	157 Å²	157	85.6 Å²	85.6	73%	0.734	46%	0.461	S	S	*	.			trans	-71.6	106.4	170.2	-68	-178.5	177.6	0	0	107.8	P75	P75-E77 PolarHBondContact O-N 2.84Å
78	T	55.5	Low	51.4	Low	39 Å²	39	83.3 Å²	83.3	24%	0.239	46%	0.458	C	S	.	.			trans	-88.6	142.4	169.8	51.5	0	0	0	0	109.3	I76 S80	I76-T78 HydrophobicContact CG2-CG2 4.04Å; I76-T78 PolarHBondContact O-N 2.84Å; T78-S80 PolarHBondContact O-N 2.85Å; T78-S80 PolarHBondContact OG1-O 3.2Å
79	S	57.6	Low	53.2	Low	94 Å²	94	80.6 Å²	80.6	66%	0.657	45%	0.445	S	S	*	.	S	Bend	trans	-61.8	-16.8	179.5	64.4	0	0	0	0	114.2	E113	S79-E113 VanDerWaalsContact CB-OE1 3.27Å; S79-E113 WeakPolarHBondContact CB-OE1 2.82Å; S79-E113 PolarHBondContact N-OE1 3.21Å; S79-E113 PolarHBondContact OG-OE1 2.86Å
80	S	55.5	Low	55.1	Low	36 Å²	36	77.8 Å²	77.8	25%	0.252	42%	0.418	S	S	.	.			trans	-115.8	126.2	174.8	-81.9	0	0	0	0	111.3	T78 E82 R83	T78-S80 PolarHBondContact O-N 2.85Å; T78-S80 PolarHBondContact OG1-O 3.2Å; S80-E82 PolarHBondContact O-N 2.93Å; S80-R83 WeakPolarHBondContact O-CB 3.44Å; S80-R83 PolarHBondContact O-N 3.45Å
81	P	63.5	Low	56.6	Low	133 Å²	133	78.5 Å²	78.5	86%	0.864	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20	176.1	27.8	-33.8	0	0	0	113	R83	P81-R83 PolarHBondContact O-N 3.19Å
82	E	64.3	Low	58.2	Low	164 Å²	164	78.5 Å²	78.5	77%	0.766	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.3	177.1	-60.2	-172	179.9	0	0	113.6	S80	S80-E82 PolarHBondContact O-N 2.93Å
83	R	65.7	Low	59.7	Low	23 Å²	23	71.8 Å²	71.8	9%	0.087	40%	0.397	C	S	.	.			trans	-85.4	124.5	-172.9	-157.5	-179.1	-79.3	143.8	-19.6	109.9	S80 P81 I104 K105 P107 S108 E113	S80-R83 WeakPolarHBondContact O-CB 3.44Å; S80-R83 PolarHBondContact O-N 3.45Å; P81-R83 PolarHBondContact O-N 3.19Å; R83-I104 HydrophobicContact CG-CG2 3.71Å; R83-K105 WeakPolarHBondContact CA-O 3.39Å; R83-K105 WeakPolarHBondContact CG-O 3.46Å; R83-P107 PolarHBondContact NE-O 3.41Å; R83-P107 PolarHBondContact NH2-O 2.91Å; R83-S108 PolarHBondContact NH2-O 2.85Å; R83-E113 IonicContact CZ-OE1 3.98Å; R83-E113 IonicContact CZ-OE2 3.76Å; R83-E113 IonicContact NH1-OE1 2.86Å; R83-E113 PolarHBondContact NH1-OE1 3.32Å; R83-E113 IonicContact NH1-OE2 3.98Å; R83-E113 PolarHBondContact NH1-OE2 3.42Å; R83-E113 IonicContact NH2-OE1 3.5Å; R83-E113 IonicContact NH2-OE2 2.71Å; R83-E113 PolarHBondContact NH2-OE2 2.82Å
84	S	63.2	Low	61.3	Low	14 Å²	14	69.9 Å²	69.9	10%	0.098	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.9	174.7	77.6	0	0	0	0	111.6	I104 K105	S84-I104 CarbonylContact O-C 3.56Å; S84-I104 WeakPolarHBondContact O-CA 3.27Å; S84-K105 PolarHBondContact N-O 2.89Å; S84-K105 PolarHBondContact O-N 3.48Å; S84-K105 WeakPolarHBondContact OG-CB 3.33Å
85	I	63.1	Low	62.2	Low	31 Å²	31	64.4 Å²	64.4	16%	0.159	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.1	179.8	-53.7	179.1	0	0	0	106.6	I102 I104	I85-I102 HydrophobicContact CG2-CB 3.84Å; I85-I102 HydrophobicContact CG2-CD1 3.72Å; I85-I102 HydrophobicContact CG2-CG1 4.37Å; I85-I102 HydrophobicContact CG2-CG2 4.05Å; I85-I104 HydrophobicContact CD1-CD1 4.45Å; I85-I104 HydrophobicContact CG1-CD1 4.35Å; I85-I104 HydrophobicContact CG1-CG1 4.13Å; I85-I104 HydrophobicContact CG1-CG2 4.44Å; I85-I104 HydrophobicContact CG2-CG1 4.35Å
86	E	63.2	Low	63.1	Low	38 Å²	38	67.2 Å²	67.2	18%	0.178	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.4	179.5	-64.7	177.7	166.3	0	0	109.1	L62 V88 I102 R103 K105	L62-E86 WeakPolarHBondContact O-CA 3.33Å; E86-V88 PolarHBondContact O-N 2.84Å; E86-I102 CarbonylContact O-C 3.48Å; E86-I102 WeakPolarHBondContact O-CA 3.46Å; E86-R103 PolarHBondContact N-O 3Å; E86-R103 PolarHBondContact O-N 3.5Å; E86-K105 VanDerWaalsContact CD-CE 3.5Å; E86-K105 WeakPolarHBondContact OE1-CE 3.42Å; E86-K105 IonicContact OE1-NZ 3.31Å; E86-K105 PolarHBondContact OE1-NZ 2.87Å; E86-K105 WeakPolarHBondContact OE2-CE 3.43Å; E86-K105 IonicContact OE2-NZ 3.68Å; E86-K105 PolarHBondContact OE2-NZ 3.42Å
87	I	63.2	Low	63.7	Low	35 Å²	35	68.4 Å²	68.4	18%	0.179	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.3	166.6	-67.1	177.9	0	0	0	109	L58 L62 C100 R101 I102	L58-I87 HydrophobicContact CB-CD1 4.21Å; L58-I87 HydrophobicContact CD2-CD1 3.6Å; L62-I87 HydrophobicContact CB-CB 4.33Å; L62-I87 HydrophobicContact CB-CD1 3.4Å; L62-I87 VanDerWaalsContact CB-CD1 3.4Å; L62-I87 HydrophobicContact CB-CG1 3.72Å; L62-I87 HydrophobicContact CD1-CD1 3.68Å; L62-I87 HydrophobicContact CD2-CD1 3.7Å; L62-I87 HydrophobicContact CD2-CG1 3.7Å; L62-I87 HydrophobicContact CG-CD1 3.74Å; L62-I87 HydrophobicContact CG-CG1 4.15Å; L62-I87 PolarHBondContact O-N 3.37Å; I87-C100 VanDerWaalsContact CD1-SG 3.57Å; I87-R101 CarbonylContact C-O 3.41Å; I87-I102 HydrophobicContact CG1-CG2 4.05Å
88	V	66.9	Low	64.3	Low	82 Å²	82	61 Å²	61	50%	0.497	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-37.4	173.8	-174.2	0	0	0	0	110.7	E86 R101 R103	E86-V88 PolarHBondContact O-N 2.84Å; V88-R101 HydrophobicContact CB-CB 4.24Å; V88-R101 PolarHBondContact N-O 3.45Å; V88-R103 HydrophobicContact CG2-CB 3.44Å; V88-R103 VanDerWaalsContact CG2-CB 3.44Å
89	D	64.4	Low	64.8	Low	79 Å²	79	59.6 Å²	59.6	42%	0.422	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	151.8	-174.5	-162.5	1.7	0	0	0	110	C100 R101	D89-C100 CarbonylContact O-C 3.56Å; D89-C100 WeakPolarHBondContact O-CA 3.47Å; D89-R101 HydrophobicContact CB-CB 4.07Å; D89-R101 HydrophobicContact CB-CG 4.44Å; D89-R101 PolarHBondContact N-O 3.33Å; D89-R101 PolarHBondContact O-N 2.96Å
90	H	70.4	Confident	65.2	Low	60 Å²	60	55.5 Å²	55.5	28%	0.278	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.1	170.5	64.4	-93.8	0	0	0	111	D55 L58 D99 C100	D55-H90 IonicContact OD1-CD2 3.21Å; D55-H90 IonicContact OD1-NE2 2.98Å; L58-H90 HydrophobicContact CB-CB 4.02Å; L58-H90 HydrophobicContact CD1-CB 3.93Å; L58-H90 PolarHBondContact O-CE1 3.44Å; L58-H90 VanDerWaalsContact O-CE1 3.3Å; L58-H90 PolarHBondContact O-ND1 2.87Å; H90-D99 CarbonylContact C-O 3.5Å; H90-D99 VanDerWaalsContact CA-O 3.29Å; H90-D99 WeakPolarHBondContact CA-O 3.46Å; H90-C100 HydrophobicContact CB-CB 4.46Å
91	S	63.6	Low	65.8	Low	48 Å²	48	59.4 Å²	59.4	34%	0.336	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.5	-177.9	67.9	0	0	0	0	111.6	P93 D99	S91-P93 VanDerWaalsContact C-CD 3.41Å; S91-P93 WeakPolarHBondContact O-CD 3.39Å; S91-D99 PolarHBondContact N-O 3.29Å; S91-D99 PolarHBondContact O-N 2.93Å
92	Y	67.5	Low	66.1	Low	33 Å²	33	53.2 Å²	53.2	13%	0.129	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	78.1	173	-58.1	-100.2	0	0	0	107.5	L46 K51 I54 D55 N94 M97 A98	L46-Y92 HydrophobicContact CD1-CD1 4.34Å; L46-Y92 HydrophobicContact CD1-CE1 4.4Å; K51-Y92 HydrophobicContact CD-CG 4.4Å; K51-Y92 HydrophobicContact CG-CD1 4.32Å; K51-Y92 HydrophobicContact CG-CD2 4.37Å; K51-Y92 HydrophobicContact CG-CE1 4.32Å; K51-Y92 HydrophobicContact CG-CE2 4.46Å; K51-Y92 HydrophobicContact CG-CG 4.3Å; I54-Y92 HydrophobicContact CB-CE1 4.27Å; I54-Y92 WeakPolarHBondContact CB-OH 3.18Å; I54-Y92 HydrophobicContact CD1-CE1 4.22Å; I54-Y92 HydrophobicContact CG2-CE1 4.07Å; I54-Y92 WeakPolarHBondContact CG2-OH 3.47Å; D55-Y92 PolarHBondContact N-OH 3.27Å; D55-Y92 WeakPolarHBondContact OD1-CE2 3.29Å; D55-Y92 PolarHBondContact OD1-OH 3.07Å; Y92-N94 PolarHBondContact O-N 2.73Å; Y92-M97 WeakPolarHBondContact CA-O 3.32Å; Y92-A98 HydrophobicContact CD1-CB 3.78Å; Y92-A98 HydrophobicContact CE1-CB 3.68Å
93	P	67.3	Low	66.2	Low	73 Å²	73	48.2 Å²	48.2	47%	0.474	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	-25.8	-178.4	15.4	-28.6	0	0	0	112.6	S91 M97 D99	S91-P93 VanDerWaalsContact C-CD 3.41Å; S91-P93 WeakPolarHBondContact O-CD 3.39Å; P93-M97 HydrophobicContact CB-CE 3.81Å; P93-M97 WeakPolarHBondContact CD-O 3.37Å; P93-M97 HydrophobicContact CG-CB 4.22Å; P93-M97 HydrophobicContact CG-CE 3.17Å; P93-M97 HydrophobicContact CG-CG 4.01Å; P93-M97 HydrophobicContact CG-SD 4.4Å; P93-D99 HydrophobicContact CG-CB 4.43Å
94	N	70.9	Confident	66.3	Low	79 Å²	79	47.3 Å²	47.3	42%	0.422	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	175	166.1	59.8	58.5	0	0	0	110.9	Y92 R96 M97	Y92-N94 PolarHBondContact O-N 2.73Å; N94-R96 PolarHBondContact O-N 3Å; N94-R96 VanDerWaalsContact O-N 3.09Å; N94-R96 VanDerWaalsContact OD1-C 3.22Å; N94-R96 VanDerWaalsContact OD1-CA 3.3Å; N94-R96 WeakPolarHBondContact OD1-CA 3.38Å; N94-R96 PolarHBondContact OD1-N 3.3Å; N94-M97 PolarHBondContact O-N 2.74Å; N94-M97 VanDerWaalsContact O-O 3.05Å; N94-M97 WeakPolarHBondContact OD1-CB 3.3Å; N94-M97 PolarHBondContact OD1-N 2.99Å
95	G	64.7	Low	66.5	Low	39 Å²	39	50.9 Å²	50.9	40%	0.402	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.3	178.9	0	0	0	0	0	114.7	P45 L46	P45-G95 CarbonylContact C-O 3.56Å; P45-G95 VanDerWaalsContact CA-O 3.27Å; P45-G95 WeakPolarHBondContact CA-O 3.34Å; L46-G95 PolarHBondContact N-O 2.69Å
96	R	67.9	Low	66.6	Low	136 Å²	136	51.5 Å²	51.5	51%	0.513	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	8.1	-178.2	-63.9	-170.1	-173.3	-162.8	1.8	113.5	F42 D43 P45 N94	F42-R96 PolarHBondContact N-O 3.04Å; D43-R96 PolarHBondContact O-NH1 2.82Å; P45-R96 HydrophobicContact CB-CG 4.11Å; N94-R96 PolarHBondContact O-N 3Å; N94-R96 VanDerWaalsContact O-N 3.09Å; N94-R96 VanDerWaalsContact OD1-C 3.22Å; N94-R96 VanDerWaalsContact OD1-CA 3.3Å; N94-R96 WeakPolarHBondContact OD1-CA 3.38Å; N94-R96 PolarHBondContact OD1-N 3.3Å
97	M	66.3	Low	66.7	Low	44 Å²	44	52.3 Å²	52.3	22%	0.217	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	124.4	-177	-172.5	161.4	83.4	0	0	110.2	T39 A40 L41 Y92 P93 N94	T39-M97 HydrophobicContact CG2-CG 3.92Å; T39-M97 HydrophobicContact CG2-SD 3.83Å; A40-M97 WeakPolarHBondContact O-CA 3.39Å; L41-M97 HydrophobicContact CD2-CB 4.12Å; L41-M97 HydrophobicContact CD2-CG 3.87Å; L41-M97 HydrophobicContact CD2-SD 3.72Å; Y92-M97 WeakPolarHBondContact CA-O 3.32Å; P93-M97 HydrophobicContact CB-CE 3.81Å; P93-M97 WeakPolarHBondContact CD-O 3.37Å; P93-M97 HydrophobicContact CG-CB 4.22Å; P93-M97 HydrophobicContact CG-CE 3.17Å; P93-M97 HydrophobicContact CG-CG 4.01Å; P93-M97 HydrophobicContact CG-SD 4.4Å; N94-M97 PolarHBondContact O-N 2.74Å; N94-M97 VanDerWaalsContact O-O 3.05Å; N94-M97 WeakPolarHBondContact OD1-CB 3.3Å; N94-M97 PolarHBondContact OD1-N 2.99Å
98	A	65.7	Low	66.7	Low	2 Å²	2	52.2 Å²	52.2	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.5	166.6	0	0	0	0	0	108.3	A40 F42 Y92	A40-A98 HydrophobicContact CB-CB 4.46Å; A40-A98 PolarHBondContact N-O 2.91Å; A40-A98 PolarHBondContact O-N 2.83Å; F42-A98 HydrophobicContact CE2-CB 3.68Å; F42-A98 HydrophobicContact CZ-CB 4.14Å; Y92-A98 HydrophobicContact CD1-CB 3.78Å; Y92-A98 HydrophobicContact CE1-CB 3.68Å
99	D	66.2	Low	66.6	Low	9 Å²	9	48.3 Å²	48.3	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.9	-177.3	-170.2	36.9	0	0	0	109.2	R37 I38 T39 H90 S91 P93	R37-D99 WeakPolarHBondContact CG-OD1 3.46Å; R37-D99 IonicContact CZ-OD1 3.1Å; R37-D99 IonicContact CZ-OD2 2.63Å; R37-D99 VanDerWaalsContact NE-CG 3.26Å; R37-D99 IonicContact NE-OD1 2.77Å; R37-D99 PolarHBondContact NE-OD1 3.2Å; R37-D99 IonicContact NE-OD2 3.96Å; R37-D99 PolarHBondContact NE-OD2 2.87Å; R37-D99 IonicContact NH2-OD1 2.65Å; R37-D99 IonicContact NH2-OD2 3.87Å; R37-D99 PolarHBondContact NH2-OD2 3.31Å; I38-D99 CarbonylContact O-C 3.58Å; I38-D99 WeakPolarHBondContact O-CA 3.39Å; T39-D99 PolarHBondContact OG1-OD1 2.82Å; H90-D99 CarbonylContact C-O 3.5Å; H90-D99 VanDerWaalsContact CA-O 3.29Å; H90-D99 WeakPolarHBondContact CA-O 3.46Å; S91-D99 PolarHBondContact N-O 3.29Å; S91-D99 PolarHBondContact O-N 2.93Å; P93-D99 HydrophobicContact CG-CB 4.43Å
100	C	65.7	Low	66.8	Low	7 Å²	7	46 Å²	46	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	117.9	-169.8	-171.2	0	0	0	0	109.4	R37 I38 L58 I87 D89 H90	R37-C100 CarbonylContact C-O 3.54Å; I38-C100 WeakPolarHBondContact CA-O 3.44Å; I38-C100 HydrophobicContact CB-CB 4.3Å; I38-C100 PolarHBondContact N-O 2.97Å; I38-C100 PolarHBondContact O-N 2.79Å; L58-C100 HydrophobicContact CD2-CB 4.47Å; I87-C100 VanDerWaalsContact CD1-SG 3.57Å; D89-C100 CarbonylContact O-C 3.56Å; D89-C100 WeakPolarHBondContact O-CA 3.47Å; H90-C100 HydrophobicContact CB-CB 4.46Å
101	R	67.7	Low	66.7	Low	118 Å²	118	47.6 Å²	47.6	45%	0.445	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.2	172.1	-69.6	179.7	179.5	167.6	-1.7	108.5	Y36 I87 V88 D89	Y36-R101 CarbonylContact O-C 3.54Å; Y36-R101 WeakPolarHBondContact O-CA 3.16Å; I87-R101 CarbonylContact C-O 3.41Å; V88-R101 HydrophobicContact CB-CB 4.24Å; V88-R101 PolarHBondContact N-O 3.45Å; D89-R101 HydrophobicContact CB-CB 4.07Å; D89-R101 HydrophobicContact CB-CG 4.44Å; D89-R101 PolarHBondContact N-O 3.33Å; D89-R101 PolarHBondContact O-N 2.96Å
102	I	69.3	Low	66.9	Low	4 Å²	4	52.1 Å²	52.1	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	158.4	171.4	60.5	158.6	0	0	0	110.4	K35 Y36 I38 I85 E86 I87 I104	K35-I102 CarbonylContact C-O 3.58Å; K35-I102 WeakPolarHBondContact CA-O 3.29Å; Y36-I102 PolarHBondContact N-O 3.49Å; Y36-I102 PolarHBondContact O-N 2.85Å; I38-I102 HydrophobicContact CD1-CB 4.44Å; I38-I102 HydrophobicContact CD1-CD1 3.69Å; I38-I102 HydrophobicContact CD1-CG1 3.9Å; I38-I102 HydrophobicContact CD1-CG2 3.7Å; I38-I102 HydrophobicContact CG1-CD1 4.11Å; I38-I102 HydrophobicContact CG1-CG1 3.92Å; I38-I102 HydrophobicContact CG1-CG2 4.16Å; I85-I102 HydrophobicContact CG2-CB 3.84Å; I85-I102 HydrophobicContact CG2-CD1 3.72Å; I85-I102 HydrophobicContact CG2-CG1 4.37Å; I85-I102 HydrophobicContact CG2-CG2 4.05Å; E86-I102 CarbonylContact O-C 3.48Å; E86-I102 WeakPolarHBondContact O-CA 3.46Å; I87-I102 HydrophobicContact CG1-CG2 4.05Å; I102-I104 HydrophobicContact CD1-CD1 4.03Å; I102-I104 HydrophobicContact CD1-CG1 4.04Å
103	R	66.5	Low	67	Low	59 Å²	59	52.2 Å²	52.2	22%	0.223	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.7	170.3	176	169.9	168.9	-160.8	-20.6	107.9	E86 V88	E86-R103 PolarHBondContact N-O 3Å; E86-R103 PolarHBondContact O-N 3.5Å; V88-R103 HydrophobicContact CG2-CB 3.44Å; V88-R103 VanDerWaalsContact CG2-CB 3.44Å
104	I	68.7	Low	67	Low	4 Å²	4	50.3 Å²	50.3	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.8	179.7	-52.9	-172	0	0	0	107.8	N34 Y36 R83 S84 I85 I102 L109	N34-I104 PolarHBondContact O-N 2.76Å; Y36-I104 HydrophobicContact CD2-CB 4.38Å; Y36-I104 HydrophobicContact CD2-CD1 3.55Å; Y36-I104 HydrophobicContact CD2-CG1 3.66Å; Y36-I104 HydrophobicContact CE2-CB 4.04Å; Y36-I104 HydrophobicContact CE2-CD1 3.39Å; Y36-I104 HydrophobicContact CE2-CG1 3.69Å; Y36-I104 HydrophobicContact CG-CD1 4.45Å; R83-I104 HydrophobicContact CG-CG2 3.71Å; S84-I104 CarbonylContact O-C 3.56Å; S84-I104 WeakPolarHBondContact O-CA 3.27Å; I85-I104 HydrophobicContact CD1-CD1 4.45Å; I85-I104 HydrophobicContact CG1-CD1 4.35Å; I85-I104 HydrophobicContact CG1-CG1 4.13Å; I85-I104 HydrophobicContact CG1-CG2 4.44Å; I85-I104 HydrophobicContact CG2-CG1 4.35Å; I102-I104 HydrophobicContact CD1-CD1 4.03Å; I102-I104 HydrophobicContact CD1-CG1 4.04Å; I104-L109 HydrophobicContact CD1-CD1 3.17Å; I104-L109 HydrophobicContact CD1-CG 3.68Å
105	K	66.4	Low	67	Low	88 Å²	88	49.8 Å²	49.8	38%	0.383	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.7	166.3	-66.7	176.6	174	169.4	0	108.1	R83 S84 E86	R83-K105 WeakPolarHBondContact CA-O 3.39Å; R83-K105 WeakPolarHBondContact CG-O 3.46Å; S84-K105 PolarHBondContact N-O 2.89Å; S84-K105 PolarHBondContact O-N 3.48Å; S84-K105 WeakPolarHBondContact OG-CB 3.33Å; E86-K105 VanDerWaalsContact CD-CE 3.5Å; E86-K105 WeakPolarHBondContact OE1-CE 3.42Å; E86-K105 IonicContact OE1-NZ 3.31Å; E86-K105 PolarHBondContact OE1-NZ 2.87Å; E86-K105 WeakPolarHBondContact OE2-CE 3.43Å; E86-K105 IonicContact OE2-NZ 3.68Å; E86-K105 PolarHBondContact OE2-NZ 3.42Å
106	G	66.7	Low	67.2	Low	44 Å²	44	51.8 Å²	51.8	45%	0.454	27%	0.274	S	S	.	.	S	Bend	trans	100.6	-167.4	-175.1	0	0	0	0	0	113
107	P	64.2	Low	67.2	Low	55 Å²	55	45.5 Å²	45.5	36%	0.357	25%	0.25	S	S	.	.	S	Bend	trans	-62.6	146.1	-177.4	21	-28.5	0	0	0	111.3	R83	R83-P107 PolarHBondContact NE-O 3.41Å; R83-P107 PolarHBondContact NH2-O 2.91Å
108	S	63	Low	67.3	Low	33 Å²	33	45.5 Å²	45.5	23%	0.231	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-54	147.7	176.7	43.9	0	0	0	0	112.1	F28 R83	F28-S108 WeakPolarHBondContact CB-OG 3.1Å; R83-S108 PolarHBondContact NH2-O 2.85Å
109	L	65.9	Low	67.6	Low	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-72.6	127.5	172.8	-71.5	171.5	0	0	0	109.6	I104 E113 M114 V117	I104-L109 HydrophobicContact CD1-CD1 3.17Å; I104-L109 HydrophobicContact CD1-CG 3.68Å; L109-E113 HydrophobicContact CB-CB 4.35Å; L109-E113 HydrophobicContact CD2-CB 3.7Å; L109-M114 HydrophobicContact CB-CG 3.78Å; L109-M114 HydrophobicContact CD1-CG 4.1Å; L109-V117 HydrophobicContact CD1-CG2 4.28Å; L109-V117 HydrophobicContact CD2-CG2 4.33Å
110	G	68.1	Low	67.7	Low	31 Å²	31	50.7 Å²	50.7	32%	0.32	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-70	166.9	165.4	0	0	0	0	0	111.5	N112 E113 M114	G110-N112 VanDerWaalsContact C-N 3.34Å; G110-N112 PolarHBondContact O-N 2.83Å; G110-E113 PolarHBondContact N-OE2 3.24Å; G110-E113 PolarHBondContact O-N 3.41Å; G110-E113 VanDerWaalsContact O-N 3.07Å; G110-M114 PolarHBondContact O-N 2.98Å
111	T	68.8	Low	67.8	Low	94 Å²	94	51.5 Å²	51.5	58%	0.577	28%	0.278	S	S	*	.	H	α-helix	trans	-57.1	-44.2	-178.2	-39.1	0	0	0	0	112.5	E113 M114 V115	T111-E113 VanDerWaalsContact C-N 3.32Å; T111-E113 PolarHBondContact O-N 2.86Å; T111-M114 WeakPolarHBondContact O-CB 3.47Å; T111-M114 PolarHBondContact O-N 3.45Å; T111-V115 WeakPolarHBondContact O-CG2 3.1Å; T111-V115 PolarHBondContact O-N 2.77Å
112	N	67.9	Low	67.8	Low	143 Å²	143	49.3 Å²	49.3	77%	0.765	27%	0.27	S	S	*	.	H	α-helix	trans	-63.5	-37.9	177.2	-72	-13.5	0	0	0	112.3	G110 V115 H116	G110-N112 VanDerWaalsContact C-N 3.34Å; G110-N112 PolarHBondContact O-N 2.83Å; N112-V115 PolarHBondContact O-N 3.09Å; N112-H116 WeakPolarHBondContact O-CB 3.48Å; N112-H116 PolarHBondContact O-N 2.77Å
113	E	69	Low	67.5	Low	34 Å²	34	52.3 Å²	52.3	16%	0.159	29%	0.291	C	S	.	.	H	α-helix	trans	-71.4	-35.9	178	-57.7	-172.4	120	0	0	111.4	S79 R83 L109 G110 T111 H116 V117	S79-E113 VanDerWaalsContact CB-OE1 3.27Å; S79-E113 WeakPolarHBondContact CB-OE1 2.82Å; S79-E113 PolarHBondContact N-OE1 3.21Å; S79-E113 PolarHBondContact OG-OE1 2.86Å; R83-E113 IonicContact CZ-OE1 3.98Å; R83-E113 IonicContact CZ-OE2 3.76Å; R83-E113 IonicContact NH1-OE1 2.86Å; R83-E113 PolarHBondContact NH1-OE1 3.32Å; R83-E113 IonicContact NH1-OE2 3.98Å; R83-E113 PolarHBondContact NH1-OE2 3.42Å; R83-E113 IonicContact NH2-OE1 3.5Å; R83-E113 IonicContact NH2-OE2 2.71Å; R83-E113 PolarHBondContact NH2-OE2 2.82Å; L109-E113 HydrophobicContact CB-CB 4.35Å; L109-E113 HydrophobicContact CD2-CB 3.7Å; G110-E113 PolarHBondContact N-OE2 3.24Å; G110-E113 PolarHBondContact O-N 3.41Å; G110-E113 VanDerWaalsContact O-N 3.07Å; T111-E113 VanDerWaalsContact C-N 3.32Å; T111-E113 PolarHBondContact O-N 2.86Å; E113-H116 PolarHBondContact O-N 2.91Å; E113-V117 WeakPolarHBondContact O-CB 3.15Å; E113-V117 WeakPolarHBondContact O-CG2 3.41Å; E113-V117 PolarHBondContact O-N 3.41Å
114	M	67.6	Low	67.4	Low	33 Å²	33	51.2 Å²	51.2	16%	0.163	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-44.5	172.7	-81.5	-173.4	66.8	0	0	111.8	Y36 L109 G110 T111 H116 V117 Q118 V139	Y36-M114 HydrophobicContact CE1-SD 4.49Å; L109-M114 HydrophobicContact CB-CG 3.78Å; L109-M114 HydrophobicContact CD1-CG 4.1Å; G110-M114 PolarHBondContact O-N 2.98Å; T111-M114 WeakPolarHBondContact O-CB 3.47Å; T111-M114 PolarHBondContact O-N 3.45Å; M114-H116 VanDerWaalsContact C-N 3.34Å; M114-V117 PolarHBondContact O-N 3.48Å; M114-Q118 WeakPolarHBondContact O-CG 3.44Å; M114-Q118 PolarHBondContact O-N 3.31Å; M114-V139 HydrophobicContact CE-CB 4.19Å; M114-V139 HydrophobicContact CE-CG1 4.1Å; M114-V139 WeakPolarHBondContact CE-O 3.37Å
115	V	70.2	Confident	67.1	Low	69 Å²	69	51.8 Å²	51.8	42%	0.418	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-45.2	175.6	174.8	0	0	0	0	110	T111 N112 V117 Q118 E119	T111-V115 WeakPolarHBondContact O-CG2 3.1Å; T111-V115 PolarHBondContact O-N 2.77Å; N112-V115 PolarHBondContact O-N 3.09Å; V115-V117 PolarHBondContact O-N 3.32Å; V115-Q118 WeakPolarHBondContact O-CB 3.4Å; V115-Q118 PolarHBondContact O-N 3.49Å; V115-E119 WeakPolarHBondContact O-CB 3.43Å; V115-E119 PolarHBondContact O-N 3.26Å
116	H	68.9	Low	67	Low	81 Å²	81	48.9 Å²	48.9	38%	0.375	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-45.4	176.9	-174.8	67.5	0	0	0	112.3	N112 E113 M114 Q118 E119 V120	N112-H116 WeakPolarHBondContact O-CB 3.48Å; N112-H116 PolarHBondContact O-N 2.77Å; E113-H116 PolarHBondContact O-N 2.91Å; M114-H116 VanDerWaalsContact C-N 3.34Å; H116-Q118 VanDerWaalsContact C-N 3.34Å; H116-Q118 PolarHBondContact O-N 3.39Å; H116-E119 PolarHBondContact O-N 3.47Å; H116-V120 WeakPolarHBondContact O-CG2 2.97Å; H116-V120 PolarHBondContact O-N 3.34Å
117	V	68.9	Low	66.7	Low	3 Å²	3	52 Å²	52	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-43.6	176.3	169.9	0	0	0	0	110.9	I76 L109 E113 M114 V115 E119 V120 I121	I76-V117 HydrophobicContact CD1-CG1 4.31Å; I76-V117 HydrophobicContact CD1-CG2 4.34Å; I76-V117 HydrophobicContact CG2-CG2 4.04Å; L109-V117 HydrophobicContact CD1-CG2 4.28Å; L109-V117 HydrophobicContact CD2-CG2 4.33Å; E113-V117 WeakPolarHBondContact O-CB 3.15Å; E113-V117 WeakPolarHBondContact O-CG2 3.41Å; E113-V117 PolarHBondContact O-N 3.41Å; M114-V117 PolarHBondContact O-N 3.48Å; V115-V117 PolarHBondContact O-N 3.32Å; V117-E119 PolarHBondContact O-N 2.87Å; V117-V120 PolarHBondContact O-N 3.48Å; V117-I121 HydrophobicContact CG1-CD1 3.61Å; V117-I121 HydrophobicContact CG1-CG1 4.4Å; V117-I121 WeakPolarHBondContact O-CB 3.27Å; V117-I121 WeakPolarHBondContact O-CD1 3.29Å; V117-I121 WeakPolarHBondContact O-CG1 3.49Å; V117-I121 PolarHBondContact O-N 3.43Å
118	Q	68.5	Low	66.3	Low	45 Å²	45	51.7 Å²	51.7	21%	0.21	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-45.4	175.1	-75.9	173.9	4.6	0	0	112.1	M114 V115 H116 I121 R122 V139	M114-Q118 WeakPolarHBondContact O-CG 3.44Å; M114-Q118 PolarHBondContact O-N 3.31Å; V115-Q118 WeakPolarHBondContact O-CB 3.4Å; V115-Q118 PolarHBondContact O-N 3.49Å; H116-Q118 VanDerWaalsContact C-N 3.34Å; H116-Q118 PolarHBondContact O-N 3.39Å; Q118-I121 PolarHBondContact O-N 2.92Å; Q118-R122 VanDerWaalsContact O-CB 3.29Å; Q118-R122 WeakPolarHBondContact O-CB 3.44Å; Q118-R122 PolarHBondContact O-N 3.15Å; Q118-V139 HydrophobicContact CG-CB 4.04Å; Q118-V139 HydrophobicContact CG-CG2 3.46Å; Q118-V139 VanDerWaalsContact CG-CG2 3.46Å
119	E	70.9	Confident	66.1	Low	104 Å²	104	50.5 Å²	50.5	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-45.7	-179.2	-150.4	94.4	-121.8	0	0	111.4	V115 H116 V117 R122 S123	V115-E119 WeakPolarHBondContact O-CB 3.43Å; V115-E119 PolarHBondContact O-N 3.26Å; H116-E119 PolarHBondContact O-N 3.47Å; V117-E119 PolarHBondContact O-N 2.87Å; E119-R122 PolarHBondContact O-N 3.43Å; E119-R122 IonicContact OE1-NH1 2.82Å; E119-S123 VanDerWaalsContact O-CB 3.27Å; E119-S123 WeakPolarHBondContact O-CB 3.39Å; E119-S123 PolarHBondContact O-N 2.95Å
120	V	68.3	Low	65.8	Low	15 Å²	15	59.1 Å²	59.1	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-67.1	-42.9	179.5	177.6	0	0	0	0	110.5	I76 H116 V117 R122 S123 Q124	I76-V120 HydrophobicContact CD1-CB 3.88Å; I76-V120 HydrophobicContact CD1-CG1 3.83Å; I76-V120 HydrophobicContact CG1-CB 3.65Å; I76-V120 HydrophobicContact CG1-CG1 3.32Å; I76-V120 HydrophobicContact CG1-CG2 4.06Å; H116-V120 WeakPolarHBondContact O-CG2 2.97Å; H116-V120 PolarHBondContact O-N 3.34Å; V117-V120 PolarHBondContact O-N 3.48Å; V120-R122 PolarHBondContact O-N 3.06Å; V120-S123 PolarHBondContact O-N 3.31Å; V120-Q124 HydrophobicContact CG1-CG 4.3Å; V120-Q124 VanDerWaalsContact CG1-NE2 3.32Å; V120-Q124 WeakPolarHBondContact O-CB 3.29Å; V120-Q124 VanDerWaalsContact O-CG 3.29Å; V120-Q124 WeakPolarHBondContact O-CG 3.36Å; V120-Q124 PolarHBondContact O-N 3.38Å
121	I	69.1	Low	65.4	Low	24 Å²	24	62.4 Å²	62.4	12%	0.123	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.3	-68.9	169.5	0	0	0	110.9	I38 V117 Q118 S123 Q124 M125 V137	I38-I121 HydrophobicContact CD1-CD1 3.35Å; I38-I121 HydrophobicContact CG2-CD1 4.19Å; I38-I121 HydrophobicContact CG2-CG2 4.29Å; V117-I121 HydrophobicContact CG1-CD1 3.61Å; V117-I121 HydrophobicContact CG1-CG1 4.4Å; V117-I121 WeakPolarHBondContact O-CB 3.27Å; V117-I121 WeakPolarHBondContact O-CD1 3.29Å; V117-I121 WeakPolarHBondContact O-CG1 3.49Å; V117-I121 PolarHBondContact O-N 3.43Å; Q118-I121 PolarHBondContact O-N 2.92Å; I121-S123 VanDerWaalsContact C-N 3.34Å; I121-S123 PolarHBondContact O-N 3.29Å; I121-Q124 PolarHBondContact O-N 3.04Å; I121-M125 HydrophobicContact CG2-CE 4.37Å; I121-M125 HydrophobicContact CG2-SD 4.4Å; I121-M125 WeakPolarHBondContact O-CB 3.37Å; I121-M125 PolarHBondContact O-N 3.08Å; I121-V137 HydrophobicContact CB-CG1 4.38Å; I121-V137 HydrophobicContact CG2-CG1 3.97Å; I121-V137 HydrophobicContact CG2-CG2 4.46Å
122	R	66.4	Low	65	Low	72 Å²	72	64.3 Å²	64.3	27%	0.272	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-47.9	176.2	-176.1	-171	-76.2	142.7	-5.9	110.8	Q118 E119 V120 Q124 M125 N126 V134 V137	Q118-R122 VanDerWaalsContact O-CB 3.29Å; Q118-R122 WeakPolarHBondContact O-CB 3.44Å; Q118-R122 PolarHBondContact O-N 3.15Å; E119-R122 PolarHBondContact O-N 3.43Å; E119-R122 IonicContact OE1-NH1 2.82Å; V120-R122 PolarHBondContact O-N 3.06Å; R122-Q124 VanDerWaalsContact C-N 3.35Å; R122-Q124 PolarHBondContact O-N 3.05Å; R122-M125 PolarHBondContact O-N 3.48Å; R122-N126 WeakPolarHBondContact O-CB 3.43Å; R122-N126 PolarHBondContact O-N 3.32Å; R122-V134 HydrophobicContact CG-CB 4.15Å; R122-V134 HydrophobicContact CG-CG1 3.95Å; R122-V137 HydrophobicContact CB-CB 4.48Å; R122-V137 HydrophobicContact CB-CG2 3.7Å; R122-V137 HydrophobicContact CG-CG2 4.2Å
123	S	64.4	Low	64.8	Low	68 Å²	68	58 Å²	58	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-58.1	-47.3	178	179.3	0	0	0	0	111.2	E119 V120 I121 N126 V127	E119-S123 VanDerWaalsContact O-CB 3.27Å; E119-S123 WeakPolarHBondContact O-CB 3.39Å; E119-S123 PolarHBondContact O-N 2.95Å; V120-S123 PolarHBondContact O-N 3.31Å; I121-S123 VanDerWaalsContact C-N 3.34Å; I121-S123 PolarHBondContact O-N 3.29Å; S123-N126 PolarHBondContact O-N 3.06Å; S123-V127 WeakPolarHBondContact O-CG2 3.19Å; S123-V127 PolarHBondContact O-N 3.5Å
124	Q	63.8	Low	64.5	Low	36 Å²	36	56.9 Å²	56.9	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-46.1	179.2	-72.8	-174.7	23	0	0	112.4	F66 L71 V120 I121 R122 N126 V127 L128	F66-Q124 VanDerWaalsContact CE1-CD 3.48Å; L71-Q124 VanDerWaalsContact CD2-NE2 3.31Å; V120-Q124 HydrophobicContact CG1-CG 4.3Å; V120-Q124 VanDerWaalsContact CG1-NE2 3.32Å; V120-Q124 WeakPolarHBondContact O-CB 3.29Å; V120-Q124 VanDerWaalsContact O-CG 3.29Å; V120-Q124 WeakPolarHBondContact O-CG 3.36Å; V120-Q124 PolarHBondContact O-N 3.38Å; I121-Q124 PolarHBondContact O-N 3.04Å; R122-Q124 VanDerWaalsContact C-N 3.35Å; R122-Q124 PolarHBondContact O-N 3.05Å; Q124-N126 VanDerWaalsContact C-N 3.31Å; Q124-N126 PolarHBondContact O-N 3.32Å; Q124-V127 PolarHBondContact O-N 3.34Å; Q124-V127 VanDerWaalsContact O-N 3.17Å; Q124-L128 VanDerWaalsContact O-CD1 3.23Å; Q124-L128 WeakPolarHBondContact O-CD1 3.47Å; Q124-L128 WeakPolarHBondContact O-CG 3.39Å; Q124-L128 PolarHBondContact O-N 2.98Å
125	M	62.5	Low	64.6	Low	16 Å²	16	64 Å²	64	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-38.3	176	-76.9	-170.8	171.9	0	0	112.3	A40 F42 I121 R122 V127 L128 V129 V134	A40-M125 HydrophobicContact CB-CE 3.8Å; A40-M125 HydrophobicContact CB-SD 3.32Å; A40-M125 WeakPolarHBondContact CB-SD 3.19Å; F42-M125 HydrophobicContact CE1-SD 4.47Å; F42-M125 HydrophobicContact CZ-SD 4.06Å; I121-M125 HydrophobicContact CG2-CE 4.37Å; I121-M125 HydrophobicContact CG2-SD 4.4Å; I121-M125 WeakPolarHBondContact O-CB 3.37Å; I121-M125 PolarHBondContact O-N 3.08Å; R122-M125 PolarHBondContact O-N 3.48Å; M125-V127 VanDerWaalsContact C-N 3.33Å; M125-V127 PolarHBondContact O-N 3.18Å; M125-L128 PolarHBondContact O-N 3.43Å; M125-V129 WeakPolarHBondContact O-CG2 3.43Å; M125-V129 PolarHBondContact O-N 3.06Å; M125-V134 HydrophobicContact CB-CG2 3.49Å; M125-V134 VanDerWaalsContact CB-CG2 3.49Å
126	N	63.5	Low	64.6	Low	26 Å²	26	62 Å²	62	14%	0.139	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-35.8	175	-84.6	-22.5	0	0	0	112.7	R122 S123 Q124 L128 R130 N132 T133 V134	R122-N126 WeakPolarHBondContact O-CB 3.43Å; R122-N126 PolarHBondContact O-N 3.32Å; S123-N126 PolarHBondContact O-N 3.06Å; Q124-N126 VanDerWaalsContact C-N 3.31Å; Q124-N126 PolarHBondContact O-N 3.32Å; N126-L128 VanDerWaalsContact C-N 3.26Å; N126-L128 PolarHBondContact O-N 3.42Å; N126-R130 CarbonylContact O-C 2.91Å; N126-R130 PolarHBondContact O-N 3.31Å; N126-N132 PolarHBondContact OD1-N 2.84Å; N126-T133 PolarHBondContact OD1-N 3.07Å; N126-V134 WeakPolarHBondContact OD1-CB 3.23Å; N126-V134 VanDerWaalsContact OD1-CG2 3.29Å; N126-V134 WeakPolarHBondContact OD1-CG2 3.36Å; N126-V134 PolarHBondContact OD1-N 3.41Å
127	V	61.4	Low	64.5	Low	111 Å²	111	58.4 Å²	58.4	67%	0.673	29%	0.292	S	S	*	.	H	α-helix	trans	-64.9	-32.8	176.2	170.4	0	0	0	0	111.7	S123 Q124 M125	S123-V127 WeakPolarHBondContact O-CG2 3.19Å; S123-V127 PolarHBondContact O-N 3.5Å; Q124-V127 PolarHBondContact O-N 3.34Å; Q124-V127 VanDerWaalsContact O-N 3.17Å; M125-V127 VanDerWaalsContact C-N 3.33Å; M125-V127 PolarHBondContact O-N 3.18Å
128	L	55.5	Low	64.4	Low	47 Å²	47	63.4 Å²	63.4	25%	0.246	32%	0.315	C	S	.	.	H	α-helix	trans	-89.2	-39.6	-171	-67.9	156.3	0	0	0	113.9	L57 Q124 M125 N126	L57-L128 HydrophobicContact CD1-CD1 3.05Å; L57-L128 HydrophobicContact CD1-CD2 3.49Å; L57-L128 VanDerWaalsContact CD1-CD2 3.49Å; L57-L128 HydrophobicContact CD1-CG 3.83Å; L57-L128 HydrophobicContact CG-CD1 4.46Å; Q124-L128 VanDerWaalsContact O-CD1 3.23Å; Q124-L128 WeakPolarHBondContact O-CD1 3.47Å; Q124-L128 WeakPolarHBondContact O-CG 3.39Å; Q124-L128 PolarHBondContact O-N 2.98Å; M125-L128 PolarHBondContact O-N 3.43Å; N126-L128 VanDerWaalsContact C-N 3.26Å; N126-L128 PolarHBondContact O-N 3.42Å
129	V	57.7	Low	64.4	Low	9 Å²	9	61.7 Å²	61.7	6%	0.055	31%	0.307	C	S	.	.	S	Bend	trans	-89.3	-63.2	-174.4	178.7	0	0	0	0	109.7	F42 L46 Q50 I54 M125 T133	F42-V129 HydrophobicContact CE1-CG2 4.04Å; L46-V129 HydrophobicContact CD2-CB 4.08Å; L46-V129 HydrophobicContact CD2-CG1 3.33Å; L46-V129 HydrophobicContact CD2-CG2 3.56Å; Q50-V129 PolarHBondContact NE2-O 3.22Å; I54-V129 HydrophobicContact CD1-CG2 3.68Å; I54-V129 HydrophobicContact CG1-CG2 4.16Å; M125-V129 WeakPolarHBondContact O-CG2 3.43Å; M125-V129 PolarHBondContact O-N 3.06Å; V129-T133 WeakPolarHBondContact CB-OG1 3.48Å; V129-T133 HydrophobicContact CG1-CG2 4.19Å; V129-T133 WeakPolarHBondContact CG1-OG1 3.47Å
130	R	60	Low	64.2	Low	180 Å²	180	59.4 Å²	59.4	68%	0.679	30%	0.301	S	S	*	.			trans	-177.3	147.5	174.6	-120.7	179.1	-176.5	172.4	0.9	107.3	N126 N132 T133	N126-R130 CarbonylContact O-C 2.91Å; N126-R130 PolarHBondContact O-N 3.31Å; R130-N132 PolarHBondContact O-N 3.42Å; R130-T133 HydrophobicContact CB-CG2 3.46Å; R130-T133 VanDerWaalsContact CB-CG2 3.46Å; R130-T133 PolarHBondContact N-OG1 3.4Å; R130-T133 PolarHBondContact O-N 3.45Å; R130-T133 PolarHBondContact O-OG1 2.66Å
131	P	59.7	Low	64.1	Low	101 Å²	101	63.3 Å²	63.3	66%	0.656	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	133.8	170.1	-23.3	32.7	0	0	0	110.3	T133	P131-T133 VanDerWaalsContact C-N 3.28Å; P131-T133 PolarHBondContact O-N 3.17Å
132	N	60.6	Low	64	Low	133 Å²	133	68 Å²	68	71%	0.711	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	23.4	176.3	-49.7	-35.8	0	0	0	115.7	N126 R130	N126-N132 PolarHBondContact OD1-N 2.84Å; R130-N132 PolarHBondContact O-N 3.42Å
133	T	63.7	Low	63.9	Low	11 Å²	11	67.8 Å²	67.8	7%	0.067	36%	0.36	C	S	.	.			trans	-84.4	-24.9	172.1	42.3	0	0	0	0	113	F42 D43 N126 V129 R130 P131 R135	F42-T133 CarbonylContact C-O 3.55Å; F42-T133 WeakPolarHBondContact CA-O 3.15Å; D43-T133 PolarHBondContact N-O 2.94Å; N126-T133 PolarHBondContact OD1-N 3.07Å; V129-T133 WeakPolarHBondContact CB-OG1 3.48Å; V129-T133 HydrophobicContact CG1-CG2 4.19Å; V129-T133 WeakPolarHBondContact CG1-OG1 3.47Å; R130-T133 HydrophobicContact CB-CG2 3.46Å; R130-T133 VanDerWaalsContact CB-CG2 3.46Å; R130-T133 PolarHBondContact N-OG1 3.4Å; R130-T133 PolarHBondContact O-N 3.45Å; R130-T133 PolarHBondContact O-OG1 2.66Å; P131-T133 VanDerWaalsContact C-N 3.28Å; P131-T133 PolarHBondContact O-N 3.17Å; T133-R135 PolarHBondContact O-N 3.19Å
134	V	63	Low	63.8	Low	10 Å²	10	67.8 Å²	67.8	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	105	178.6	-174.2	0	0	0	0	109.2	L41 F42 R122 M125 N126 V137	L41-V134 CarbonylContact O-C 3.52Å; F42-V134 HydrophobicContact CD1-CG2 4.01Å; F42-V134 HydrophobicContact CE1-CG2 3.71Å; R122-V134 HydrophobicContact CG-CB 4.15Å; R122-V134 HydrophobicContact CG-CG1 3.95Å; M125-V134 HydrophobicContact CB-CG2 3.49Å; M125-V134 VanDerWaalsContact CB-CG2 3.49Å; N126-V134 WeakPolarHBondContact OD1-CB 3.23Å; N126-V134 VanDerWaalsContact OD1-CG2 3.29Å; N126-V134 WeakPolarHBondContact OD1-CG2 3.36Å; N126-V134 PolarHBondContact OD1-N 3.41Å; V134-V137 HydrophobicContact CG1-CG2 3.57Å
135	R	70.2	Confident	63.8	Low	182 Å²	182	69.6 Å²	69.6	69%	0.687	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	-46.9	177.6	-172.8	-179.5	178.2	-179.7	0.2	111.5	L41 D43 T133	L41-R135 HydrophobicContact CB-CB 4.45Å; L41-R135 WeakPolarHBondContact O-CB 3.41Å; L41-R135 PolarHBondContact O-N 2.71Å; D43-R135 WeakPolarHBondContact OD1-CB 3.46Å; D43-R135 WeakPolarHBondContact OD1-CD 3.34Å; T133-R135 PolarHBondContact O-N 3.19Å
136	S	69.6	Low	63.9	Low	28 Å²	28	72.7 Å²	72.7	20%	0.196	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	150.8	179	60.3	0	0	0	0	111.5	A40 L41	A40-S136 WeakPolarHBondContact CA-O 3.5Å; L41-S136 PolarHBondContact N-O 3.28Å; L41-S136 PolarHBondContact O-N 2.79Å
137	V	66.9	Low	63.9	Low	5 Å²	5	75.6 Å²	75.6	3%	0.03	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.8	169.5	179.6	0	0	0	0	105.9	I38 T39 A40 I121 R122 V134	I38-V137 HydrophobicContact CG2-CG1 3.59Å; T39-V137 CarbonylContact O-C 3.6Å; T39-V137 WeakPolarHBondContact O-CA 3.36Å; A40-V137 HydrophobicContact CB-CG2 4.29Å; I121-V137 HydrophobicContact CB-CG1 4.38Å; I121-V137 HydrophobicContact CG2-CG1 3.97Å; I121-V137 HydrophobicContact CG2-CG2 4.46Å; R122-V137 HydrophobicContact CB-CB 4.48Å; R122-V137 HydrophobicContact CB-CG2 3.7Å; R122-V137 HydrophobicContact CG-CG2 4.2Å; V134-V137 HydrophobicContact CG1-CG2 3.57Å
138	Q	66.1	Low	64.1	Low	108 Å²	108	73.3 Å²	73.3	51%	0.505	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.8	175.6	-71.5	-178.1	-11.5	0	0	108.6	I38 T39	I38-Q138 CarbonylContact C-O 3.5Å; I38-Q138 WeakPolarHBondContact CA-O 3.47Å; T39-Q138 PolarHBondContact N-O 3.28Å; T39-Q138 PolarHBondContact O-N 2.63Å
139	V	68	Low	64.7	Low	9 Å²	9	75.1 Å²	75.1	6%	0.055	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.1	171.5	179.3	0	0	0	0	107.2	Y36 R37 I38 M114 Q118	Y36-V139 HydrophobicContact CD1-CG1 4Å; Y36-V139 HydrophobicContact CG-CG1 4.29Å; R37-V139 CarbonylContact O-C 3.39Å; R37-V139 VanDerWaalsContact O-CA 3.32Å; R37-V139 WeakPolarHBondContact O-CA 3.38Å; I38-V139 HydrophobicContact CB-CG2 4.48Å; I38-V139 HydrophobicContact CD1-CG2 4.31Å; I38-V139 HydrophobicContact CG1-CG2 4.08Å; I38-V139 HydrophobicContact CG2-CG2 4.1Å; M114-V139 HydrophobicContact CE-CB 4.19Å; M114-V139 HydrophobicContact CE-CG1 4.1Å; M114-V139 WeakPolarHBondContact CE-O 3.37Å; Q118-V139 HydrophobicContact CG-CB 4.04Å; Q118-V139 HydrophobicContact CG-CG2 3.46Å; Q118-V139 VanDerWaalsContact CG-CG2 3.46Å
140	T	67.3	Low	65.3	Low	57 Å²	57	80.2 Å²	80.2	35%	0.35	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.7	179.9	50	0	0	0	0	110.3	Y36 R37	Y36-T140 CarbonylContact C-O 3.46Å; Y36-T140 WeakPolarHBondContact CA-O 3.18Å; Y36-T140 WeakPolarHBondContact CB-O 3.2Å; R37-T140 PolarHBondContact N-O 2.75Å; R37-T140 PolarHBondContact O-N 3.43Å; R37-T140 PolarHBondContact O-OG1 3.4Å
141	P	67.6	Low	65.7	Low	97 Å²	97	71.9 Å²	71.9	63%	0.63	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	146.5	169	27.8	-32	0	0	0	110.1	Y36	Y36-P141 HydrophobicContact CD1-CB 4.19Å; Y36-P141 HydrophobicContact CE1-CB 4.24Å
142	V	65.7	Low	66.3	Low	122 Å²	122	69.3 Å²	69.3	74%	0.739	37%	0.366	S	S	*	.			trans	-117.6	0	-178	-175.4	0	0	0	0	110.8	K35 R37	K35-V142 HydrophobicContact CB-CB 3.82Å; K35-V142 HydrophobicContact CB-CG1 4.48Å; K35-V142 PolarHBondContact O-N 2.82Å; R37-V142 HydrophobicContact CB-CG2 3.51Å

Retrieved 142 of 142 residues in 94.8 ms (Link to these results)

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