A0A075B638_MOUSE Loading...

T cell receptor alpha variable 4-2

AlphaFold DB , UniProt , Accession A0A075B638, Species MOUSE (Mus musculus, Mouse), Gene Trav4-2, Length 110 aa.

						>A0A075B638_MOUSE|A0A075B638|Trav4-2
MERSPGTVLGLLLVPLCWVRGMPVEQNPPALSLYEGAESGLRCNFSTTMKGVQWFQQNHRGRLITLFYLAQGTKENGRLKSTFNSKERYSTLHIKDAQLEDSGTYFCAVE
					

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	48	Very low	65.9	Low	229 Å²	229	147 Å²	147	100%	1.128	84%	0.839	S	S	*	*				0	82.4	0	-159.2	169.2	-174	0	0	105.8
2	E	51.6	Low	66.6	Low	193 Å²	193	148.6 Å²	148.6	90%	0.902	84%	0.842	S	S	*	*			trans	-97.3	117.4	-177.5	-78.3	-75	104.3	0	0	108
3	R	57.3	Low	67.4	Low	227 Å²	227	150 Å²	150	86%	0.857	84%	0.844	S	S	*	*			trans	-104.5	109.4	172.9	-86.8	-177.9	171	175.8	-2.4	108
4	S	61.2	Low	67.9	Low	119 Å²	119	147.6 Å²	147.6	83%	0.832	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-71.3	125.7	168.7	-171.6	0	0	0	0	109.6	G6	S4-G6 PolarHBondContact O-N 2.97Å
5	P	68.1	Low	68.3	Low	116 Å²	116	145.1 Å²	145.1	75%	0.753	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-76.4	120.2	175.9	28	-28.7	0	0	0	110.2
6	G	68.3	Low	68.5	Low	70 Å²	70	144.5 Å²	144.5	72%	0.722	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.3	133.1	175.2	0	0	0	0	0	112.1	S4 V8	S4-G6 PolarHBondContact O-N 2.97Å; G6-V8 PolarHBondContact O-N 3.03Å
7	T	72.6	Confident	68.9	Low	142 Å²	142	143.1 Å²	143.1	87%	0.871	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66.7	119.8	175.8	-41.9	0	0	0	0	110.1
8	V	75	Confident	68.8	Low	137 Å²	137	145.9 Å²	145.9	83%	0.83	81%	0.814	S	S	*	*			trans	-89.5	111.5	171.5	179.8	0	0	0	0	108.2	G6 G10	G6-V8 PolarHBondContact O-N 3.03Å; V8-G10 PolarHBondContact O-N 3.43Å
9	L	75.3	Confident	68.7	Low	157 Å²	157	145.7 Å²	145.7	82%	0.822	82%	0.817	S	S	*	*			trans	-82.6	103.5	171.9	-170.1	69.6	0	0	0	108.8
10	G	72.7	Confident	68.6	Low	64 Å²	64	149.3 Å²	149.3	66%	0.66	82%	0.817	S	S	*	*			trans	-78.9	116	174.5	0	0	0	0	0	111.6	V8 L12	V8-G10 PolarHBondContact O-N 3.43Å; G10-L12 PolarHBondContact O-N 3.3Å
11	L	74.8	Confident	68.6	Low	163 Å²	163	145.2 Å²	145.2	85%	0.853	81%	0.809	S	S	*	*			trans	-77.3	110	167.6	-85.5	153.2	0	0	0	109.4	L13	L11-L13 PolarHBondContact O-N 3.36Å
12	L	74.7	Confident	69.7	Low	166 Å²	166	139 Å²	139	87%	0.869	78%	0.779	S	S	*	*			trans	-72.7	103.2	169.3	-88.8	148.4	0	0	0	109.5	G10 V14	G10-L12 PolarHBondContact O-N 3.3Å; L12-V14 PolarHBondContact O-N 3.46Å
13	L	76.2	Confident	71.2	Confident	167 Å²	167	133.8 Å²	133.8	87%	0.874	76%	0.762	S	S	*	*			trans	-75.6	103.6	168	-73.6	166.9	0	0	0	108.9	L11	L11-L13 PolarHBondContact O-N 3.36Å
14	V	74.7	Confident	72.9	Confident	117 Å²	117	125.5 Å²	125.5	71%	0.709	74%	0.736	S	S	*	*			trans	-72.8	123.1	169.2	-176.9	0	0	0	0	107.8	L12 L16	L12-V14 PolarHBondContact O-N 3.46Å; V14-L16 PolarHBondContact O-N 3.4Å
15	P	73.7	Confident	74.6	Confident	110 Å²	110	125.1 Å²	125.1	71%	0.714	72%	0.721	S	S	*	*			trans	-65	111.2	172.2	8.5	-1.9	0	0	0	108.3	C17	P15-C17 PolarHBondContact O-N 3.37Å
16	L	72	Confident	76.1	Confident	135 Å²	135	122.4 Å²	122.4	71%	0.707	70%	0.698	S	S	*	*			trans	-68.6	95.6	169.1	-72.4	160.4	0	0	0	107.4	V14 W18	V14-L16 PolarHBondContact O-N 3.4Å; L16-W18 PolarHBondContact O-N 3.2Å
17	C	74.4	Confident	77.5	Confident	120 Å²	120	122 Å²	122	81%	0.811	68%	0.679	S	S	*	*			trans	-64.6	90.2	166.3	-78.8	0	0	0	0	108.5	P15 V19	P15-C17 PolarHBondContact O-N 3.37Å; C17-V19 PolarHBondContact O-N 3.02Å
18	W	68.7	Low	78.7	Confident	194 Å²	194	117.7 Å²	117.7	74%	0.735	65%	0.654	S	S	*	*			trans	-71.5	109.2	171.1	-67	-14.9	0	0	0	109	L16 R20	L16-W18 PolarHBondContact O-N 3.2Å; W18-R20 PolarHBondContact O-N 3.2Å; W18-R20 VanDerWaalsContact O-N 3.13Å
19	V	65.5	Low	79.8	Confident	143 Å²	143	117.3 Å²	117.3	87%	0.867	66%	0.655	S	S	*	*			trans	-68	106.8	165.4	179.5	0	0	0	0	107.1	C17 G21	C17-V19 PolarHBondContact O-N 3.02Å; V19-G21 PolarHBondContact O-N 2.91Å
20	R	67.9	Low	80.8	Confident	217 Å²	217	113.9 Å²	113.9	82%	0.819	65%	0.648	S	S	*	*			trans	-83.4	108	170.4	-69.5	-173.6	179.5	-172.7	0.3	108.1	W18	W18-R20 PolarHBondContact O-N 3.2Å; W18-R20 VanDerWaalsContact O-N 3.13Å
21	G	67.7	Low	82	Confident	64 Å²	64	114.4 Å²	114.4	66%	0.66	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-63.8	151.1	167	0	0	0	0	0	110.9	V19	V19-G21 PolarHBondContact O-N 2.91Å
22	M	72.2	Confident	83.1	Confident	99 Å²	99	112.5 Å²	112.5	49%	0.488	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-68.5	130.1	172.1	-71.5	-60.7	-67.9	0	0	109.3	V24 T47 M49	M22-V24 PolarHBondContact O-N 3.38Å; M22-T47 HydrophobicContact CE-CG2 3.53Å; M22-T47 WeakPolarHBondContact CE-OG1 3.39Å; M22-M49 HydrophobicContact CB-CE 4.46Å; M22-M49 HydrophobicContact CE-CE 4.04Å
23	P	82.4	Confident	84.1	Confident	83 Å²	83	108 Å²	108	54%	0.539	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-69.3	120.4	-178.1	26.7	-31.9	0	0	0	109.7	S46	P23-S46 WeakPolarHBondContact CG-OG 3.44Å
24	V	93.6	Very high	85.1	Confident	53 Å²	53	109.7 Å²	109.7	32%	0.321	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	128.2	169.8	176.6	0	0	0	0	107.4	M22 Q26 C43 F45 V109	M22-V24 PolarHBondContact O-N 3.38Å; V24-Q26 HydrophobicContact CG1-CG 4.44Å; V24-C43 WeakPolarHBondContact CG1-SG 3.33Å; V24-F45 HydrophobicContact CB-CD1 4.25Å; V24-F45 HydrophobicContact CB-CE1 4.31Å; V24-F45 HydrophobicContact CG1-CD1 3.96Å; V24-F45 HydrophobicContact CG1-CE1 3.6Å; V24-F45 HydrophobicContact CG2-CD1 3.88Å; V24-F45 HydrophobicContact CG2-CE1 4.02Å; V24-V109 HydrophobicContact CG2-CG2 3.63Å
25	E	97	Very high	86.2	Confident	110 Å²	110	109.9 Å²	109.9	51%	0.514	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	118.2	178.9	-170.8	-165.5	151.4	0	0	110.1	N27 C43 N44	E25-N27 PolarHBondContact OE1-ND2 3.3Å; E25-C43 CarbonylContact O-C 3.57Å; E25-C43 VanDerWaalsContact O-CA 3.3Å; E25-C43 WeakPolarHBondContact O-CA 3.23Å; E25-N44 HydrophobicContact CB-CB 4.42Å; E25-N44 PolarHBondContact N-O 2.93Å; E25-N44 PolarHBondContact O-N 2.86Å
26	Q	98.1	Very high	87.4	Confident	60 Å²	60	106.5 Å²	106.5	28%	0.28	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	137.1	176.7	-71	-170.9	-116.9	0	0	111.6	V24 R42 C43 Y105 C107	V24-Q26 HydrophobicContact CG1-CG 4.44Å; Q26-R42 CarbonylContact C-O 3.54Å; Q26-R42 WeakPolarHBondContact CA-O 3.28Å; Q26-C43 HydrophobicContact CG-CB 4.47Å; Q26-Y105 PolarHBondContact NE2-O 2.84Å; Q26-C107 HydrophobicContact CG-CB 4.03Å; Q26-C107 VanDerWaalsContact OE1-N 3.07Å
27	N	97.9	Very high	88.7	Confident	60 Å²	60	101.7 Å²	101.7	32%	0.321	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.5	140.8	179	-75	-69.7	0	0	0	111.5	E25 R42	E25-N27 PolarHBondContact OE1-ND2 3.3Å; N27-R42 PolarHBondContact N-O 3.17Å; N27-R42 PolarHBondContact O-N 2.99Å
28	P	98.2	Very high	89.8	Confident	53 Å²	53	101.6 Å²	101.6	34%	0.344	55%	0.554	S	S	.	*			cis	-73.4	162.5	-9.9	34.1	-36.9	0	0	0	111.8	A30 L31	P28-A30 VanDerWaalsContact C-N 3.28Å; P28-A30 WeakPolarHBondContact CB-O 3.33Å; P28-A30 WeakPolarHBondContact CG-O 3.32Å; P28-A30 PolarHBondContact O-N 3.2Å; P28-L31 HydrophobicContact CG-CB 4.05Å; P28-L31 HydrophobicContact CG-CD1 4.34Å
29	P	97.4	Very high	91.2	Very high	129 Å²	129	93.6 Å²	93.6	84%	0.838	53%	0.528	S	S	*	.	S	Bend	trans	-68	-28.1	177	26.5	-34.7	0	0	0	113.2
30	A	97.7	Very high	92.7	Very high	84 Å²	84	88.7 Å²	88.7	69%	0.694	51%	0.507	S	S	*	.	S	Bend	trans	-145.2	149.8	173.3	0	0	0	0	0	109	P28	P28-A30 VanDerWaalsContact C-N 3.28Å; P28-A30 WeakPolarHBondContact CB-O 3.33Å; P28-A30 WeakPolarHBondContact CG-O 3.32Å; P28-A30 PolarHBondContact O-N 3.2Å
31	L	97.6	Very high	94.2	Very high	76 Å²	76	79.3 Å²	79.3	40%	0.398	47%	0.472	S	S	.	.			trans	-142	133.6	-177.2	179.2	64	0	0	0	109.3	P28 L33 S39	P28-L31 HydrophobicContact CG-CB 4.05Å; P28-L31 HydrophobicContact CG-CD1 4.34Å; L31-L33 HydrophobicContact CD2-CD2 3.86Å; L31-L33 HydrophobicContact CG-CD2 4.12Å; L31-S39 VanDerWaalsContact CD2-OG 3.26Å; L31-S39 WeakPolarHBondContact CD2-OG 3.43Å
32	S	97.5	Very high	95.6	Very high	122 Å²	122	81.5 Å²	81.5	85%	0.853	46%	0.461	S	S	*	.			trans	-125.3	133.9	170.6	-58.2	0	0	0	0	108.3
33	L	96	Very high	96.9	Very high	71 Å²	71	76.8 Å²	76.8	37%	0.372	44%	0.438	S	S	.	.			trans	-147.9	158.3	-175.4	59.2	86.9	0	0	0	109.5	L31 A37 A97	L31-L33 HydrophobicContact CD2-CD2 3.86Å; L31-L33 HydrophobicContact CG-CD2 4.12Å; L33-A37 HydrophobicContact CB-CB 4.37Å; L33-A97 HydrophobicContact CD1-CB 3.27Å
34	Y	97.6	Very high	97.6	Very high	203 Å²	203	74.9 Å²	74.9	80%	0.796	42%	0.423	S	S	*	.			trans	-82	151	173.4	-65.5	-73.1	0	0	0	110.7	G36 A37	Y34-G36 PolarHBondContact O-N 2.86Å; Y34-A37 WeakPolarHBondContact O-CB 3.46Å; Y34-A37 PolarHBondContact O-N 3.28Å
35	E	98.1	Very high	97.6	Very high	121 Å²	121	73.1 Å²	73.1	57%	0.565	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	139.1	167.7	-167.7	174.1	-165.2	0	0	110.1	A37 A97	E35-A37 PolarHBondContact O-N 3.12Å; E35-A97 CarbonylContact C-O 3.58Å; E35-A97 WeakPolarHBondContact CA-O 3.26Å; E35-A97 WeakPolarHBondContact CG-O 3.5Å
36	G	98	Very high	97.4	Very high	39 Å²	39	70.5 Å²	70.5	40%	0.402	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-10.7	-173.1	0	0	0	0	0	115.4	Y34 D96 A97	Y34-G36 PolarHBondContact O-N 2.86Å; G36-D96 WeakPolarHBondContact CA-OD1 3.41Å; G36-A97 PolarHBondContact N-O 2.96Å
37	A	98.3	Very high	97.2	Very high	34 Å²	34	70.4 Å²	70.4	28%	0.281	41%	0.408	S	S	.	.			trans	-72.2	161.9	176.6	0	0	0	0	0	112.2	L33 Y34 E35 D96 A97	L33-A37 HydrophobicContact CB-CB 4.37Å; Y34-A37 WeakPolarHBondContact O-CB 3.46Å; Y34-A37 PolarHBondContact O-N 3.28Å; E35-A37 PolarHBondContact O-N 3.12Å; A37-D96 PolarHBondContact O-N 3.19Å; A37-A97 WeakPolarHBondContact O-CB 3.26Å; A37-A97 PolarHBondContact O-N 3.44Å
38	E	98	Very high	96.9	Very high	119 Å²	119	71.8 Å²	71.8	56%	0.556	42%	0.419	S	S	*	.			trans	-107.4	144.6	171.4	-53.3	-166.8	152.6	0	0	110.6	H93 I94 K95	E38-H93 IonicContact OE2-CE1 3.25Å; E38-H93 IonicContact OE2-NE2 2.72Å; E38-I94 VanDerWaalsContact CA-O 3.3Å; E38-I94 WeakPolarHBondContact CA-O 3.35Å; E38-K95 HydrophobicContact CG-CB 4.48Å
39	S	97.6	Very high	96.8	Very high	25 Å²	25	69.8 Å²	69.8	18%	0.175	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	164.2	174	-158.8	0	0	0	0	113.2	L31 H93 I94	L31-S39 VanDerWaalsContact CD2-OG 3.26Å; L31-S39 WeakPolarHBondContact CD2-OG 3.43Å; S39-H93 WeakPolarHBondContact O-CA 3.11Å; S39-H93 PolarHBondContact O-ND1 3.45Å; S39-I94 PolarHBondContact N-O 2.97Å; S39-I94 PolarHBondContact O-N 3.49Å
40	G	97.8	Very high	96.7	Very high	41 Å²	41	71.6 Å²	71.6	42%	0.423	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.7	-178.5	0	0	0	0	0	111.8	L92	G40-L92 CarbonylContact C-O 3.58Å; G40-L92 WeakPolarHBondContact CA-O 3.34Å
41	L	98.6	Very high	96.7	Very high	19 Å²	19	67.6 Å²	67.6	10%	0.099	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.8	166.9	-58	93	0	0	0	109.2	W54 T91 L92 I94 Y105	L41-W54 HydrophobicContact CB-CH2 3.92Å; L41-W54 HydrophobicContact CB-CZ3 4.22Å; L41-T91 CarbonylContact O-C 3.58Å; L41-T91 VanDerWaalsContact O-CA 3.27Å; L41-T91 WeakPolarHBondContact O-CA 3.3Å; L41-L92 HydrophobicContact CB-CB 4.43Å; L41-L92 HydrophobicContact CD1-CD2 4.38Å; L41-L92 HydrophobicContact CD1-CG 4.45Å; L41-L92 PolarHBondContact N-O 3.03Å; L41-L92 PolarHBondContact O-N 3.43Å; L41-I94 HydrophobicContact CD1-CD1 3.88Å; L41-I94 HydrophobicContact CD1-CG1 4.3Å; L41-Y105 HydrophobicContact CD2-CD2 4.25Å; L41-Y105 HydrophobicContact CD2-CG 3.91Å
42	R	98.4	Very high	96.7	Very high	111 Å²	111	64.1 Å²	64.1	42%	0.419	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.9	177.9	-179.7	173	-73.9	-96.6	0.9	109.9	Q26 N27	Q26-R42 CarbonylContact C-O 3.54Å; Q26-R42 WeakPolarHBondContact CA-O 3.28Å; N27-R42 PolarHBondContact N-O 3.17Å; N27-R42 PolarHBondContact O-N 2.99Å
43	C	98.2	Very high	96.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118.7	177	-171.9	0	0	0	0	108.5	V24 E25 Q26 F45 W54 Y89 S90 C107	V24-C43 WeakPolarHBondContact CG1-SG 3.33Å; E25-C43 CarbonylContact O-C 3.57Å; E25-C43 VanDerWaalsContact O-CA 3.3Å; E25-C43 WeakPolarHBondContact O-CA 3.23Å; Q26-C43 HydrophobicContact CG-CB 4.47Å; C43-F45 HydrophobicContact CB-CE1 4.39Å; C43-F45 HydrophobicContact CB-CZ 4.04Å; C43-F45 WeakPolarHBondContact SG-CE1 3.33Å; C43-F45 WeakPolarHBondContact SG-CZ 3.44Å; C43-W54 HydrophobicContact CB-CH2 3.86Å; C43-W54 HydrophobicContact CB-CZ2 3.61Å; C43-Y89 CarbonylContact O-C 3.39Å; C43-Y89 WeakPolarHBondContact O-CA 3.35Å; C43-Y89 WeakPolarHBondContact O-CB 3.47Å; C43-S90 PolarHBondContact N-O 3.24Å; C43-S90 PolarHBondContact O-N 3.19Å; C43-C107 HydrophobicContact CB-CB 3.65Å; C43-C107 WeakPolarHBondContact CB-SG 3.05Å; C43-C107 WeakPolarHBondContact SG-CB 3.11Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 2.91Å
44	N	97.5	Very high	96.8	Very high	43 Å²	43	57.9 Å²	57.9	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151.8	-179.3	-57.8	-47.7	0	0	0	110.5	E25 R88 Y89	E25-N44 HydrophobicContact CB-CB 4.42Å; E25-N44 PolarHBondContact N-O 2.93Å; E25-N44 PolarHBondContact O-N 2.86Å; N44-R88 WeakPolarHBondContact CA-O 3.43Å; N44-Y89 WeakPolarHBondContact OD1-CB 3.43Å
45	F	94.5	Very high	96.9	Very high	15 Å²	15	50 Å²	50	7%	0.066	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.8	-177.9	-40.9	-65.9	0	0	0	111.5	V24 C43 M49 V52 F83 R88 C107 V109	V24-F45 HydrophobicContact CB-CD1 4.25Å; V24-F45 HydrophobicContact CB-CE1 4.31Å; V24-F45 HydrophobicContact CG1-CD1 3.96Å; V24-F45 HydrophobicContact CG1-CE1 3.6Å; V24-F45 HydrophobicContact CG2-CD1 3.88Å; V24-F45 HydrophobicContact CG2-CE1 4.02Å; C43-F45 HydrophobicContact CB-CE1 4.39Å; C43-F45 HydrophobicContact CB-CZ 4.04Å; C43-F45 WeakPolarHBondContact SG-CE1 3.33Å; C43-F45 WeakPolarHBondContact SG-CZ 3.44Å; F45-M49 HydrophobicContact CB-CE 3.81Å; F45-M49 HydrophobicContact CB-CG 4.15Å; F45-M49 HydrophobicContact CD2-CG 4.07Å; F45-M49 HydrophobicContact CG-CE 4.41Å; F45-M49 HydrophobicContact CG-CG 4.05Å; F45-V52 HydrophobicContact CZ-CG2 4.08Å; F45-F83 HydrophobicContact CE2-CE2 4.28Å; F45-R88 PolarHBondContact N-O 2.96Å; F45-R88 WeakPolarHBondContact O-CB 3.42Å; F45-C107 VanDerWaalsContact CZ-SG 3.57Å; F45-V109 HydrophobicContact CD1-CB 4.29Å; F45-V109 HydrophobicContact CD1-CG1 3.64Å; F45-V109 HydrophobicContact CD1-CG2 3.72Å; F45-V109 HydrophobicContact CD2-CG1 4.03Å; F45-V109 HydrophobicContact CE1-CB 4.07Å; F45-V109 HydrophobicContact CE1-CG1 3.07Å; F45-V109 HydrophobicContact CE1-CG2 3.84Å; F45-V109 HydrophobicContact CE2-CG1 3.56Å; F45-V109 HydrophobicContact CG-CG1 4.08Å; F45-V109 HydrophobicContact CG-CG2 4.38Å; F45-V109 HydrophobicContact CZ-CB 4.39Å; F45-V109 HydrophobicContact CZ-CG1 3.05Å
46	S	92.6	Very high	96.9	Very high	55 Å²	55	45.2 Å²	45.2	39%	0.385	25%	0.252	S	S	.	.	S	Bend	trans	-76.3	-28.3	178.5	54.9	0	0	0	0	113.5	P23 R88	P23-S46 WeakPolarHBondContact CG-OG 3.44Å; S46-R88 PolarHBondContact O-NH1 2.85Å
47	T	92.6	Very high	96.9	Very high	58 Å²	58	46.3 Å²	46.3	36%	0.356	25%	0.247	S	C	.	.	S	Bend	trans	-126.5	169	-177.4	64.4	0	0	0	0	112.2	M22 M49	M22-T47 HydrophobicContact CE-CG2 3.53Å; M22-T47 WeakPolarHBondContact CE-OG1 3.39Å; T47-M49 WeakPolarHBondContact OG1-CE 3.3Å
48	T	93.3	Very high	96.7	Very high	90 Å²	90	46.2 Å²	46.2	55%	0.552	24%	0.241	S	C	*	.			trans	-63.3	131.8	170.3	-54	0	0	0	0	109.8	S85	T48-S85 WeakPolarHBondContact CG2-OG 3.42Å
49	M	94.9	Very high	96.5	Very high	11 Å²	11	48.2 Å²	48.2	5%	0.054	25%	0.25	C	S	.	.			trans	-114.8	147.8	179.4	-57.6	-57.9	170.7	0	0	109.8	M22 F45 T47 F83 S85 V109 E110	M22-M49 HydrophobicContact CB-CE 4.46Å; M22-M49 HydrophobicContact CE-CE 4.04Å; F45-M49 HydrophobicContact CB-CE 3.81Å; F45-M49 HydrophobicContact CB-CG 4.15Å; F45-M49 HydrophobicContact CD2-CG 4.07Å; F45-M49 HydrophobicContact CG-CE 4.41Å; F45-M49 HydrophobicContact CG-CG 4.05Å; T47-M49 WeakPolarHBondContact OG1-CE 3.3Å; M49-F83 HydrophobicContact CB-CE2 4.34Å; M49-F83 HydrophobicContact CB-CZ 3.95Å; M49-F83 WeakPolarHBondContact O-CZ 3.32Å; M49-S85 VanDerWaalsContact O-CB 3.27Å; M49-S85 WeakPolarHBondContact O-CB 3.37Å; M49-S85 PolarHBondContact O-OG 3Å; M49-V109 HydrophobicContact CB-CB 4.1Å; M49-V109 HydrophobicContact CB-CG1 4.27Å; M49-V109 HydrophobicContact CE-CG2 3.99Å; M49-V109 HydrophobicContact CG-CB 3.71Å; M49-V109 HydrophobicContact CG-CG1 3.98Å; M49-V109 HydrophobicContact CG-CG2 3.98Å; M49-V109 HydrophobicContact SD-CB 4.03Å; M49-V109 HydrophobicContact SD-CG2 3.88Å; M49-E110 CarbonylContact C-O 3.58Å; M49-E110 WeakPolarHBondContact CA-O 3.44Å; M49-E110 WeakPolarHBondContact CB-O 3.37Å
50	K	96.1	Very high	96.3	Very high	167 Å²	167	56.8 Å²	56.8	73%	0.726	28%	0.279	S	S	*	.	S	Bend	trans	-80	-28.7	173.4	-65.3	178.4	-179.8	174.6	0	112.3	A70 E110	K50-A70 WeakPolarHBondContact O-CA 3.12Å; K50-E110 WeakPolarHBondContact CA-O 3.49Å; K50-E110 PolarHBondContact N-O 2.57Å
51	G	96.9	Very high	96.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.279	C	S	.	.			trans	-157.6	162.6	-178.7	0	0	0	0	0	113.4	L69 V109 E110	G51-L69 CarbonylContact C-O 3.5Å; G51-L69 VanDerWaalsContact CA-O 3.27Å; G51-L69 WeakPolarHBondContact CA-O 3.27Å; G51-V109 WeakPolarHBondContact O-CA 3.22Å; G51-E110 PolarHBondContact N-O 2.91Å; G51-E110 PolarHBondContact O-N 3.41Å
52	V	97.7	Very high	96.1	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.6	170.3	68.3	0	0	0	0	110.2	F45 Y68 L69 F83 C107 A108 V109	F45-V52 HydrophobicContact CZ-CG2 4.08Å; V52-Y68 WeakPolarHBondContact O-CA 3.47Å; V52-L69 HydrophobicContact CG1-CB 4.04Å; V52-L69 HydrophobicContact CG1-CD1 3.87Å; V52-L69 PolarHBondContact N-O 2.97Å; V52-L69 PolarHBondContact O-N 2.69Å; V52-F83 HydrophobicContact CB-CD2 4.1Å; V52-F83 HydrophobicContact CB-CE2 4.46Å; V52-F83 HydrophobicContact CB-CG 4.25Å; V52-F83 HydrophobicContact CG1-CB 3.55Å; V52-F83 HydrophobicContact CG1-CD1 4.11Å; V52-F83 HydrophobicContact CG1-CD2 3.8Å; V52-F83 HydrophobicContact CG1-CG 3.54Å; V52-C107 VanDerWaalsContact CG2-SG 3.59Å; V52-A108 CarbonylContact C-O 3.57Å; V52-A108 VanDerWaalsContact CA-O 3.31Å; V52-A108 WeakPolarHBondContact CA-O 3.27Å; V52-A108 WeakPolarHBondContact CG2-O 3.42Å; V52-V109 HydrophobicContact CB-CG1 4.02Å; V52-V109 HydrophobicContact CG2-CG1 3.88Å
53	Q	98	Very high	96	Very high	63 Å²	63	63.8 Å²	63.8	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.3	173	-165.5	168.9	-20.9	0	0	110.2	F55 T65 F67 A108	Q53-F55 HydrophobicContact CB-CE2 3.8Å; Q53-F55 HydrophobicContact CB-CZ 4.05Å; Q53-F55 HydrophobicContact CG-CD2 4.3Å; Q53-F55 HydrophobicContact CG-CE1 4.02Å; Q53-F55 HydrophobicContact CG-CE2 3.57Å; Q53-F55 HydrophobicContact CG-CZ 3.43Å; Q53-F55 VanDerWaalsContact CG-CZ 3.43Å; Q53-T65 HydrophobicContact CG-CG2 4.1Å; Q53-T65 PolarHBondContact NE2-OG1 3.46Å; Q53-F67 VanDerWaalsContact CA-O 3.32Å; Q53-F67 WeakPolarHBondContact CA-O 3.36Å; Q53-F67 WeakPolarHBondContact CG-O 3.36Å; Q53-A108 PolarHBondContact N-O 3.16Å; Q53-A108 PolarHBondContact O-N 3.4Å
54	W	98.5	Very high	96	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.3	174.4	-80.7	98.6	0	0	0	110.4	L41 C43 L66 F67 S81 S90 L92 F106 C107	L41-W54 HydrophobicContact CB-CH2 3.92Å; L41-W54 HydrophobicContact CB-CZ3 4.22Å; C43-W54 HydrophobicContact CB-CH2 3.86Å; C43-W54 HydrophobicContact CB-CZ2 3.61Å; W54-L66 HydrophobicContact CB-CB 4.22Å; W54-L66 PolarHBondContact O-N 2.82Å; W54-F67 PolarHBondContact N-O 2.79Å; W54-F67 PolarHBondContact O-N 3.22Å; W54-S81 VanDerWaalsContact CD1-OG 3.24Å; W54-S81 PolarHBondContact NE1-OG 2.88Å; W54-S90 PolarHBondContact NE1-OG 2.02Å; W54-L92 HydrophobicContact CB-CD2 4.43Å; W54-L92 HydrophobicContact CD2-CB 3.72Å; W54-L92 HydrophobicContact CD2-CD2 3.93Å; W54-L92 HydrophobicContact CD2-CG 4.37Å; W54-L92 HydrophobicContact CE3-CB 3.97Å; W54-L92 HydrophobicContact CE3-CD2 3.65Å; W54-L92 HydrophobicContact CE3-CG 4.45Å; W54-L92 HydrophobicContact CG-CB 4.26Å; W54-L92 HydrophobicContact CG-CD2 4.28Å; W54-L92 HydrophobicContact CH2-CB 4.05Å; W54-L92 HydrophobicContact CZ2-CB 3.82Å; W54-L92 HydrophobicContact CZ3-CB 4.12Å; W54-L92 HydrophobicContact CZ3-CD2 4.18Å; W54-F106 WeakPolarHBondContact CA-O 3.27Å; W54-C107 HydrophobicContact CD2-CB 4.26Å; W54-C107 HydrophobicContact CE3-CB 4.04Å; W54-C107 HydrophobicContact CH2-CB 3.88Å; W54-C107 HydrophobicContact CZ2-CB 4.07Å; W54-C107 HydrophobicContact CZ3-CB 3.86Å
55	F	98.3	Very high	96	Very high	38 Å²	38	68.2 Å²	68.2	17%	0.167	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.1	177.2	-52.1	-98.6	0	0	0	111.3	Q53 L63 I64 Y105 F106 A108	Q53-F55 HydrophobicContact CB-CE2 3.8Å; Q53-F55 HydrophobicContact CB-CZ 4.05Å; Q53-F55 HydrophobicContact CG-CD2 4.3Å; Q53-F55 HydrophobicContact CG-CE1 4.02Å; Q53-F55 HydrophobicContact CG-CE2 3.57Å; Q53-F55 HydrophobicContact CG-CZ 3.43Å; Q53-F55 VanDerWaalsContact CG-CZ 3.43Å; F55-L63 HydrophobicContact CB-CD2 3.92Å; F55-L63 HydrophobicContact CG-CD2 4.49Å; F55-I64 CarbonylContact C-O 3.56Å; F55-I64 WeakPolarHBondContact CA-O 3.44Å; F55-Y105 CarbonylContact O-C 3.6Å; F55-Y105 VanDerWaalsContact O-CA 3.3Å; F55-Y105 WeakPolarHBondContact O-CA 3.25Å; F55-F106 HydrophobicContact CB-CB 4.29Å; F55-F106 HydrophobicContact CD2-CB 4.35Å; F55-F106 PolarHBondContact N-O 3.32Å; F55-F106 PolarHBondContact O-N 3.46Å; F55-A108 HydrophobicContact CE2-CB 3.95Å
56	Q	98.2	Very high	96.2	Very high	20 Å²	20	68.7 Å²	68.7	9%	0.093	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.1	162.9	-171.5	-164.7	21.9	0	0	108.4	I64 L66 E100 D101 Y105	Q56-I64 PolarHBondContact N-O 2.96Å; Q56-I64 PolarHBondContact O-N 2.85Å; Q56-L66 HydrophobicContact CB-CD1 4.11Å; Q56-L66 HydrophobicContact CB-CD2 4.02Å; Q56-L66 HydrophobicContact CB-CG 4.24Å; Q56-E100 PolarHBondContact NE2-O 2.87Å; Q56-E100 VanDerWaalsContact NE2-O 3.12Å; Q56-D101 VanDerWaalsContact NE2-C 3.29Å; Q56-D101 PolarHBondContact NE2-O 2.72Å; Q56-Y105 HydrophobicContact CB-CD1 4.4Å; Q56-Y105 HydrophobicContact CB-CE1 4.17Å; Q56-Y105 HydrophobicContact CG-CE1 4.1Å; Q56-Y105 HydrophobicContact CG-CE2 4.3Å
57	Q	98.3	Very high	96.5	Very high	62 Å²	62	66.7 Å²	66.7	29%	0.29	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.1	164	-171.1	176.1	34.4	0	0	108.6	G61 R62 L63 G103 T104 F106	Q57-G61 PolarHBondContact NE2-O 3.09Å; Q57-R62 WeakPolarHBondContact CA-O 3.22Å; Q57-L63 HydrophobicContact CB-CD2 3.91Å; Q57-L63 HydrophobicContact CG-CD2 4.49Å; Q57-G103 VanDerWaalsContact O-CA 3.23Å; Q57-G103 WeakPolarHBondContact O-CA 3.45Å; Q57-T104 PolarHBondContact N-O 3.21Å; Q57-T104 PolarHBondContact O-N 3.35Å; Q57-F106 HydrophobicContact CB-CD2 4.33Å; Q57-F106 HydrophobicContact CB-CE2 3.83Å
58	N	94.2	Very high	96.7	Very high	32 Å²	32	68.8 Å²	68.8	17%	0.171	33%	0.326	C	S	.	.			trans	-78.4	175.7	178.5	68.2	14.2	0	0	0	111.9	R60 G61 R62 I64	N58-R60 PolarHBondContact O-N 2.92Å; N58-R60 WeakPolarHBondContact OD1-CA 3.49Å; N58-R60 WeakPolarHBondContact OD1-CB 3.3Å; N58-R60 PolarHBondContact OD1-N 2.92Å; N58-G61 PolarHBondContact O-N 2.77Å; N58-G61 PolarHBondContact OD1-N 2.84Å; N58-R62 PolarHBondContact N-O 3.26Å; N58-R62 PolarHBondContact OD1-N 3.39Å; N58-I64 HydrophobicContact CB-CD1 4.48Å
59	H	93.2	Very high	97	Very high	160 Å²	160	64.6 Å²	64.6	74%	0.741	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.2	177.5	63.6	-92.9	0	0	0	114.7	G61	H59-G61 VanDerWaalsContact C-N 3.32Å
60	R	95.2	Very high	97.1	Very high	206 Å²	206	66.8 Å²	66.8	78%	0.777	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	3.2	175.2	-52.2	-170.6	-178.8	-159.7	0.6	112.9	N58 R62	N58-R60 PolarHBondContact O-N 2.92Å; N58-R60 WeakPolarHBondContact OD1-CA 3.49Å; N58-R60 WeakPolarHBondContact OD1-CB 3.3Å; N58-R60 PolarHBondContact OD1-N 2.92Å; R60-R62 PolarHBondContact O-N 2.8Å
61	G	94.5	Very high	97.1	Very high	41 Å²	41	64 Å²	64	42%	0.423	31%	0.309	S	S	.	.			trans	75	3	-177.4	0	0	0	0	0	114.5	Q57 N58 H59	Q57-G61 PolarHBondContact NE2-O 3.09Å; N58-G61 PolarHBondContact O-N 2.77Å; N58-G61 PolarHBondContact OD1-N 2.84Å; H59-G61 VanDerWaalsContact C-N 3.32Å
62	R	96.6	Very high	97.2	Very high	180 Å²	180	65.2 Å²	65.2	68%	0.679	32%	0.323	S	S	*	.			trans	-78.1	126.9	-179.2	-177.8	178.2	176.1	-176.5	-0.9	110.1	Q57 N58 R60 I64	Q57-R62 WeakPolarHBondContact CA-O 3.22Å; N58-R62 PolarHBondContact N-O 3.26Å; N58-R62 PolarHBondContact OD1-N 3.39Å; R60-R62 PolarHBondContact O-N 2.8Å; R62-I64 HydrophobicContact CG-CG1 4.37Å
63	L	97.1	Very high	97.2	Very high	96 Å²	96	68.8 Å²	68.8	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.3	169.1	-77	170.5	0	0	0	110.5	F55 Q57 F106	F55-L63 HydrophobicContact CB-CD2 3.92Å; F55-L63 HydrophobicContact CG-CD2 4.49Å; Q57-L63 HydrophobicContact CB-CD2 3.91Å; Q57-L63 HydrophobicContact CG-CD2 4.49Å; L63-F106 HydrophobicContact CD2-CD2 3.7Å; L63-F106 HydrophobicContact CD2-CE2 4.08Å
64	I	97.4	Very high	97.3	Very high	59 Å²	59	70.8 Å²	70.8	30%	0.303	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.2	177.3	-61.2	163.8	0	0	0	107.6	F55 Q56 N58 R62 L66	F55-I64 CarbonylContact C-O 3.56Å; F55-I64 WeakPolarHBondContact CA-O 3.44Å; Q56-I64 PolarHBondContact N-O 2.96Å; Q56-I64 PolarHBondContact O-N 2.85Å; N58-I64 HydrophobicContact CB-CD1 4.48Å; R62-I64 HydrophobicContact CG-CG1 4.37Å; I64-L66 PolarHBondContact O-N 2.76Å
65	T	97.9	Very high	97.3	Very high	78 Å²	78	76.4 Å²	76.4	48%	0.479	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	122.6	173.2	-58.9	0	0	0	0	109.8	Q53	Q53-T65 HydrophobicContact CG-CG2 4.1Å; Q53-T65 PolarHBondContact NE2-OG1 3.46Å
66	L	98.3	Very high	97.2	Very high	24 Å²	24	79.5 Å²	79.5	13%	0.126	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-49.4	176.2	-56.5	178.6	0	0	0	111	W54 Q56 I64 L79 L92 Y105	W54-L66 HydrophobicContact CB-CB 4.22Å; W54-L66 PolarHBondContact O-N 2.82Å; Q56-L66 HydrophobicContact CB-CD1 4.11Å; Q56-L66 HydrophobicContact CB-CD2 4.02Å; Q56-L66 HydrophobicContact CB-CG 4.24Å; I64-L66 PolarHBondContact O-N 2.76Å; L66-L79 HydrophobicContact CD1-CD1 4.25Å; L66-L79 HydrophobicContact CD2-CD1 3.89Å; L66-L79 HydrophobicContact CG-CD1 4.45Å; L66-L92 HydrophobicContact CD1-CD2 3.68Å; L66-Y105 HydrophobicContact CD1-CD1 3.79Å; L66-Y105 HydrophobicContact CD1-CE1 3.65Å
67	F	98.5	Very high	97.1	Very high	13 Å²	13	82.2 Å²	82.2	6%	0.057	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.8	-179.2	-64.9	-78.4	0	0	0	112	Q53 W54 L69 K74 N76 L79 L92	Q53-F67 VanDerWaalsContact CA-O 3.32Å; Q53-F67 WeakPolarHBondContact CA-O 3.36Å; Q53-F67 WeakPolarHBondContact CG-O 3.36Å; W54-F67 PolarHBondContact N-O 2.79Å; W54-F67 PolarHBondContact O-N 3.22Å; F67-L69 HydrophobicContact CB-CD1 3.57Å; F67-L69 HydrophobicContact CB-CG 4.47Å; F67-L69 HydrophobicContact CG-CD1 4.38Å; F67-K74 HydrophobicContact CD1-CB 3.77Å; F67-K74 HydrophobicContact CE1-CB 3.86Å; F67-N76 HydrophobicContact CE1-CB 3.65Å; F67-N76 HydrophobicContact CZ-CB 3.64Å; F67-L79 HydrophobicContact CE2-CB 3.72Å; F67-L79 HydrophobicContact CZ-CB 3.9Å; F67-L92 HydrophobicContact CD2-CD1 3.91Å; F67-L92 HydrophobicContact CE2-CD1 3.74Å
68	Y	98.2	Very high	97.1	Very high	103 Å²	103	82.8 Å²	82.8	40%	0.404	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.2	155.1	168.6	-100.2	0	0	0	108.6	V52 K74 E110	V52-Y68 WeakPolarHBondContact O-CA 3.47Å; Y68-K74 PolarHBondContact O-NZ 2.89Å; Y68-E110 WeakPolarHBondContact CE2-OE1 3.35Å; Y68-E110 PolarHBondContact OH-OE1 3.1Å
69	L	98.4	Very high	97.3	Very high	1 Å²	1	82.3 Å²	82.3	1%	0.005	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.6	178.7	-52.8	94.2	0	0	0	110.2	G51 V52 F67 K74 S81 F83	G51-L69 CarbonylContact C-O 3.5Å; G51-L69 VanDerWaalsContact CA-O 3.27Å; G51-L69 WeakPolarHBondContact CA-O 3.27Å; V52-L69 HydrophobicContact CG1-CB 4.04Å; V52-L69 HydrophobicContact CG1-CD1 3.87Å; V52-L69 PolarHBondContact N-O 2.97Å; V52-L69 PolarHBondContact O-N 2.69Å; F67-L69 HydrophobicContact CB-CD1 3.57Å; F67-L69 HydrophobicContact CB-CG 4.47Å; F67-L69 HydrophobicContact CG-CD1 4.38Å; L69-K74 HydrophobicContact CD2-CB 4.1Å; L69-K74 HydrophobicContact CD2-CG 4.1Å; L69-K74 HydrophobicContact CG-CD 4.31Å; L69-K74 HydrophobicContact CG-CG 4.4Å; L69-S81 WeakPolarHBondContact CD1-OG 3.49Å; L69-S81 WeakPolarHBondContact CD2-O 3.43Å; L69-F83 HydrophobicContact CB-CB 3.83Å; L69-F83 HydrophobicContact CB-CD1 4.4Å; L69-F83 HydrophobicContact CD2-CB 4.34Å; L69-F83 WeakPolarHBondContact O-CD1 3.4Å
70	A	97.7	Very high	97.6	Very high	57 Å²	57	78 Å²	78	47%	0.471	41%	0.406	S	S	.	.	S	Bend	trans	-87.3	-26.8	168.5	0	0	0	0	0	112.5	K50 F83	K50-A70 WeakPolarHBondContact O-CA 3.12Å; A70-F83 WeakPolarHBondContact O-CD1 3.44Å; A70-F83 WeakPolarHBondContact O-CE1 3.36Å
71	Q	97	Very high	97.8	Very high	108 Å²	108	68.1 Å²	68.1	51%	0.505	37%	0.369	S	S	.	.	S	Bend	trans	-171.4	158.7	171	-175.2	62.7	31.5	0	0	108.7
72	G	98.2	Very high	98	Very high	27 Å²	27	67.7 Å²	67.7	28%	0.278	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.5	-149.7	167.2	0	0	0	0	0	112.9	T82 F83	G72-T82 CarbonylContact O-C 3.52Å; G72-T82 WeakPolarHBondContact O-CA 3.36Å; G72-F83 PolarHBondContact N-O 2.87Å; G72-F83 PolarHBondContact O-N 3.19Å
73	T	98.6	Very high	98.1	Very high	77 Å²	77	59.1 Å²	59.1	47%	0.472	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.1	-171.7	-58.4	0	0	0	0	110.9	K80 S81 T82	T73-K80 HydrophobicContact CG2-CD 4.38Å; T73-K80 VanDerWaalsContact CG2-CE 3.45Å; T73-K80 HydrophobicContact CG2-CG 4.02Å; T73-S81 CarbonylContact C-O 3.5Å; T73-S81 VanDerWaalsContact CA-O 3.25Å; T73-S81 WeakPolarHBondContact CA-O 3.39Å; T73-S81 WeakPolarHBondContact CG2-O 3.16Å; T73-T82 WeakPolarHBondContact CG2-OG1 3.36Å; T73-T82 WeakPolarHBondContact OG1-CG2 3.31Å; T73-T82 PolarHBondContact OG1-OG1 2.97Å
74	K	98.6	Very high	98.1	Very high	104 Å²	104	56 Å²	56	45%	0.452	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.4	171.2	-71.4	-172.8	178.2	175.2	0	110.5	F67 Y68 L69 K80 S81	F67-K74 HydrophobicContact CD1-CB 3.77Å; F67-K74 HydrophobicContact CE1-CB 3.86Å; Y68-K74 PolarHBondContact O-NZ 2.89Å; L69-K74 HydrophobicContact CD2-CB 4.1Å; L69-K74 HydrophobicContact CD2-CG 4.1Å; L69-K74 HydrophobicContact CG-CD 4.31Å; L69-K74 HydrophobicContact CG-CG 4.4Å; K74-K80 CarbonylContact O-C 3.45Å; K74-K80 WeakPolarHBondContact O-CA 2.98Å; K74-S81 PolarHBondContact N-O 2.97Å; K74-S81 PolarHBondContact O-N 2.87Å
75	E	98.1	Very high	98	Very high	119 Å²	119	54 Å²	54	56%	0.556	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	143.1	176.6	-64.5	-174.1	-175.2	0	0	109.3	L79 K80	E75-L79 CarbonylContact C-O 3.57Å; E75-L79 WeakPolarHBondContact CA-O 3.3Å; E75-K80 HydrophobicContact CG-CB 3.93Å; E75-K80 HydrophobicContact CG-CD 4.09Å; E75-K80 HydrophobicContact CG-CG 3.77Å; E75-K80 VanDerWaalsContact OE1-CD 3.23Å; E75-K80 WeakPolarHBondContact OE1-CD 2.92Å; E75-K80 WeakPolarHBondContact OE1-CE 3.25Å; E75-K80 IonicContact OE1-NZ 2.97Å; E75-K80 PolarHBondContact OE1-NZ 3.45Å
76	N	96.8	Very high	98	Very high	103 Å²	103	59.2 Å²	59.2	55%	0.551	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	99.8	175.3	-178.5	10.6	0	0	0	108.5	F67 R78 L79	F67-N76 HydrophobicContact CE1-CB 3.65Å; F67-N76 HydrophobicContact CZ-CB 3.64Å; N76-R78 PolarHBondContact O-N 2.89Å; N76-L79 PolarHBondContact N-O 2.85Å; N76-L79 PolarHBondContact O-N 2.97Å
77	G	97.3	Very high	97.9	Very high	77 Å²	77	63.8 Å²	63.8	79%	0.794	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	-119.1	-175.2	0	0	0	0	0	111.6	L79	G77-L79 VanDerWaalsContact C-N 3.28Å; G77-L79 PolarHBondContact O-N 3.02Å
78	R	97.9	Very high	97.8	Very high	73 Å²	73	68.8 Å²	68.8	28%	0.275	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-8.4	179.6	-67.1	-173.4	-59.8	94.3	1.4	114	N76 K95 D96 Q98 D101	N76-R78 PolarHBondContact O-N 2.89Å; R78-K95 WeakPolarHBondContact CB-O 3.14Å; R78-K95 PolarHBondContact NH1-O 2.84Å; R78-K95 PolarHBondContact O-N 3.36Å; R78-D96 WeakPolarHBondContact CD-O 3.23Å; R78-D96 PolarHBondContact NH1-O 2.84Å; R78-D96 VanDerWaalsContact NH1-O 3.09Å; R78-Q98 VanDerWaalsContact CZ-CG 3.48Å; R78-D101 IonicContact CZ-OD1 3.73Å; R78-D101 IonicContact CZ-OD2 2.69Å; R78-D101 VanDerWaalsContact CZ-OD2 3.25Å; R78-D101 IonicContact NH1-OD1 3.75Å; R78-D101 IonicContact NH1-OD2 2.8Å; R78-D101 PolarHBondContact NH1-OD2 3.17Å; R78-D101 VanDerWaalsContact NH2-CG 3.26Å; R78-D101 IonicContact NH2-OD1 3.94Å; R78-D101 PolarHBondContact NH2-OD1 3.05Å; R78-D101 IonicContact NH2-OD2 3.73Å; R78-D101 PolarHBondContact NH2-OD2 2.94Å
79	L	98.4	Very high	97.8	Very high	22 Å²	22	66.2 Å²	66.2	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.5	-176	-53.8	-179.3	0	0	0	111.4	L66 F67 E75 N76 G77 L92 H93 I94	L66-L79 HydrophobicContact CD1-CD1 4.25Å; L66-L79 HydrophobicContact CD2-CD1 3.89Å; L66-L79 HydrophobicContact CG-CD1 4.45Å; F67-L79 HydrophobicContact CE2-CB 3.72Å; F67-L79 HydrophobicContact CZ-CB 3.9Å; E75-L79 CarbonylContact C-O 3.57Å; E75-L79 WeakPolarHBondContact CA-O 3.3Å; N76-L79 PolarHBondContact N-O 2.85Å; N76-L79 PolarHBondContact O-N 2.97Å; G77-L79 VanDerWaalsContact C-N 3.28Å; G77-L79 PolarHBondContact O-N 3.02Å; L79-L92 HydrophobicContact CB-CD1 4.49Å; L79-H93 CarbonylContact C-O 3.52Å; L79-H93 WeakPolarHBondContact CA-O 3.43Å; L79-I94 HydrophobicContact CD2-CB 4.11Å; L79-I94 HydrophobicContact CD2-CG1 3.75Å; L79-I94 HydrophobicContact CD2-CG2 3.94Å
80	K	98.7	Very high	97.8	Very high	69 Å²	69	66.2 Å²	66.2	30%	0.3	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130	174.3	173.5	173.7	-168.1	148.9	0	109.8	T73 K74 E75 L92 H93	T73-K80 HydrophobicContact CG2-CD 4.38Å; T73-K80 VanDerWaalsContact CG2-CE 3.45Å; T73-K80 HydrophobicContact CG2-CG 4.02Å; K74-K80 CarbonylContact O-C 3.45Å; K74-K80 WeakPolarHBondContact O-CA 2.98Å; E75-K80 HydrophobicContact CG-CB 3.93Å; E75-K80 HydrophobicContact CG-CD 4.09Å; E75-K80 HydrophobicContact CG-CG 3.77Å; E75-K80 VanDerWaalsContact OE1-CD 3.23Å; E75-K80 WeakPolarHBondContact OE1-CD 2.92Å; E75-K80 WeakPolarHBondContact OE1-CE 3.25Å; E75-K80 IonicContact OE1-NZ 2.97Å; E75-K80 PolarHBondContact OE1-NZ 3.45Å; K80-L92 CarbonylContact O-C 3.45Å; K80-L92 WeakPolarHBondContact O-CA 3.09Å; K80-H93 HydrophobicContact CB-CB 4.29Å; K80-H93 PolarHBondContact N-O 2.97Å; K80-H93 PolarHBondContact O-N 2.9Å
81	S	98.7	Very high	97.9	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.7	175.1	-176.4	0	0	0	0	111.5	W54 L69 T73 K74 T91	W54-S81 VanDerWaalsContact CD1-OG 3.24Å; W54-S81 PolarHBondContact NE1-OG 2.88Å; L69-S81 WeakPolarHBondContact CD1-OG 3.49Å; L69-S81 WeakPolarHBondContact CD2-O 3.43Å; T73-S81 CarbonylContact C-O 3.5Å; T73-S81 VanDerWaalsContact CA-O 3.25Å; T73-S81 WeakPolarHBondContact CA-O 3.39Å; T73-S81 WeakPolarHBondContact CG2-O 3.16Å; K74-S81 PolarHBondContact N-O 2.97Å; K74-S81 PolarHBondContact O-N 2.87Å; S81-T91 CarbonylContact C-O 3.55Å; S81-T91 WeakPolarHBondContact CA-O 3.42Å; S81-T91 WeakPolarHBondContact CB-O 3.17Å; S81-T91 PolarHBondContact OG-O 2.72Å
82	T	98.8	Very high	98	Very high	31 Å²	31	59.9 Å²	59.9	19%	0.19	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.1	173.2	-61.6	0	0	0	0	109.1	G72 T73 S90 T91	G72-T82 CarbonylContact O-C 3.52Å; G72-T82 WeakPolarHBondContact O-CA 3.36Å; T73-T82 WeakPolarHBondContact CG2-OG1 3.36Å; T73-T82 WeakPolarHBondContact OG1-CG2 3.31Å; T73-T82 PolarHBondContact OG1-OG1 2.97Å; T82-S90 CarbonylContact O-C 3.59Å; T82-S90 WeakPolarHBondContact O-CA 3.09Å; T82-S90 WeakPolarHBondContact O-CB 3.38Å; T82-S90 PolarHBondContact O-OG 2.78Å; T82-T91 PolarHBondContact N-O 2.81Å; T82-T91 PolarHBondContact O-N 3.06Å
83	F	98.7	Very high	98	Very high	1 Å²	1	60.9 Å²	60.9	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.5	173.1	174.7	-133.4	0	0	0	109.9	F45 M49 V52 L69 A70 G72 Y89	F45-F83 HydrophobicContact CE2-CE2 4.28Å; M49-F83 HydrophobicContact CB-CE2 4.34Å; M49-F83 HydrophobicContact CB-CZ 3.95Å; M49-F83 WeakPolarHBondContact O-CZ 3.32Å; V52-F83 HydrophobicContact CB-CD2 4.1Å; V52-F83 HydrophobicContact CB-CE2 4.46Å; V52-F83 HydrophobicContact CB-CG 4.25Å; V52-F83 HydrophobicContact CG1-CB 3.55Å; V52-F83 HydrophobicContact CG1-CD1 4.11Å; V52-F83 HydrophobicContact CG1-CD2 3.8Å; V52-F83 HydrophobicContact CG1-CG 3.54Å; L69-F83 HydrophobicContact CB-CB 3.83Å; L69-F83 HydrophobicContact CB-CD1 4.4Å; L69-F83 HydrophobicContact CD2-CB 4.34Å; L69-F83 WeakPolarHBondContact O-CD1 3.4Å; A70-F83 WeakPolarHBondContact O-CD1 3.44Å; A70-F83 WeakPolarHBondContact O-CE1 3.36Å; G72-F83 PolarHBondContact N-O 2.87Å; G72-F83 PolarHBondContact O-N 3.19Å; F83-Y89 WeakPolarHBondContact CD2-O 3.48Å
84	N	98	Very high	98	Very high	29 Å²	29	57.5 Å²	57.5	16%	0.155	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	101.8	172.7	-169.2	-21.2	0	0	0	109.9	K86 E87 R88 Y89	N84-K86 VanDerWaalsContact C-N 3.32Å; N84-K86 PolarHBondContact O-N 3.48Å; N84-K86 PolarHBondContact OD1-N 3.19Å; N84-K86 VanDerWaalsContact OD1-N 3.1Å; N84-E87 HydrophobicContact CB-CB 4.08Å; N84-E87 VanDerWaalsContact ND2-CG 3.35Å; N84-E87 WeakPolarHBondContact ND2-CG 3.32Å; N84-E87 PolarHBondContact ND2-OE2 2.79Å; N84-E87 CarbonylContact O-C 3.6Å; N84-E87 PolarHBondContact O-N 3.21Å; N84-E87 PolarHBondContact OD1-N 2.82Å; N84-E87 VanDerWaalsContact OD1-N 3.16Å; N84-R88 PolarHBondContact O-N 2.91Å; N84-Y89 HydrophobicContact CB-CE1 4.04Å; N84-Y89 HydrophobicContact CB-CE2 4.48Å; N84-Y89 PolarHBondContact N-O 2.92Å; N84-Y89 PolarHBondContact O-N 2.81Å
85	S	96.3	Very high	98	Very high	17 Å²	17	56.7 Å²	56.7	12%	0.119	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-39.3	179.1	-179	0	0	0	0	112.8	T48 M49 R88	T48-S85 WeakPolarHBondContact CG2-OG 3.42Å; M49-S85 VanDerWaalsContact O-CB 3.27Å; M49-S85 WeakPolarHBondContact O-CB 3.37Å; M49-S85 PolarHBondContact O-OG 3Å; S85-R88 PolarHBondContact O-N 2.81Å
86	K	96	Very high	98	Very high	188 Å²	188	54.9 Å²	54.9	82%	0.817	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-40.7	-179.2	-173.9	-179	178.6	-175.5	0	112	N84 R88	N84-K86 VanDerWaalsContact C-N 3.32Å; N84-K86 PolarHBondContact O-N 3.48Å; N84-K86 PolarHBondContact OD1-N 3.19Å; N84-K86 VanDerWaalsContact OD1-N 3.1Å; K86-R88 VanDerWaalsContact C-N 3.29Å
87	E	97.2	Very high	98	Very high	120 Å²	120	50.1 Å²	50.1	56%	0.561	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	0.5	177.8	-65.3	177	171.1	0	0	112.9	N84 Y89	N84-E87 HydrophobicContact CB-CB 4.08Å; N84-E87 VanDerWaalsContact ND2-CG 3.35Å; N84-E87 WeakPolarHBondContact ND2-CG 3.32Å; N84-E87 PolarHBondContact ND2-OE2 2.79Å; N84-E87 CarbonylContact O-C 3.6Å; N84-E87 PolarHBondContact O-N 3.21Å; N84-E87 PolarHBondContact OD1-N 2.82Å; N84-E87 VanDerWaalsContact OD1-N 3.16Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 HydrophobicContact CB-CD1 3.66Å; E87-Y89 HydrophobicContact CB-CE1 3.49Å; E87-Y89 VanDerWaalsContact CB-CE1 3.49Å; E87-Y89 HydrophobicContact CG-CE1 4.37Å; E87-Y89 PolarHBondContact O-N 3.47Å; E87-Y89 WeakPolarHBondContact OE2-CE1 3.02Å; E87-Y89 PolarHBondContact OE2-OH 3.13Å
88	R	96.8	Very high	98	Very high	119 Å²	119	49.2 Å²	49.2	45%	0.449	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	42.2	173.8	-53	-179.3	-174.3	158.9	6.4	114.3	N44 F45 S46 N84 S85 K86	N44-R88 WeakPolarHBondContact CA-O 3.43Å; F45-R88 PolarHBondContact N-O 2.96Å; F45-R88 WeakPolarHBondContact O-CB 3.42Å; S46-R88 PolarHBondContact O-NH1 2.85Å; N84-R88 PolarHBondContact O-N 2.91Å; S85-R88 PolarHBondContact O-N 2.81Å; K86-R88 VanDerWaalsContact C-N 3.29Å
89	Y	98.1	Very high	97.9	Very high	49 Å²	49	51.2 Å²	51.2	19%	0.192	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	161.5	171.5	74.5	-95.7	0	0	0	113	C43 N44 F83 N84 E87 T91	C43-Y89 CarbonylContact O-C 3.39Å; C43-Y89 WeakPolarHBondContact O-CA 3.35Å; C43-Y89 WeakPolarHBondContact O-CB 3.47Å; N44-Y89 WeakPolarHBondContact OD1-CB 3.43Å; F83-Y89 WeakPolarHBondContact CD2-O 3.48Å; N84-Y89 HydrophobicContact CB-CE1 4.04Å; N84-Y89 HydrophobicContact CB-CE2 4.48Å; N84-Y89 PolarHBondContact N-O 2.92Å; N84-Y89 PolarHBondContact O-N 2.81Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 HydrophobicContact CB-CD1 3.66Å; E87-Y89 HydrophobicContact CB-CE1 3.49Å; E87-Y89 VanDerWaalsContact CB-CE1 3.49Å; E87-Y89 HydrophobicContact CG-CE1 4.37Å; E87-Y89 PolarHBondContact O-N 3.47Å; E87-Y89 WeakPolarHBondContact OE2-CE1 3.02Å; E87-Y89 PolarHBondContact OE2-OH 3.13Å; Y89-T91 HydrophobicContact CD2-CG2 4Å; Y89-T91 HydrophobicContact CE2-CG2 4.16Å
90	S	98.6	Very high	97.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.5	159.3	-176.1	0	0	0	0	110.3	C43 W54 T82	C43-S90 PolarHBondContact N-O 3.24Å; C43-S90 PolarHBondContact O-N 3.19Å; W54-S90 PolarHBondContact NE1-OG 2.02Å; T82-S90 CarbonylContact O-C 3.59Å; T82-S90 WeakPolarHBondContact O-CA 3.09Å; T82-S90 WeakPolarHBondContact O-CB 3.38Å; T82-S90 PolarHBondContact O-OG 2.78Å
91	T	98.7	Very high	97.7	Very high	32 Å²	32	54.5 Å²	54.5	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.4	170.7	56.1	0	0	0	0	110.3	L41 S81 T82 Y89	L41-T91 CarbonylContact O-C 3.58Å; L41-T91 VanDerWaalsContact O-CA 3.27Å; L41-T91 WeakPolarHBondContact O-CA 3.3Å; S81-T91 CarbonylContact C-O 3.55Å; S81-T91 WeakPolarHBondContact CA-O 3.42Å; S81-T91 WeakPolarHBondContact CB-O 3.17Å; S81-T91 PolarHBondContact OG-O 2.72Å; T82-T91 PolarHBondContact N-O 2.81Å; T82-T91 PolarHBondContact O-N 3.06Å; Y89-T91 HydrophobicContact CD2-CG2 4Å; Y89-T91 HydrophobicContact CE2-CG2 4.16Å
92	L	98.8	Very high	97.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.8	167.7	175.3	67.3	0	0	0	107.9	G40 L41 W54 L66 F67 L79 K80 Y105	G40-L92 CarbonylContact C-O 3.58Å; G40-L92 WeakPolarHBondContact CA-O 3.34Å; L41-L92 HydrophobicContact CB-CB 4.43Å; L41-L92 HydrophobicContact CD1-CD2 4.38Å; L41-L92 HydrophobicContact CD1-CG 4.45Å; L41-L92 PolarHBondContact N-O 3.03Å; L41-L92 PolarHBondContact O-N 3.43Å; W54-L92 HydrophobicContact CB-CD2 4.43Å; W54-L92 HydrophobicContact CD2-CB 3.72Å; W54-L92 HydrophobicContact CD2-CD2 3.93Å; W54-L92 HydrophobicContact CD2-CG 4.37Å; W54-L92 HydrophobicContact CE3-CB 3.97Å; W54-L92 HydrophobicContact CE3-CD2 3.65Å; W54-L92 HydrophobicContact CE3-CG 4.45Å; W54-L92 HydrophobicContact CG-CB 4.26Å; W54-L92 HydrophobicContact CG-CD2 4.28Å; W54-L92 HydrophobicContact CH2-CB 4.05Å; W54-L92 HydrophobicContact CZ2-CB 3.82Å; W54-L92 HydrophobicContact CZ3-CB 4.12Å; W54-L92 HydrophobicContact CZ3-CD2 4.18Å; L66-L92 HydrophobicContact CD1-CD2 3.68Å; F67-L92 HydrophobicContact CD2-CD1 3.91Å; F67-L92 HydrophobicContact CE2-CD1 3.74Å; L79-L92 HydrophobicContact CB-CD1 4.49Å; K80-L92 CarbonylContact O-C 3.45Å; K80-L92 WeakPolarHBondContact O-CA 3.09Å; L92-Y105 HydrophobicContact CD2-CD1 3.45Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.45Å; L92-Y105 HydrophobicContact CD2-CE1 3.81Å; L92-Y105 HydrophobicContact CD2-CG 4.48Å
93	H	98.6	Very high	97.5	Very high	49 Å²	49	59 Å²	59	23%	0.227	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.4	-179	-176.7	65.5	0	0	0	109.6	E38 S39 L79 K80	E38-H93 IonicContact OE2-CE1 3.25Å; E38-H93 IonicContact OE2-NE2 2.72Å; S39-H93 WeakPolarHBondContact O-CA 3.11Å; S39-H93 PolarHBondContact O-ND1 3.45Å; L79-H93 CarbonylContact C-O 3.52Å; L79-H93 WeakPolarHBondContact CA-O 3.43Å; K80-H93 HydrophobicContact CB-CB 4.29Å; K80-H93 PolarHBondContact N-O 2.97Å; K80-H93 PolarHBondContact O-N 2.9Å
94	I	98.4	Very high	97.5	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.2	179.5	-51.6	173.8	0	0	0	106.4	E38 S39 L41 L79 A97 Y105	E38-I94 VanDerWaalsContact CA-O 3.3Å; E38-I94 WeakPolarHBondContact CA-O 3.35Å; S39-I94 PolarHBondContact N-O 2.97Å; S39-I94 PolarHBondContact O-N 3.49Å; L41-I94 HydrophobicContact CD1-CD1 3.88Å; L41-I94 HydrophobicContact CD1-CG1 4.3Å; L79-I94 HydrophobicContact CD2-CB 4.11Å; L79-I94 HydrophobicContact CD2-CG1 3.75Å; L79-I94 HydrophobicContact CD2-CG2 3.94Å; I94-A97 HydrophobicContact CG2-CB 4.27Å; I94-Y105 HydrophobicContact CD1-CE1 4.06Å; I94-Y105 HydrophobicContact CD1-CE2 4.2Å; I94-Y105 WeakPolarHBondContact CD1-OH 3.48Å
95	K	98.3	Very high	97.5	Very high	86 Å²	86	62.4 Å²	62.4	37%	0.374	32%	0.316	S	S	.	.			trans	-96.8	152.4	171.9	-63.7	-173.8	174.8	-176.6	0	110.5	E38 R78 A97	E38-K95 HydrophobicContact CG-CB 4.48Å; R78-K95 WeakPolarHBondContact CB-O 3.14Å; R78-K95 PolarHBondContact NH1-O 2.84Å; R78-K95 PolarHBondContact O-N 3.36Å; K95-A97 VanDerWaalsContact C-N 3.3Å; K95-A97 PolarHBondContact O-N 2.95Å
96	D	98.1	Very high	97.6	Very high	82 Å²	82	65.5 Å²	65.5	44%	0.439	33%	0.328	S	S	.	.	S	Bend	trans	45.1	56.5	171.6	-177.9	36.7	0	0	0	111.5	G36 A37 R78 Q98	G36-D96 WeakPolarHBondContact CA-OD1 3.41Å; A37-D96 PolarHBondContact O-N 3.19Å; R78-D96 WeakPolarHBondContact CD-O 3.23Å; R78-D96 PolarHBondContact NH1-O 2.84Å; R78-D96 VanDerWaalsContact NH1-O 3.09Å; D96-Q98 PolarHBondContact O-N 2.77Å; D96-Q98 PolarHBondContact O-NE2 2.86Å; D96-Q98 PolarHBondContact OD1-NE2 2.75Å
97	A	98.1	Very high	97.7	Very high	2 Å²	2	57 Å²	57	2%	0.017	29%	0.292	C	S	.	.			trans	-57.9	137.7	-168.2	0	0	0	0	0	112	L33 E35 G36 A37 I94 K95 D101	L33-A97 HydrophobicContact CD1-CB 3.27Å; E35-A97 CarbonylContact C-O 3.58Å; E35-A97 WeakPolarHBondContact CA-O 3.26Å; E35-A97 WeakPolarHBondContact CG-O 3.5Å; G36-A97 PolarHBondContact N-O 2.96Å; A37-A97 WeakPolarHBondContact O-CB 3.26Å; A37-A97 PolarHBondContact O-N 3.44Å; I94-A97 HydrophobicContact CG2-CB 4.27Å; K95-A97 VanDerWaalsContact C-N 3.3Å; K95-A97 PolarHBondContact O-N 2.95Å; A97-D101 WeakPolarHBondContact CA-OD2 3.32Å
98	Q	97.5	Very high	97.6	Very high	58 Å²	58	53.4 Å²	53.4	27%	0.271	28%	0.282	S	S	.	.			trans	-114.1	162.5	-179.1	-55.6	-66	-61.9	0	0	110.4	R78 D96 E100 D101	R78-Q98 VanDerWaalsContact CZ-CG 3.48Å; D96-Q98 PolarHBondContact O-N 2.77Å; D96-Q98 PolarHBondContact O-NE2 2.86Å; D96-Q98 PolarHBondContact OD1-NE2 2.75Å; Q98-E100 VanDerWaalsContact CB-OE2 3.26Å; Q98-E100 WeakPolarHBondContact CB-OE2 3.42Å; Q98-E100 PolarHBondContact O-N 2.92Å; Q98-D101 PolarHBondContact N-OD2 2.78Å; Q98-D101 WeakPolarHBondContact O-CB 3.44Å; Q98-D101 PolarHBondContact O-N 3.26Å
99	L	95.9	Very high	97.5	Very high	116 Å²	116	49.4 Å²	49.4	61%	0.607	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-57.5	-33.1	179.1	-64.9	180	0	0	0	112.4	D101 S102	L99-D101 PolarHBondContact O-N 2.9Å; L99-S102 VanDerWaalsContact O-CB 3.28Å; L99-S102 WeakPolarHBondContact O-CB 3.36Å; L99-S102 PolarHBondContact O-N 2.84Å; L99-S102 PolarHBondContact O-OG 2.84Å
100	E	95.4	Very high	97.2	Very high	139 Å²	139	53.7 Å²	53.7	65%	0.65	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-68.6	-16.5	178.4	-59.2	73.8	-158.5	0	0	113.8	Q56 Q98 S102	Q56-E100 PolarHBondContact NE2-O 2.87Å; Q56-E100 VanDerWaalsContact NE2-O 3.12Å; Q98-E100 VanDerWaalsContact CB-OE2 3.26Å; Q98-E100 WeakPolarHBondContact CB-OE2 3.42Å; Q98-E100 PolarHBondContact O-N 2.92Å; E100-S102 PolarHBondContact O-N 3.23Å
101	D	96.7	Very high	97.1	Very high	21 Å²	21	56.4 Å²	56.4	11%	0.112	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-72.8	-15.5	175.6	-63.2	-31.9	0	0	0	111.7	Q56 R78 A97 Q98 L99 G103 Y105	Q56-D101 VanDerWaalsContact NE2-C 3.29Å; Q56-D101 PolarHBondContact NE2-O 2.72Å; R78-D101 IonicContact CZ-OD1 3.73Å; R78-D101 IonicContact CZ-OD2 2.69Å; R78-D101 VanDerWaalsContact CZ-OD2 3.25Å; R78-D101 IonicContact NH1-OD1 3.75Å; R78-D101 IonicContact NH1-OD2 2.8Å; R78-D101 PolarHBondContact NH1-OD2 3.17Å; R78-D101 VanDerWaalsContact NH2-CG 3.26Å; R78-D101 IonicContact NH2-OD1 3.94Å; R78-D101 PolarHBondContact NH2-OD1 3.05Å; R78-D101 IonicContact NH2-OD2 3.73Å; R78-D101 PolarHBondContact NH2-OD2 2.94Å; A97-D101 WeakPolarHBondContact CA-OD2 3.32Å; Q98-D101 PolarHBondContact N-OD2 2.78Å; Q98-D101 WeakPolarHBondContact O-CB 3.44Å; Q98-D101 PolarHBondContact O-N 3.26Å; L99-D101 PolarHBondContact O-N 2.9Å; D101-G103 PolarHBondContact O-N 3.02Å; D101-Y105 WeakPolarHBondContact O-CE2 3.4Å; D101-Y105 PolarHBondContact O-OH 2.62Å
102	S	96.7	Very high	97	Very high	84 Å²	84	57.7 Å²	57.7	59%	0.587	31%	0.314	S	S	*	.			trans	-58	122.5	177.6	-58.9	0	0	0	0	111.8	L99 E100	L99-S102 VanDerWaalsContact O-CB 3.28Å; L99-S102 WeakPolarHBondContact O-CB 3.36Å; L99-S102 PolarHBondContact O-N 2.84Å; L99-S102 PolarHBondContact O-OG 2.84Å; E100-S102 PolarHBondContact O-N 3.23Å
103	G	96.7	Very high	96.9	Very high	42 Å²	42	60.9 Å²	60.9	43%	0.433	33%	0.331	S	S	.	.	S	Bend	trans	169.1	-176.6	180	0	0	0	0	0	112.7	Q57 D101	Q57-G103 VanDerWaalsContact O-CA 3.23Å; Q57-G103 WeakPolarHBondContact O-CA 3.45Å; D101-G103 PolarHBondContact O-N 3.02Å
104	T	98	Very high	96.8	Very high	74 Å²	74	61.6 Å²	61.6	45%	0.454	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.5	173.4	-52.9	0	0	0	0	109.5	Q57 F106	Q57-T104 PolarHBondContact N-O 3.21Å; Q57-T104 PolarHBondContact O-N 3.35Å; T104-F106 HydrophobicContact CG2-CD2 4.25Å; T104-F106 HydrophobicContact CG2-CE1 4.03Å; T104-F106 HydrophobicContact CG2-CE2 3.59Å; T104-F106 HydrophobicContact CG2-CZ 3.46Å; T104-F106 VanDerWaalsContact CG2-CZ 3.46Å
105	Y	98.3	Very high	96.7	Very high	26 Å²	26	65.1 Å²	65.1	10%	0.102	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.9	178.7	-73.3	-98.8	0	0	0	110.3	Q26 L41 F55 Q56 L66 L92 I94 D101	Q26-Y105 PolarHBondContact NE2-O 2.84Å; L41-Y105 HydrophobicContact CD2-CD2 4.25Å; L41-Y105 HydrophobicContact CD2-CG 3.91Å; F55-Y105 CarbonylContact O-C 3.6Å; F55-Y105 VanDerWaalsContact O-CA 3.3Å; F55-Y105 WeakPolarHBondContact O-CA 3.25Å; Q56-Y105 HydrophobicContact CB-CD1 4.4Å; Q56-Y105 HydrophobicContact CB-CE1 4.17Å; Q56-Y105 HydrophobicContact CG-CE1 4.1Å; Q56-Y105 HydrophobicContact CG-CE2 4.3Å; L66-Y105 HydrophobicContact CD1-CD1 3.79Å; L66-Y105 HydrophobicContact CD1-CE1 3.65Å; L92-Y105 HydrophobicContact CD2-CD1 3.45Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.45Å; L92-Y105 HydrophobicContact CD2-CE1 3.81Å; L92-Y105 HydrophobicContact CD2-CG 4.48Å; I94-Y105 HydrophobicContact CD1-CE1 4.06Å; I94-Y105 HydrophobicContact CD1-CE2 4.2Å; I94-Y105 WeakPolarHBondContact CD1-OH 3.48Å; D101-Y105 WeakPolarHBondContact O-CE2 3.4Å; D101-Y105 PolarHBondContact O-OH 2.62Å
106	F	98	Very high	96.6	Very high	82 Å²	82	63.7 Å²	63.7	36%	0.36	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.7	178.6	-64.5	-81.6	0	0	0	111	W54 F55 Q57 L63 T104	W54-F106 WeakPolarHBondContact CA-O 3.27Å; F55-F106 HydrophobicContact CB-CB 4.29Å; F55-F106 HydrophobicContact CD2-CB 4.35Å; F55-F106 PolarHBondContact N-O 3.32Å; F55-F106 PolarHBondContact O-N 3.46Å; Q57-F106 HydrophobicContact CB-CD2 4.33Å; Q57-F106 HydrophobicContact CB-CE2 3.83Å; L63-F106 HydrophobicContact CD2-CD2 3.7Å; L63-F106 HydrophobicContact CD2-CE2 4.08Å; T104-F106 HydrophobicContact CG2-CD2 4.25Å; T104-F106 HydrophobicContact CG2-CE1 4.03Å; T104-F106 HydrophobicContact CG2-CE2 3.59Å; T104-F106 HydrophobicContact CG2-CZ 3.46Å; T104-F106 VanDerWaalsContact CG2-CZ 3.46Å
107	C	97.8	Very high	96.5	Very high	10 Å²	10	62.4 Å²	62.4	7%	0.068	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124	171.3	171.2	0	0	0	0	109	Q26 C43 F45 V52 W54	Q26-C107 HydrophobicContact CG-CB 4.03Å; Q26-C107 VanDerWaalsContact OE1-N 3.07Å; C43-C107 HydrophobicContact CB-CB 3.65Å; C43-C107 WeakPolarHBondContact CB-SG 3.05Å; C43-C107 WeakPolarHBondContact SG-CB 3.11Å; C43-C107 CovalentContact SG-SG 2.02Å; C43-C107 PolarHBondContact SG-SG 2.91Å; F45-C107 VanDerWaalsContact CZ-SG 3.57Å; V52-C107 VanDerWaalsContact CG2-SG 3.59Å; W54-C107 HydrophobicContact CD2-CB 4.26Å; W54-C107 HydrophobicContact CE3-CB 4.04Å; W54-C107 HydrophobicContact CH2-CB 3.88Å; W54-C107 HydrophobicContact CZ2-CB 4.07Å; W54-C107 HydrophobicContact CZ3-CB 3.86Å
108	A	96.3	Very high	96.4	Very high	44 Å²	44	67 Å²	67	36%	0.364	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.4	175	0	0	0	0	0	110.2	V52 Q53 F55	V52-A108 CarbonylContact C-O 3.57Å; V52-A108 VanDerWaalsContact CA-O 3.31Å; V52-A108 WeakPolarHBondContact CA-O 3.27Å; V52-A108 WeakPolarHBondContact CG2-O 3.42Å; Q53-A108 PolarHBondContact N-O 3.16Å; Q53-A108 PolarHBondContact O-N 3.4Å; F55-A108 HydrophobicContact CE2-CB 3.95Å
109	V	95.1	Very high	96.3	Very high	36 Å²	36	67.8 Å²	67.8	22%	0.218	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156	-179.7	-74.6	0	0	0	0	112.7	V24 F45 M49 G51 V52	V24-V109 HydrophobicContact CG2-CG2 3.63Å; F45-V109 HydrophobicContact CD1-CB 4.29Å; F45-V109 HydrophobicContact CD1-CG1 3.64Å; F45-V109 HydrophobicContact CD1-CG2 3.72Å; F45-V109 HydrophobicContact CD2-CG1 4.03Å; F45-V109 HydrophobicContact CE1-CB 4.07Å; F45-V109 HydrophobicContact CE1-CG1 3.07Å; F45-V109 HydrophobicContact CE1-CG2 3.84Å; F45-V109 HydrophobicContact CE2-CG1 3.56Å; F45-V109 HydrophobicContact CG-CG1 4.08Å; F45-V109 HydrophobicContact CG-CG2 4.38Å; F45-V109 HydrophobicContact CZ-CB 4.39Å; F45-V109 HydrophobicContact CZ-CG1 3.05Å; M49-V109 HydrophobicContact CB-CB 4.1Å; M49-V109 HydrophobicContact CB-CG1 4.27Å; M49-V109 HydrophobicContact CE-CG2 3.99Å; M49-V109 HydrophobicContact CG-CB 3.71Å; M49-V109 HydrophobicContact CG-CG1 3.98Å; M49-V109 HydrophobicContact CG-CG2 3.98Å; M49-V109 HydrophobicContact SD-CB 4.03Å; M49-V109 HydrophobicContact SD-CG2 3.88Å; G51-V109 WeakPolarHBondContact O-CA 3.22Å; V52-V109 HydrophobicContact CB-CG1 4.02Å; V52-V109 HydrophobicContact CG2-CG1 3.88Å
110	E	90.6	Very high	96.3	Very high	139 Å²	139	63.4 Å²	63.4	65%	0.65	36%	0.363	S	S	*	.			trans	-138.5	0	176.5	62.5	174.3	-172.1	0	0	111.8	M49 K50 G51 Y68	M49-E110 CarbonylContact C-O 3.58Å; M49-E110 WeakPolarHBondContact CA-O 3.44Å; M49-E110 WeakPolarHBondContact CB-O 3.37Å; K50-E110 WeakPolarHBondContact CA-O 3.49Å; K50-E110 PolarHBondContact N-O 2.57Å; G51-E110 PolarHBondContact N-O 2.91Å; G51-E110 PolarHBondContact O-N 3.41Å; Y68-E110 WeakPolarHBondContact CE2-OE1 3.35Å; Y68-E110 PolarHBondContact OH-OE1 3.1Å

Retrieved 110 of 110 residues in 41.3 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).