A0A060VCY0_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCY0, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 206 aa.

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(Predicted Aligned Error values between residue pairs)

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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	39.4	Very low	47	Very low	244 Å²	244	164.1 Å²	164.1	100%	1.202	87%	0.869	S	S	*	*				0	116.4	0	-75.6	166.5	170.3	0	0	107.8
2	R	39.6	Very low	47.6	Very low	253 Å²	253	161.3 Å²	161.3	96%	0.955	85%	0.854	S	S	*	*			trans	-85.8	128.5	176.7	-82.1	177.4	171	171.8	-3	108.3
3	V	41.6	Very low	47.8	Very low	144 Å²	144	162.1 Å²	162.1	87%	0.873	86%	0.857	S	S	*	*			trans	-120	116	167.3	179.8	0	0	0	0	107.6
4	T	40.6	Very low	47.7	Very low	130 Å²	130	167.4 Å²	167.4	80%	0.798	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-81.2	138.3	178.2	37.7	0	0	0	0	111
5	A	48.6	Very low	48.1	Very low	91 Å²	91	160.8 Å²	160.8	75%	0.752	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-65.9	152.9	174.3	0	0	0	0	0	112.7
6	P	49.9	Very low	48.6	Very low	128 Å²	128	157.2 Å²	157.2	83%	0.831	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-82.6	127.3	173	29	-21.8	0	0	0	110.3
7	R	46.6	Very low	48.9	Very low	241 Å²	241	155.3 Å²	155.3	91%	0.909	84%	0.844	S	S	*	*			trans	-79.8	114.7	167.2	-90.5	178.6	159.6	131.6	-5.3	108.9	V9	R7-V9 PolarHBondContact O-N 3.39Å
8	T	50.4	Low	49.1	Very low	147 Å²	147	151.3 Å²	151.3	90%	0.902	84%	0.836	S	S	*	*			trans	-68.1	117.1	166.3	-6	0	0	0	0	108.9
9	V	53.4	Low	48.8	Very low	121 Å²	121	151.6 Å²	151.6	73%	0.733	84%	0.835	S	S	*	*			trans	-87.8	114.2	171.8	175.1	0	0	0	0	107.7	R7	R7-V9 PolarHBondContact O-N 3.39Å
10	L	50.8	Low	48.9	Very low	150 Å²	150	149.5 Å²	149.5	79%	0.785	83%	0.826	S	S	*	*			trans	-87	109.9	173.8	-159.1	82	0	0	0	108.4	L12	L10-L12 PolarHBondContact O-N 3.44Å
11	L	55.8	Low	49	Very low	156 Å²	156	148.4 Å²	148.4	82%	0.817	82%	0.815	S	S	*	*			trans	-82	106.7	172.8	-80.7	158.9	0	0	0	109.2	L13	L11-L13 PolarHBondContact O-N 3.49Å
12	L	54.3	Low	49.7	Very low	131 Å²	131	141.8 Å²	141.8	69%	0.686	79%	0.789	S	S	*	*			trans	-85	104.7	168.8	-73.2	166.4	0	0	0	108.7	L10 W14	L10-L12 PolarHBondContact O-N 3.44Å; L12-W14 PolarHBondContact O-N 3.33Å
13	L	50.4	Low	50.8	Low	171 Å²	171	131.7 Å²	131.7	90%	0.895	75%	0.751	S	S	*	*			trans	-76.3	102	168.7	-73	167.7	0	0	0	108.8	L11 G15	L11-L13 PolarHBondContact O-N 3.49Å; L13-G15 PolarHBondContact O-N 3.25Å
14	W	46.6	Very low	52.1	Low	237 Å²	237	129 Å²	129	90%	0.898	74%	0.743	S	S	*	*			trans	-81.7	98.5	166.3	-79.3	41.1	0	0	0	108	L12 A16	L12-W14 PolarHBondContact O-N 3.33Å; W14-A16 PolarHBondContact O-N 3.23Å
15	G	53.3	Low	54.2	Low	68 Å²	68	124.3 Å²	124.3	70%	0.701	72%	0.721	S	S	*	*			trans	-69.6	115.2	169.3	0	0	0	0	0	109.6	L13 V17	L13-G15 PolarHBondContact O-N 3.25Å; G15-V17 PolarHBondContact O-N 2.65Å
16	A	56.7	Low	56.3	Low	103 Å²	103	123.4 Å²	123.4	85%	0.851	71%	0.709	S	S	*	*			trans	-68.3	98.1	167.6	0	0	0	0	0	108.5	W14 A18	W14-A16 PolarHBondContact O-N 3.23Å; A16-A18 PolarHBondContact O-N 3.07Å; A16-A18 VanDerWaalsContact O-N 3.15Å
17	V	53.9	Low	58.5	Low	125 Å²	125	118 Å²	118	76%	0.758	67%	0.672	S	S	*	*			trans	-72.9	101.6	162.4	-179.7	0	0	0	0	105.8	G15 L19	G15-V17 PolarHBondContact O-N 2.65Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 2.81Å
18	A	52.3	Low	60.9	Low	84 Å²	84	107.1 Å²	107.1	69%	0.694	63%	0.633	S	S	*	*			trans	-64.9	100.8	161.7	0	0	0	0	0	106.6	A16 T20	A16-A18 PolarHBondContact O-N 3.07Å; A16-A18 VanDerWaalsContact O-N 3.15Å; A18-T20 VanDerWaalsContact C-N 3.25Å; A18-T20 PolarHBondContact O-N 2.86Å
19	L	42.4	Very low	63.2	Low	157 Å²	157	100.1 Å²	100.1	82%	0.822	59%	0.59	S	S	*	*			trans	-59.5	97.9	162.5	-88.8	141.4	0	0	0	105.8	V17 E21	V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 2.81Å; L19-E21 PolarHBondContact O-N 3.12Å; L19-E21 VanDerWaalsContact O-N 3.17Å
20	T	51.1	Low	65.4	Low	108 Å²	108	97.4 Å²	97.4	66%	0.663	57%	0.567	S	S	*	*			trans	-62.4	116.3	159.4	41.8	0	0	0	0	104.9	A18 T22	A18-T20 VanDerWaalsContact C-N 3.25Å; A18-T20 PolarHBondContact O-N 2.86Å; T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 2.99Å
21	E	51.7	Low	67.7	Low	128 Å²	128	90.7 Å²	90.7	60%	0.598	53%	0.531	S	S	*	.			trans	-59.4	99.2	169.5	-78.1	-171.5	138.8	0	0	107	L19 K200	L19-E21 PolarHBondContact O-N 3.12Å; L19-E21 VanDerWaalsContact O-N 3.17Å; E21-K200 IonicContact OE1-NZ 2.61Å; E21-K200 PolarHBondContact OE1-NZ 3.39Å
22	T	52.9	Low	69.7	Low	105 Å²	105	87 Å²	87	64%	0.644	51%	0.509	S	S	*	.			trans	-90.1	113.1	174	40.6	0	0	0	0	105.3	T20 A24	T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 2.99Å; T22-A24 PolarHBondContact O-N 3.15Å; T22-A24 VanDerWaalsContact O-N 3.12Å
23	W	64.6	Low	71.9	Confident	41 Å²	41	81 Å²	81	16%	0.155	48%	0.477	C	S	.	.			trans	-59	116.7	167.9	-53.6	88.4	0	0	0	105.9	G25 L196 E197	W23-G25 VanDerWaalsContact C-N 3.32Å; W23-G25 PolarHBondContact O-N 3.03Å; W23-L196 HydrophobicContact CD2-CD1 4.43Å; W23-L196 HydrophobicContact CE3-CB 3.62Å; W23-L196 HydrophobicContact CE3-CD1 4.05Å; W23-L196 HydrophobicContact CE3-CG 4.39Å; W23-L196 HydrophobicContact CH2-CB 3.83Å; W23-L196 VanDerWaalsContact CZ3-C 3.48Å; W23-L196 HydrophobicContact CZ3-CB 3.17Å; W23-L196 HydrophobicContact CZ3-CD1 4.39Å; W23-L196 HydrophobicContact CZ3-CG 4.36Å; W23-E197 HydrophobicContact CH2-CB 4.02Å
24	A	68.6	Low	74.2	Confident	86 Å²	86	74.2 Å²	74.2	71%	0.711	44%	0.443	S	S	*	.	S	Bend	trans	-72.9	90.4	-174.9	0	0	0	0	0	109.2	T22	T22-A24 PolarHBondContact O-N 3.15Å; T22-A24 VanDerWaalsContact O-N 3.12Å
25	G	83.8	Confident	76.6	Confident	32 Å²	32	63 Å²	63	33%	0.33	40%	0.401	S	S	.	.	S	Bend	trans	109.4	-179.2	176.9	0	0	0	0	0	114.2	W23 P129	W23-G25 VanDerWaalsContact C-N 3.32Å; W23-G25 PolarHBondContact O-N 3.03Å; G25-P129 WeakPolarHBondContact O-CA 3.48Å
26	S	93	Very high	78.8	Confident	72 Å²	72	62 Å²	62	50%	0.503	38%	0.378	S	S	.	.			trans	-84.5	143.2	174.5	-60.4	0	0	0	0	109.9	L127	S26-L127 CarbonylContact C-O 3.57Å; S26-L127 WeakPolarHBondContact CA-O 3.49Å; S26-L127 VanDerWaalsContact CB-O 3.26Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å
27	H	96.1	Very high	80.7	Confident	14 Å²	14	58 Å²	58	7%	0.065	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	162.3	179	-67.7	-76.9	0	0	0	110.8	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 3.42Å; H27-D53 IonicContact CG-OD2 3.25Å; H27-D53 IonicContact ND1-OD1 3.41Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 3.4Å; H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.48Å; H27-L127 PolarHBondContact N-O 3.33Å; H27-L127 PolarHBondContact O-N 2.87Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.63Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.47Å
28	S	98.1	Very high	82.7	Confident	13 Å²	13	55.4 Å²	55.4	9%	0.091	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.9	-177.9	63.5	0	0	0	0	113.1	R30 V52 D53 C125 D126	S28-R30 PolarHBondContact OG-NH1 2.81Å; S28-V52 CarbonylContact O-C 3.6Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; S28-D53 PolarHBondContact N-OD1 3.17Å; S28-D53 PolarHBondContact O-N 3.43Å; S28-D53 PolarHBondContact OG-OD1 2.84Å; S28-C125 WeakPolarHBondContact CA-O 3.25Å; S28-D126 WeakPolarHBondContact CB-OD1 3.09Å
29	M	98.6	Very high	84.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.2	170.2	-177.4	174.1	58.3	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.12Å; M29-Y31 HydrophobicContact CG-CE2 3.95Å; M29-Y31 HydrophobicContact SD-CE2 3.79Å; M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 VanDerWaalsContact CA-O 3.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.47Å; M29-F57 HydrophobicContact CG-CE1 4.5Å; M29-F57 HydrophobicContact SD-CZ 4.45Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; M29-C125 PolarHBondContact N-O 2.81Å; M29-C125 PolarHBondContact O-N 3.2Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 WeakPolarHBondContact CE-SG 3.48Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.32Å; M29-L192 HydrophobicContact CB-CB 4.1Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.42Å; M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.7	Very high	86.7	Confident	64 Å²	64	50.7 Å²	50.7	24%	0.242	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.4	179.8	-67.6	-177	175.5	73.5	14.1	111.2	S28 F32 G50 Y51 M122 D126	S28-R30 PolarHBondContact OG-NH1 2.81Å; R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 4.05Å; R30-G50 CarbonylContact O-C 3.4Å; R30-G50 WeakPolarHBondContact O-CA 3.34Å; R30-Y51 PolarHBondContact N-O 3.26Å; R30-Y51 PolarHBondContact O-N 2.88Å; R30-M122 HydrophobicContact CG-SD 4.37Å; R30-D126 IonicContact CZ-OD1 2.64Å; R30-D126 IonicContact NH1-OD1 3.53Å; R30-D126 IonicContact NH2-OD1 3.78Å; R30-D126 PolarHBondContact NH2-OD1 3.2Å; R30-D126 IonicContact NH2-OD2 2.79Å; R30-D126 PolarHBondContact NH2-OD2 2.61Å
31	Y	98.8	Very high	88.4	Confident	9 Å²	9	55.7 Å²	55.7	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.9	167.8	-66.9	-91.3	0	0	0	109.6	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.12Å; M29-Y31 HydrophobicContact CG-CE2 3.95Å; M29-Y31 HydrophobicContact SD-CE2 3.79Å; Y31-V49 CarbonylContact C-O 3.51Å; Y31-V49 VanDerWaalsContact CA-O 3.28Å; Y31-V49 WeakPolarHBondContact CA-O 3.2Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.38Å; Y31-V58 HydrophobicContact CE1-CG2 4.01Å; Y31-M122 WeakPolarHBondContact O-CA 3.42Å; Y31-Y123 HydrophobicContact CD2-CE1 4.42Å; Y31-Y123 AromaticContact CD2-CE2 3.87Å; Y31-Y123 HydrophobicContact CD2-CE2 3.87Å; Y31-Y123 AromaticContact CD2-CZ 3.73Å; Y31-Y123 HydrophobicContact CG-CE1 4.11Å; Y31-Y123 HydrophobicContact CG-CE2 4.36Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 3.26Å; Y31-Y123 PolarHBondContact O-N 3.13Å
32	F	98.8	Very high	90.2	Very high	78 Å²	78	52.6 Å²	52.6	34%	0.342	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.2	175.7	-58.5	-96.8	0	0	0	109	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 4.05Å; F32-A48 WeakPolarHBondContact O-CA 3.41Å; F32-V49 HydrophobicContact CB-CG2 3.77Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.46Å; F32-V49 PolarHBondContact N-O 2.93Å; F32-V49 PolarHBondContact O-N 2.91Å; F32-Y51 AromaticContact CD2-CD2 3.99Å; F32-Y51 HydrophobicContact CD2-CD2 3.99Å; F32-Y51 HydrophobicContact CD2-CE2 4.34Å; F32-Y51 AromaticContact CE2-CD2 3.98Å; F32-Y51 HydrophobicContact CE2-CD2 3.98Å; F32-R121 CarbonylContact C-O 3.55Å; F32-R121 WeakPolarHBondContact CA-O 3.2Å; F32-M122 HydrophobicContact CD1-CB 3.88Å; F32-M122 HydrophobicContact CD1-CG 3.72Å; F32-M122 HydrophobicContact CE1-CB 3.9Å; F32-M122 HydrophobicContact CE1-CG 3.31Å; F32-M122 HydrophobicContact CZ-CG 3.83Å
33	Y	98.8	Very high	92.1	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.02	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138	173.9	-62.4	-7.6	0	0	0	109	F46 I47 A48 F91 Y98 Q120 R121 Y123	Y33-F46 HydrophobicContact CD1-CZ 4.17Å; Y33-F46 HydrophobicContact CD2-CE2 4.18Å; Y33-F46 AromaticContact CD2-CZ 3.86Å; Y33-F46 HydrophobicContact CD2-CZ 3.86Å; Y33-F46 HydrophobicContact CE2-CZ 4.35Å; Y33-F46 HydrophobicContact CG-CE2 4.08Å; Y33-F46 AromaticContact CG-CZ 3.76Å; Y33-F46 HydrophobicContact CG-CZ 3.76Å; Y33-I47 CarbonylContact C-O 3.5Å; Y33-I47 WeakPolarHBondContact CA-O 3.47Å; Y33-A48 HydrophobicContact CD1-CB 3.43Å; Y33-A48 VanDerWaalsContact CD1-CB 3.43Å; Y33-A48 HydrophobicContact CE1-CB 3.51Å; Y33-A48 HydrophobicContact CG-CB 4.42Å; Y33-F91 HydrophobicContact CE1-CD1 4.11Å; Y33-F91 AromaticContact CE1-CE1 3.57Å; Y33-F91 HydrophobicContact CE1-CE1 3.57Å; Y33-F91 AromaticContact CZ-CE1 3.7Å; Y33-F91 VanDerWaalsContact OH-CE1 3.26Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.46Å; Y33-Y98 AromaticContact CD2-CE2 3.86Å; Y33-Y98 HydrophobicContact CD2-CE2 3.86Å; Y33-Y98 AromaticContact CD2-CZ 3.93Å; Y33-Q120 CarbonylContact O-C 3.57Å; Y33-Q120 VanDerWaalsContact O-CA 3.23Å; Y33-Q120 WeakPolarHBondContact O-CA 3.49Å; Y33-R121 PolarHBondContact N-O 3.29Å; Y33-R121 PolarHBondContact O-N 3.5Å; Y33-Y123 HydrophobicContact CD1-CE1 4.41Å; Y33-Y123 HydrophobicContact CD2-CE1 4.29Å; Y33-Y123 AromaticContact CE1-CE1 3.85Å; Y33-Y123 HydrophobicContact CE1-CE1 3.85Å; Y33-Y123 AromaticContact CE2-CE1 3.72Å; Y33-Y123 HydrophobicContact CE2-CE1 3.72Å; Y33-Y123 AromaticContact CZ-CE1 3.48Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.48Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 2.9Å
34	T	98.8	Very high	93.6	Very high	30 Å²	30	50.8 Å²	50.8	18%	0.184	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124	175.4	-60.8	0	0	0	0	108.4	M36 F46 I47 I118 Q120	T34-M36 HydrophobicContact CG2-CE 4.03Å; T34-M36 HydrophobicContact CG2-CG 4.08Å; T34-M36 HydrophobicContact CG2-SD 4.27Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; T34-I47 PolarHBondContact N-O 2.96Å; T34-I47 PolarHBondContact O-N 3.13Å; T34-I118 HydrophobicContact CG2-CG2 3.86Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å
35	A	98.6	Very high	95	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.5	171	0	0	0	0	0	110.6	R45 F46 Y98 L102 I118 I119	A35-R45 CarbonylContact C-O 3.51Å; A35-R45 VanDerWaalsContact CA-O 3.24Å; A35-R45 WeakPolarHBondContact CA-O 3.26Å; A35-F46 HydrophobicContact CB-CD2 4.15Å; A35-Y98 HydrophobicContact CB-CD1 3.63Å; A35-Y98 HydrophobicContact CB-CG 4.02Å; A35-L102 HydrophobicContact CB-CD1 4Å; A35-I118 WeakPolarHBondContact O-CA 3.24Å; A35-I119 HydrophobicContact CB-CG2 3.72Å; A35-I119 PolarHBondContact N-O 3.14Å; A35-I119 PolarHBondContact O-N 2.9Å
36	M	98.3	Very high	95.7	Very high	47 Å²	47	49 Å²	49	23%	0.232	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.7	-175.8	-64.4	156.6	-79.6	0	0	109.5	T34 P44 R45 I47 H117 I118	T34-M36 HydrophobicContact CG2-CE 4.03Å; T34-M36 HydrophobicContact CG2-CG 4.08Å; T34-M36 HydrophobicContact CG2-SD 4.27Å; M36-P44 CarbonylContact O-C 3.6Å; M36-P44 WeakPolarHBondContact O-CA 3.24Å; M36-P44 WeakPolarHBondContact O-CB 3.4Å; M36-R45 HydrophobicContact CE-CB 4.07Å; M36-R45 HydrophobicContact CE-CG 4.06Å; M36-R45 PolarHBondContact N-O 3.22Å; M36-R45 PolarHBondContact O-N 3.17Å; M36-I47 HydrophobicContact CE-CD1 3.82Å; M36-I47 HydrophobicContact CE-CG1 4.25Å; M36-H117 WeakPolarHBondContact CA-O 3.19Å; M36-I118 HydrophobicContact CB-CG1 4.5Å; M36-I118 HydrophobicContact CG-CB 4.48Å; M36-I118 HydrophobicContact CG-CD1 4.06Å; M36-I118 HydrophobicContact CG-CG1 3.91Å; M36-I118 HydrophobicContact CG-CG2 4.01Å
37	S	97.2	Very high	96	Very high	18 Å²	18	46.8 Å²	46.8	13%	0.126	25%	0.253	C	S	.	.			trans	-71.4	145.8	174.1	77.2	0	0	0	0	110.8	S116 H117	S37-S116 PolarHBondContact O-OG 3.42Å; S37-S116 WeakPolarHBondContact OG-CA 3.16Å; S37-H117 PolarHBondContact N-O 2.98Å; S37-H117 PolarHBondContact OG-N 3.19Å; S37-H117 PolarHBondContact OG-O 3.26Å
38	R	94.9	Very high	96.1	Very high	71 Å²	71	46.1 Å²	46.1	27%	0.268	25%	0.25	S	S	.	.			trans	-130.9	72.9	-174.7	-69.8	-172.1	-74.9	-165.2	-11.7	111.2	G40 R41 E43 R45 D63	R38-G40 PolarHBondContact O-N 2.88Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 PolarHBondContact O-N 3.38Å; R38-E43 PolarHBondContact NE-O 3.1Å; R38-E43 PolarHBondContact NH2-O 3.05Å; R38-R45 VanDerWaalsContact NH2-CA 3.34Å; R38-D63 IonicContact CZ-OD1 3.6Å; R38-D63 IonicContact CZ-OD2 3.11Å; R38-D63 VanDerWaalsContact NH1-CG 3.35Å; R38-D63 IonicContact NH1-OD1 3.4Å; R38-D63 PolarHBondContact NH1-OD1 3.22Å; R38-D63 IonicContact NH1-OD2 2.74Å; R38-D63 PolarHBondContact NH1-OD2 2.74Å; R38-D63 IonicContact NH2-OD1 2.68Å; R38-D63 PolarHBondContact NH2-OD1 3.4Å; R38-D63 IonicContact NH2-OD2 2.66Å
39	P	90.4	Very high	96.1	Very high	50 Å²	50	46.6 Å²	46.6	33%	0.325	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	126.5	-179.2	-25.3	33.6	0	0	0	111.7	R41 G115	P39-R41 PolarHBondContact O-N 2.81Å; P39-G115 WeakPolarHBondContact CG-O 3.35Å
40	G	88.3	Confident	96.1	Very high	93 Å²	93	46.6 Å²	46.6	96%	0.959	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	4.8	-179.5	0	0	0	0	0	116.1	R38	R38-G40 PolarHBondContact O-N 2.88Å
41	R	88.4	Confident	96.1	Very high	213 Å²	213	46.8 Å²	46.8	80%	0.804	25%	0.254	S	S	*	.	S	Bend	trans	-125.5	22.7	-177.9	-59.1	-177.3	-178.1	-162.4	0.3	113.3	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 PolarHBondContact O-N 3.38Å; P39-R41 PolarHBondContact O-N 2.81Å
42	G	88.6	Confident	96.1	Very high	62 Å²	62	46.4 Å²	46.4	64%	0.639	25%	0.252	S	S	*	.	S	Bend	trans	94.1	-153	175.5	0	0	0	0	0	114
43	E	93	Very high	96	Very high	88 Å²	88	44.4 Å²	44.4	41%	0.411	25%	0.245	S	C	.	.	S	Bend	trans	-70.8	152.9	-174.5	-68.1	-67	179.6	0	0	112.5	R38 R99	R38-E43 PolarHBondContact NE-O 3.1Å; R38-E43 PolarHBondContact NH2-O 3.05Å; E43-R99 VanDerWaalsContact CG-NH2 3.3Å; E43-R99 IonicContact OE1-CZ 3.98Å; E43-R99 IonicContact OE1-NE 3.28Å; E43-R99 IonicContact OE1-NH1 3.13Å; E43-R99 PolarHBondContact OE1-NH1 2.74Å; E43-R99 IonicContact OE1-NH2 3.09Å; E43-R99 VanDerWaalsContact OE2-CD 3.22Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 2.87Å; E43-R99 IonicContact OE2-NE 3.2Å; E43-R99 PolarHBondContact OE2-NE 2.85Å; E43-R99 IonicContact OE2-NH1 3.65Å; E43-R99 IonicContact OE2-NH2 3.39Å; E43-R99 PolarHBondContact OE2-NH2 2.79Å
44	P	95.4	Very high	95.8	Very high	20 Å²	20	51.6 Å²	51.6	13%	0.13	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-55.1	143.1	173	-25.7	35.6	0	0	0	112.1	M36 R99 L102	M36-P44 CarbonylContact O-C 3.6Å; M36-P44 WeakPolarHBondContact O-CA 3.24Å; M36-P44 WeakPolarHBondContact O-CB 3.4Å; P44-R99 HydrophobicContact CG-CB 4.31Å; P44-R99 HydrophobicContact CG-CG 4.13Å; P44-L102 HydrophobicContact CB-CD1 3.63Å; P44-L102 HydrophobicContact CG-CD1 3.83Å
45	R	97.9	Very high	95.7	Very high	80 Å²	80	52.9 Å²	52.9	30%	0.302	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.5	171.4	-175.3	177.9	-175.3	179.2	-2.2	108.6	A35 M36 R38 I47 D61 D63	A35-R45 CarbonylContact C-O 3.51Å; A35-R45 VanDerWaalsContact CA-O 3.24Å; A35-R45 WeakPolarHBondContact CA-O 3.26Å; M36-R45 HydrophobicContact CE-CB 4.07Å; M36-R45 HydrophobicContact CE-CG 4.06Å; M36-R45 PolarHBondContact N-O 3.22Å; M36-R45 PolarHBondContact O-N 3.17Å; R38-R45 VanDerWaalsContact NH2-CA 3.34Å; R45-I47 HydrophobicContact CG-CG1 4.27Å; R45-D61 IonicContact CZ-OD1 3.6Å; R45-D61 IonicContact CZ-OD2 3.61Å; R45-D61 IonicContact NE-OD1 2.71Å; R45-D61 PolarHBondContact NE-OD1 2.93Å; R45-D61 IonicContact NE-OD2 3.34Å; R45-D61 IonicContact NH2-OD1 3.71Å; R45-D61 PolarHBondContact NH2-OD1 3.26Å; R45-D61 IonicContact NH2-OD2 2.84Å; R45-D61 PolarHBondContact NH2-OD2 3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.24Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 WeakPolarHBondContact CG-OD2 3.32Å; R45-D63 IonicContact NE-OD2 2.74Å
46	F	98.7	Very high	95.7	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.3	174	178.8	-96.6	0	0	0	110.1	Y33 T34 A35 A48 F60 S62 F91 N94 T95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.17Å; Y33-F46 HydrophobicContact CD2-CE2 4.18Å; Y33-F46 AromaticContact CD2-CZ 3.86Å; Y33-F46 HydrophobicContact CD2-CZ 3.86Å; Y33-F46 HydrophobicContact CE2-CZ 4.35Å; Y33-F46 HydrophobicContact CG-CE2 4.08Å; Y33-F46 AromaticContact CG-CZ 3.76Å; Y33-F46 HydrophobicContact CG-CZ 3.76Å; T34-F46 WeakPolarHBondContact O-CA 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.15Å; F46-A48 HydrophobicContact CE1-CB 3.86Å; F46-A48 HydrophobicContact CZ-CB 4.13Å; F46-F60 AromaticContact CD1-CD1 3.88Å; F46-F60 HydrophobicContact CD1-CD1 3.88Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.17Å; F46-F60 HydrophobicContact CE1-CE1 4.49Å; F46-S62 PolarHBondContact N-OG 3.03Å; F46-S62 PolarHBondContact O-N 3.48Å; F46-S62 PolarHBondContact O-OG 3.28Å; F46-F91 HydrophobicContact CE1-CB 4.22Å; F46-F91 HydrophobicContact CE1-CD1 4.36Å; F46-N94 HydrophobicContact CE1-CB 4.16Å; F46-N94 HydrophobicContact CE2-CB 4.16Å; F46-N94 HydrophobicContact CZ-CB 3.69Å; F46-T95 HydrophobicContact CB-CG2 3.95Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.49Å; F46-Y98 HydrophobicContact CD2-CD1 4.46Å; F46-Y98 HydrophobicContact CD2-CD2 4.2Å; F46-Y98 AromaticContact CD2-CG 3.97Å; F46-Y98 HydrophobicContact CD2-CG 3.97Å; F46-Y98 HydrophobicContact CE2-CD1 4.29Å; F46-Y98 AromaticContact CE2-CD2 3.65Å; F46-Y98 HydrophobicContact CE2-CD2 3.65Å; F46-Y98 AromaticContact CE2-CE2 3.95Å; F46-Y98 HydrophobicContact CE2-CE2 3.95Å; F46-Y98 AromaticContact CE2-CG 3.83Å; F46-Y98 HydrophobicContact CE2-CG 3.83Å
47	I	98.8	Very high	95.7	Very high	25 Å²	25	53 Å²	53	13%	0.128	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.3	175.1	-58.5	174.1	0	0	0	107.6	Y33 T34 M36 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.5Å; Y33-I47 WeakPolarHBondContact CA-O 3.47Å; T34-I47 PolarHBondContact N-O 2.96Å; T34-I47 PolarHBondContact O-N 3.13Å; M36-I47 HydrophobicContact CE-CD1 3.82Å; M36-I47 HydrophobicContact CE-CG1 4.25Å; R45-I47 HydrophobicContact CG-CG1 4.27Å; I47-V49 HydrophobicContact CG2-CG1 4.25Å; I47-F60 WeakPolarHBondContact CA-O 3.21Å
48	A	98.8	Very high	95.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.5	168.2	0	0	0	0	0	109.6	F32 Y33 F46 R59 F60 F91	F32-A48 WeakPolarHBondContact O-CA 3.41Å; Y33-A48 HydrophobicContact CD1-CB 3.43Å; Y33-A48 VanDerWaalsContact CD1-CB 3.43Å; Y33-A48 HydrophobicContact CE1-CB 3.51Å; Y33-A48 HydrophobicContact CG-CB 4.42Å; F46-A48 HydrophobicContact CE1-CB 3.86Å; F46-A48 HydrophobicContact CZ-CB 4.13Å; A48-R59 CarbonylContact O-C 3.51Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.36Å; A48-F60 HydrophobicContact CB-CB 4.28Å; A48-F60 PolarHBondContact N-O 3.37Å; A48-F60 PolarHBondContact O-N 3.41Å; A48-F91 HydrophobicContact CB-CD1 3.62Å; A48-F91 HydrophobicContact CB-CE1 3.54Å; A48-F91 HydrophobicContact CB-CE2 4.5Å; A48-F91 HydrophobicContact CB-CG 4.16Å; A48-F91 HydrophobicContact CB-CZ 4.02Å
49	V	98.9	Very high	95.9	Very high	22 Å²	22	52 Å²	52	13%	0.133	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.8	171.8	-63.2	0	0	0	0	109.6	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.51Å; Y31-V49 VanDerWaalsContact CA-O 3.28Å; Y31-V49 WeakPolarHBondContact CA-O 3.2Å; F32-V49 HydrophobicContact CB-CG2 3.77Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.46Å; F32-V49 PolarHBondContact N-O 2.93Å; F32-V49 PolarHBondContact O-N 2.91Å; I47-V49 HydrophobicContact CG2-CG1 4.25Å; V49-Y51 HydrophobicContact CB-CE2 4.19Å; V49-Y51 HydrophobicContact CG2-CD2 4.44Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; V49-V58 WeakPolarHBondContact CA-O 3.47Å; V49-R59 HydrophobicContact CG1-CB 4.42Å; V49-R59 HydrophobicContact CG1-CG 4.1Å
50	G	98.8	Very high	96.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.8	177.3	0	0	0	0	0	110.7	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.4Å; R30-G50 WeakPolarHBondContact O-CA 3.34Å; G50-Q56 CarbonylContact O-C 3.45Å; G50-Q56 WeakPolarHBondContact O-CA 3.37Å; G50-Q56 WeakPolarHBondContact O-CG 3.23Å; G50-F57 WeakPolarHBondContact O-CD1 3.04Å; G50-F57 PolarHBondContact O-N 3.1Å; G50-V58 PolarHBondContact N-O 3.21Å; G50-V58 PolarHBondContact O-N 3.33Å
51	Y	98.8	Very high	96.8	Very high	69 Å²	69	46.2 Å²	46.2	27%	0.271	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139	177.6	-73	-99.9	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 VanDerWaalsContact CA-O 3.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.48Å; R30-Y51 PolarHBondContact N-O 3.26Å; R30-Y51 PolarHBondContact O-N 2.88Å; F32-Y51 AromaticContact CD2-CD2 3.99Å; F32-Y51 HydrophobicContact CD2-CD2 3.99Å; F32-Y51 HydrophobicContact CD2-CE2 4.34Å; F32-Y51 AromaticContact CE2-CD2 3.98Å; F32-Y51 HydrophobicContact CE2-CD2 3.98Å; V49-Y51 HydrophobicContact CB-CE2 4.19Å; V49-Y51 HydrophobicContact CG2-CD2 4.44Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.25Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.27Å; Y51-Q56 HydrophobicContact CE2-CG 4.04Å
52	V	98.4	Very high	97.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.9	158.3	174.4	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.47Å; V52-D54 PolarHBondContact O-N 2.9Å; V52-T55 PolarHBondContact N-O 2.87Å; V52-T55 PolarHBondContact O-N 3.24Å; V52-F57 HydrophobicContact CG2-CD1 3.86Å; V52-F57 HydrophobicContact CG2-CE1 3.92Å; V52-F57 HydrophobicContact CG2-CG 4.47Å; V52-W75 HydrophobicContact CB-CH2 4.27Å; V52-W75 HydrophobicContact CB-CZ2 4.32Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.75Å; V52-L192 HydrophobicContact CG2-CD1 4.37Å; V52-Y195 HydrophobicContact CG2-CD2 3.78Å; V52-Y195 HydrophobicContact CG2-CG 4.27Å; V52-L196 HydrophobicContact CG1-CD2 3.88Å; V52-L196 HydrophobicContact CG1-CG 4.42Å; V52-L203 HydrophobicContact CB-CD1 4.46Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å
53	D	95.9	Very high	97.7	Very high	36 Å²	36	37.6 Å²	37.6	19%	0.193	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-123.8	-164	-57.5	-36.1	0	0	0	109.9	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 3.42Å; H27-D53 IonicContact CG-OD2 3.25Å; H27-D53 IonicContact ND1-OD1 3.41Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 3.4Å; S28-D53 PolarHBondContact N-OD1 3.17Å; S28-D53 PolarHBondContact O-N 3.43Å; S28-D53 PolarHBondContact OG-OD1 2.84Å
54	D	94.5	Very high	97.8	Very high	157 Å²	157	35.1 Å²	35.1	84%	0.84	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	6	178.9	-61.7	-51.9	0	0	0	113.4	V52	V52-D54 PolarHBondContact O-N 2.9Å
55	T	97	Very high	97.9	Very high	57 Å²	57	39.8 Å²	39.8	35%	0.35	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	115.6	-177	-58.9	0	0	0	0	111.3	Y51 V52 F57 A73 L203	Y51-T55 WeakPolarHBondContact CA-O 3.25Å; V52-T55 PolarHBondContact N-O 2.87Å; V52-T55 PolarHBondContact O-N 3.24Å; T55-F57 PolarHBondContact O-N 3.01Å; T55-A73 HydrophobicContact CG2-CB 4.2Å; T55-L203 HydrophobicContact CG2-CD2 4.25Å
56	Q	98.3	Very high	97.8	Very high	51 Å²	51	39.7 Å²	39.7	24%	0.238	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.5	172	-166.9	-177.3	-5.2	0	0	110	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; G50-Q56 CarbonylContact O-C 3.45Å; G50-Q56 WeakPolarHBondContact O-CA 3.37Å; G50-Q56 WeakPolarHBondContact O-CG 3.23Å; Y51-Q56 HydrophobicContact CD1-CB 4Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.27Å; Y51-Q56 HydrophobicContact CE2-CG 4.04Å; Q56-V58 PolarHBondContact NE2-O 2.8Å; Q56-R72 HydrophobicContact CB-CB 4.38Å; Q56-R72 HydrophobicContact CG-CB 4.06Å; Q56-R72 HydrophobicContact CG-CG 4.23Å; Q56-R72 CarbonylContact O-C 3.59Å; Q56-R72 WeakPolarHBondContact O-CB 3.33Å
57	F	98.4	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-23.3	-178.5	76.1	-82.3	0	0	0	113.7	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.5Å; M29-F57 HydrophobicContact SD-CZ 4.45Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.38Å; G50-F57 WeakPolarHBondContact O-CD1 3.04Å; G50-F57 PolarHBondContact O-N 3.1Å; V52-F57 HydrophobicContact CG2-CD1 3.86Å; V52-F57 HydrophobicContact CG2-CE1 3.92Å; V52-F57 HydrophobicContact CG2-CG 4.47Å; T55-F57 PolarHBondContact O-N 3.01Å; F57-R72 PolarHBondContact O-N 3.13Å; F57-A73 HydrophobicContact CB-CB 4.36Å; F57-W75 HydrophobicContact CB-CH2 3.24Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4.16Å; F57-W75 HydrophobicContact CD1-CH2 4.25Å; F57-W75 AromaticContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CZ3 4.3Å; F57-W75 AromaticContact CG-CH2 3.56Å; F57-W75 HydrophobicContact CG-CH2 3.56Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.4Å; F57-I76 HydrophobicContact CD2-CB 4.45Å; F57-I76 HydrophobicContact CD2-CD1 3.87Å; F57-I76 HydrophobicContact CD2-CG1 3.96Å; F57-I76 HydrophobicContact CE2-CD1 4.3Å; F57-I76 VanDerWaalsContact O-CG2 3.25Å; F57-I76 WeakPolarHBondContact O-CG2 3.17Å; F57-Y195 HydrophobicContact CD2-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.14Å; F57-Y195 HydrophobicContact CE2-CE1 4.5Å; F57-Y195 AromaticContact CE2-CE2 3.56Å; F57-Y195 HydrophobicContact CE2-CE2 3.56Å; F57-Y195 AromaticContact CE2-CZ 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.15Å; F57-Y195 AromaticContact CZ-CE2 3.62Å; F57-Y195 HydrophobicContact CZ-CE2 3.62Å
58	V	98.5	Very high	97.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.7	176.7	-72.2	0	0	0	0	113.1	Y31 V49 G50 Q56 T69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 4.01Å; V49-V58 WeakPolarHBondContact CA-O 3.47Å; G50-V58 PolarHBondContact N-O 3.21Å; G50-V58 PolarHBondContact O-N 3.33Å; Q56-V58 PolarHBondContact NE2-O 2.8Å; V58-T69 HydrophobicContact CB-CG2 4.07Å; V58-T69 HydrophobicContact CG1-CG2 4.09Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; V58-I76 HydrophobicContact CG1-CG1 4.43Å; V58-W84 HydrophobicContact CG1-CH2 4.15Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å
59	R	98.8	Very high	97.7	Very high	64 Å²	64	47.5 Å²	47.5	24%	0.242	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.1	169.9	-177.1	173.7	172.1	86.2	6.2	111.2	A48 V49 D61 T69 E70 R72	A48-R59 CarbonylContact O-C 3.51Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.36Å; V49-R59 HydrophobicContact CG1-CB 4.42Å; V49-R59 HydrophobicContact CG1-CG 4.1Å; R59-D61 IonicContact CZ-OD2 3.76Å; R59-D61 IonicContact NH2-OD2 2.61Å; R59-D61 PolarHBondContact NH2-OD2 2.61Å; R59-T69 WeakPolarHBondContact O-CA 3.05Å; R59-E70 PolarHBondContact N-O 2.85Å; R59-E70 PolarHBondContact O-N 2.98Å; R59-R72 HydrophobicContact CB-CG 3.92Å; R59-R72 VanDerWaalsContact CB-NE 3.34Å
60	F	98.8	Very high	97.6	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.9	164.3	175.5	-85.8	0	0	0	109.4	F46 I47 A48 P67 F91 K92	F46-F60 AromaticContact CD1-CD1 3.88Å; F46-F60 HydrophobicContact CD1-CD1 3.88Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.17Å; F46-F60 HydrophobicContact CE1-CE1 4.49Å; I47-F60 WeakPolarHBondContact CA-O 3.21Å; A48-F60 HydrophobicContact CB-CB 4.28Å; A48-F60 PolarHBondContact N-O 3.37Å; A48-F60 PolarHBondContact O-N 3.41Å; F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.77Å; F60-F91 HydrophobicContact CB-CB 4.05Å; F60-F91 HydrophobicContact CB-CD2 3.41Å; F60-F91 VanDerWaalsContact CB-CD2 3.41Å; F60-F91 HydrophobicContact CB-CE2 4.01Å; F60-F91 HydrophobicContact CB-CG 3.87Å; F60-F91 HydrophobicContact CD1-CB 3.66Å; F60-F91 HydrophobicContact CD1-CG 4.34Å; F60-F91 HydrophobicContact CD2-CB 3.7Å; F60-F91 AromaticContact CD2-CD2 3.98Å; F60-F91 HydrophobicContact CD2-CD2 3.98Å; F60-F91 HydrophobicContact CD2-CG 4.3Å; F60-F91 HydrophobicContact CE1-CB 3.98Å; F60-F91 HydrophobicContact CE2-CB 4.02Å; F60-F91 HydrophobicContact CG-CB 3.52Å; F60-F91 AromaticContact CG-CD2 3.78Å; F60-F91 HydrophobicContact CG-CD2 3.78Å; F60-F91 AromaticContact CG-CG 3.93Å; F60-F91 HydrophobicContact CG-CG 3.93Å; F60-F91 HydrophobicContact CZ-CB 4.15Å; F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.09Å
61	D	98.7	Very high	97.6	Very high	22 Å²	22	51.6 Å²	51.6	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	118.5	177	-158.2	-33.8	0	0	0	109.7	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.6Å; R45-D61 IonicContact CZ-OD2 3.61Å; R45-D61 IonicContact NE-OD1 2.71Å; R45-D61 PolarHBondContact NE-OD1 2.93Å; R45-D61 IonicContact NE-OD2 3.34Å; R45-D61 IonicContact NH2-OD1 3.71Å; R45-D61 PolarHBondContact NH2-OD1 3.26Å; R45-D61 IonicContact NH2-OD2 2.84Å; R45-D61 PolarHBondContact NH2-OD2 3Å; R59-D61 IonicContact CZ-OD2 3.76Å; R59-D61 IonicContact NH2-OD2 2.61Å; R59-D61 PolarHBondContact NH2-OD2 2.61Å; D61-D63 PolarHBondContact O-N 2.71Å; D61-D63 PolarHBondContact OD1-N 3.34Å; D61-A64 WeakPolarHBondContact O-CB 3.36Å; D61-A64 PolarHBondContact O-N 2.84Å
62	S	98.1	Very high	97.6	Very high	25 Å²	25	53.7 Å²	53.7	18%	0.175	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.1	-178.6	69.6	0	0	0	0	113.4	F46	F46-S62 PolarHBondContact N-OG 3.03Å; F46-S62 PolarHBondContact O-N 3.48Å; F46-S62 PolarHBondContact O-OG 3.28Å
63	D	96.5	Very high	97.5	Very high	69 Å²	69	54 Å²	54	37%	0.369	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.6	-179.8	-77.5	6	0	0	0	113.3	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.6Å; R38-D63 IonicContact CZ-OD2 3.11Å; R38-D63 VanDerWaalsContact NH1-CG 3.35Å; R38-D63 IonicContact NH1-OD1 3.4Å; R38-D63 PolarHBondContact NH1-OD1 3.22Å; R38-D63 IonicContact NH1-OD2 2.74Å; R38-D63 PolarHBondContact NH1-OD2 2.74Å; R38-D63 IonicContact NH2-OD1 2.68Å; R38-D63 PolarHBondContact NH2-OD1 3.4Å; R38-D63 IonicContact NH2-OD2 2.66Å; R45-D63 WeakPolarHBondContact CD-OD2 3.24Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 WeakPolarHBondContact CG-OD2 3.32Å; R45-D63 IonicContact NE-OD2 2.74Å; D61-D63 PolarHBondContact O-N 2.71Å; D61-D63 PolarHBondContact OD1-N 3.34Å
64	A	96.9	Very high	97.5	Very high	36 Å²	36	57.3 Å²	57.3	30%	0.298	32%	0.321	S	S	.	.	S	Bend	trans	-61.8	148.1	174.4	0	0	0	0	0	110.4	D61 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.36Å; D61-A64 PolarHBondContact O-N 2.84Å; A64-S66 PolarHBondContact O-N 2.91Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 3.4Å
65	A	96.1	Very high	97.6	Very high	117 Å²	117	50.7 Å²	50.7	97%	0.967	28%	0.284	S	S	*	.	S	Bend	trans	-58.5	-30	178.1	0	0	0	0	0	112.8
66	S	95.9	Very high	97.6	Very high	78 Å²	78	48 Å²	48	55%	0.545	27%	0.268	S	S	.	.	S	Bend	trans	-132	89.3	170.6	-170.8	0	0	0	0	108.6	A64 R68	A64-S66 PolarHBondContact O-N 2.91Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 2.75Å
67	P	97.1	Very high	97.5	Very high	37 Å²	37	51.6 Å²	51.6	24%	0.24	29%	0.285	C	S	.	.			trans	-64	110.3	-176.3	-23.7	34.8	0	0	0	111.7	F60 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.91Å; F60-P67 HydrophobicContact CZ-CB 3.77Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 3.4Å; P67-K92 WeakPolarHBondContact O-CE 3.4Å
68	R	98.1	Very high	97.4	Very high	147 Å²	147	57.3 Å²	57.3	56%	0.555	31%	0.311	S	S	*	.			trans	-145	159	175.9	62.6	-177	166.2	-177.7	-3.7	110.4	S66 E70 T88	S66-R68 PolarHBondContact O-N 2.75Å; R68-E70 HydrophobicContact CG-CG 4.28Å; R68-T88 HydrophobicContact CB-CG2 4.2Å
69	T	98.5	Very high	97.3	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.043	31%	0.313	C	S	.	.			trans	-71.1	134	170.6	-50.9	0	0	0	0	109.2	V58 R59 W84 N87 T88 F91	V58-T69 HydrophobicContact CB-CG2 4.07Å; V58-T69 HydrophobicContact CG1-CG2 4.09Å; R59-T69 WeakPolarHBondContact O-CA 3.05Å; T69-W84 HydrophobicContact CG2-CE3 4.02Å; T69-W84 HydrophobicContact CG2-CZ3 3.86Å; T69-N87 HydrophobicContact CG2-CB 4.35Å; T69-T88 PolarHBondContact N-OG1 3.12Å; T69-T88 WeakPolarHBondContact OG1-CA 3Å; T69-T88 PolarHBondContact OG1-N 3.09Å; T69-T88 PolarHBondContact OG1-OG1 3.27Å; T69-F91 HydrophobicContact CG2-CD2 4.31Å; T69-F91 HydrophobicContact CG2-CE2 3.73Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.27Å; T69-F91 WeakPolarHBondContact OG1-CE2 3.21Å
70	E	98.2	Very high	97.2	Very high	63 Å²	63	56 Å²	56	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.3	-177.8	-63.3	178	154.6	0	0	110.3	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.33Å; R59-E70 PolarHBondContact N-O 2.85Å; R59-E70 PolarHBondContact O-N 2.98Å; R68-E70 HydrophobicContact CG-CG 4.28Å; E70-R72 IonicContact OE2-CZ 3.73Å; E70-R72 IonicContact OE2-NH2 3.79Å; E70-R72 PolarHBondContact OE2-NH2 2.9Å
71	P	98.2	Very high	97.1	Very high	46 Å²	46	60 Å²	60	30%	0.299	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	147.5	172.6	28.8	-34.3	0	0	0	110.7	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.58Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 3.97Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.04Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.5Å
72	R	98.2	Very high	97.1	Very high	113 Å²	113	65.9 Å²	65.9	43%	0.426	37%	0.368	S	S	.	.			trans	-127.6	-0.5	175.9	-60.8	-64	172.1	-164.8	0.7	113.7	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.38Å; Q56-R72 HydrophobicContact CG-CB 4.06Å; Q56-R72 HydrophobicContact CG-CG 4.23Å; Q56-R72 CarbonylContact O-C 3.59Å; Q56-R72 WeakPolarHBondContact O-CB 3.33Å; F57-R72 PolarHBondContact O-N 3.13Å; R59-R72 HydrophobicContact CB-CG 3.92Å; R59-R72 VanDerWaalsContact CB-NE 3.34Å; E70-R72 IonicContact OE2-CZ 3.73Å; E70-R72 IonicContact OE2-NH2 3.79Å; E70-R72 PolarHBondContact OE2-NH2 2.9Å
73	A	96.5	Very high	97.1	Very high	5 Å²	5	65.4 Å²	65.4	4%	0.041	36%	0.363	C	S	.	.	S	Bend	trans	-139.3	145	172.4	0	0	0	0	0	110.2	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.2Å; F57-A73 HydrophobicContact CB-CB 4.36Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.29Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 4.18Å; A73-W75 PolarHBondContact O-N 2.71Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 3.01Å
74	P	96.4	Very high	97.2	Very high	106 Å²	106	63.9 Å²	63.9	69%	0.688	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-59	-37.1	-177	-26.6	35.2	0	0	0	113.8	I76 E77	P74-I76 PolarHBondContact O-N 2.83Å; P74-E77 WeakPolarHBondContact O-CB 3.36Å; P74-E77 PolarHBondContact O-N 3.08Å; P74-E77 VanDerWaalsContact O-N 3.1Å
75	W	95.8	Very high	97.3	Very high	18 Å²	18	67.7 Å²	67.7	7%	0.068	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-68.2	-17.9	-176.5	57	-105.9	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.27Å; V52-W75 HydrophobicContact CB-CZ2 4.32Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; F57-W75 HydrophobicContact CB-CH2 3.24Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 4.16Å; F57-W75 HydrophobicContact CD1-CH2 4.25Å; F57-W75 AromaticContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CZ3 4.3Å; F57-W75 AromaticContact CG-CH2 3.56Å; F57-W75 HydrophobicContact CG-CH2 3.56Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.4Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.29Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 4.18Å; A73-W75 PolarHBondContact O-N 2.71Å; W75-Q78 WeakPolarHBondContact O-CG 3.39Å; W75-Y195 HydrophobicContact CH2-CG 4.24Å; W75-Y195 AromaticContact CZ3-CD1 3.95Å; W75-Y195 HydrophobicContact CZ3-CD1 3.95Å; W75-Y195 AromaticContact CZ3-CG 3.87Å; W75-Y195 HydrophobicContact CZ3-CG 3.87Å; W75-N198 WeakPolarHBondContact CB-O 3.23Å; W75-N198 HydrophobicContact CE3-CB 4.1Å; W75-L203 HydrophobicContact CZ2-CD1 3.96Å; W75-L203 HydrophobicContact CZ2-CD2 4.44Å
76	I	97.6	Very high	97.4	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-84.4	-19.4	175.1	-165.4	70.3	0	0	0	111.5	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.45Å; F57-I76 HydrophobicContact CD2-CD1 3.87Å; F57-I76 HydrophobicContact CD2-CG1 3.96Å; F57-I76 HydrophobicContact CE2-CD1 4.3Å; F57-I76 VanDerWaalsContact O-CG2 3.25Å; F57-I76 WeakPolarHBondContact O-CG2 3.17Å; V58-I76 HydrophobicContact CG1-CG1 4.43Å; P71-I76 HydrophobicContact CB-CG2 3.58Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 3.01Å; P74-I76 PolarHBondContact O-N 2.83Å; I76-Q78 PolarHBondContact O-N 2.78Å; I76-Q78 VanDerWaalsContact O-N 3.1Å; I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.23Å; I76-E79 WeakPolarHBondContact O-CB 3.3Å; I76-E79 WeakPolarHBondContact O-CG 3.36Å; I76-E79 PolarHBondContact O-N 2.92Å; I76-Y83 HydrophobicContact CD1-CE1 4.32Å; I76-Y83 HydrophobicContact CG1-CE1 4.33Å; I76-W84 HydrophobicContact CB-CH2 4.45Å; I76-W84 HydrophobicContact CG1-CH2 3.73Å; I76-W84 HydrophobicContact CG1-CZ2 4.02Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.42Å; I76-W84 WeakPolarHBondContact O-CZ2 3.3Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.46Å; I76-Y195 VanDerWaalsContact CD1-CE1 3.46Å
77	E	96.2	Very high	97.5	Very high	127 Å²	127	66.5 Å²	66.5	59%	0.593	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.1	-177.2	-62.6	-177.8	-172.6	0	0	113	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 3.97Å; P74-E77 WeakPolarHBondContact O-CB 3.36Å; P74-E77 PolarHBondContact O-N 3.08Å; P74-E77 VanDerWaalsContact O-N 3.1Å; E77-E79 PolarHBondContact O-N 2.96Å
78	Q	95.4	Very high	97.5	Very high	120 Å²	120	65.4 Å²	65.4	56%	0.561	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.5	174.8	74.3	-170.5	29.7	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.39Å; I76-Q78 PolarHBondContact O-N 2.78Å; I76-Q78 VanDerWaalsContact O-N 3.1Å; Q78-N198 PolarHBondContact NE2-OD1 3.17Å
79	E	97.3	Very high	97.6	Very high	11 Å²	11	63.7 Å²	63.7	5%	0.051	32%	0.318	C	S	.	.	S	Bend	trans	-65.5	138.3	173.8	-69.7	-62.6	158.3	0	0	111.3	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.23Å; I76-E79 WeakPolarHBondContact O-CB 3.3Å; I76-E79 WeakPolarHBondContact O-CG 3.36Å; I76-E79 PolarHBondContact O-N 2.92Å; E77-E79 PolarHBondContact O-N 2.96Å; E79-Y83 HydrophobicContact CB-CD1 3.59Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CD2 4.38Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.12Å; E79-W84 HydrophobicContact CB-CZ2 4.37Å; E79-W84 PolarHBondContact O-NE1 3.05Å; E79-R194 IonicContact OE1-CZ 3.86Å; E79-R194 IonicContact OE1-NE 3.59Å; E79-R194 PolarHBondContact OE1-NE 3.24Å; E79-R194 IonicContact OE1-NH2 3.43Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 3.63Å; E79-R194 IonicContact OE2-NE 2.83Å; E79-R194 IonicContact OE2-NH2 3.6Å; E79-R194 PolarHBondContact OE2-NH2 3.41Å; E79-N198 PolarHBondContact OE1-ND2 2.89Å
80	G	97.1	Very high	97.5	Very high	29 Å²	29	66.4 Å²	66.4	30%	0.299	33%	0.332	S	S	.	.			trans	-71.4	167.7	-176	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.47Å; G80-Y83 WeakPolarHBondContact O-CB 3.44Å; G80-Y83 PolarHBondContact O-N 2.87Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; G80-W84 PolarHBondContact O-N 3.22Å
81	P	97.4	Very high	97.5	Very high	85 Å²	85	63.5 Å²	63.5	55%	0.552	32%	0.319	S	S	*	.	H	α-helix	trans	-57.4	-34.4	-178.9	23.5	-32.9	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.42Å; P81-W84 PolarHBondContact O-N 3.49Å; P81-W84 VanDerWaalsContact O-N 3.14Å; P81-D85 WeakPolarHBondContact O-CB 3.38Å; P81-D85 PolarHBondContact O-N 3.27Å
82	E	98	Very high	97.5	Very high	144 Å²	144	65.7 Å²	65.7	67%	0.673	32%	0.323	S	S	*	.	H	α-helix	trans	-62.1	-34.3	179	-61.2	80.2	-173.8	0	0	112.4	G80 R86	G80-E82 PolarHBondContact O-N 3.47Å; E82-R86 WeakPolarHBondContact O-CB 3.2Å; E82-R86 PolarHBondContact O-N 3.47Å
83	Y	97.8	Very high	97.6	Very high	15 Å²	15	64 Å²	64	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-48.5	174.7	170.3	-92.1	0	0	0	110.7	I76 E79 G80 P81 R86 N87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.32Å; I76-Y83 HydrophobicContact CG1-CE1 4.33Å; E79-Y83 HydrophobicContact CB-CD1 3.59Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CD2 4.38Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.12Å; G80-Y83 WeakPolarHBondContact O-CB 3.44Å; G80-Y83 PolarHBondContact O-N 2.87Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.42Å; Y83-R86 PolarHBondContact O-N 3.07Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.41Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.48Å; Y83-N87 WeakPolarHBondContact O-CB 3.31Å; Y83-N87 PolarHBondContact O-N 2.96Å; Y83-N87 PolarHBondContact O-ND2 2.83Å; Y83-W191 AromaticContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CE2-CE3 4.31Å; Y83-W191 AromaticContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CZ2 4.46Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; Y83-Y195 HydrophobicContact CE2-CE1 4.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 PolarHBondContact OH-OH 3.16Å
84	W	98.4	Very high	97.6	Very high	38 Å²	38	65 Å²	65	14%	0.144	33%	0.33	C	S	.	.	H	α-helix	trans	-66.8	-42	-177.5	-64.6	112.3	0	0	0	112.2	V58 T69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.15Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å; T69-W84 HydrophobicContact CG2-CE3 4.02Å; T69-W84 HydrophobicContact CG2-CZ3 3.86Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 4.04Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.5Å; I76-W84 HydrophobicContact CB-CH2 4.45Å; I76-W84 HydrophobicContact CG1-CH2 3.73Å; I76-W84 HydrophobicContact CG1-CZ2 4.02Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.42Å; I76-W84 WeakPolarHBondContact O-CZ2 3.3Å; E79-W84 HydrophobicContact CB-CZ2 4.37Å; E79-W84 PolarHBondContact O-NE1 3.05Å; G80-W84 PolarHBondContact O-N 3.22Å; P81-W84 PolarHBondContact O-N 3.49Å; P81-W84 VanDerWaalsContact O-N 3.14Å; W84-T88 VanDerWaalsContact O-CB 3.24Å; W84-T88 WeakPolarHBondContact O-CB 3.35Å; W84-T88 PolarHBondContact O-N 2.68Å; W84-T88 PolarHBondContact O-OG1 3.01Å
85	D	98.4	Very high	97.7	Very high	116 Å²	116	60.6 Å²	60.6	62%	0.62	30%	0.302	S	S	*	.	H	α-helix	trans	-65.6	-45.6	177.7	-75	-17.4	0	0	0	111.3	P81 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.38Å; P81-D85 PolarHBondContact O-N 3.27Å; D85-T88 PolarHBondContact O-N 3.4Å; D85-Q89 WeakPolarHBondContact O-CB 3.22Å; D85-Q89 PolarHBondContact O-N 2.81Å
86	R	98.1	Very high	97.8	Very high	148 Å²	148	63.8 Å²	63.8	56%	0.558	32%	0.317	S	S	*	.	H	α-helix	trans	-60	-49.9	176.8	-179.5	179.9	176.7	179.7	-0.4	111.5	E82 Y83 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.2Å; E82-R86 PolarHBondContact O-N 3.47Å; Y83-R86 PolarHBondContact O-N 3.07Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 2.97Å; R86-Q89 PolarHBondContact O-N 2.99Å; R86-I90 HydrophobicContact CG-CD1 3.97Å; R86-I90 WeakPolarHBondContact O-CG1 3.28Å; R86-I90 PolarHBondContact O-N 3.25Å
87	N	98.1	Very high	97.8	Very high	22 Å²	22	66.8 Å²	66.8	12%	0.118	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-39.2	-179.8	-79	-75.1	0	0	0	111.7	T69 Y83 Q89 I90 F91	T69-N87 HydrophobicContact CG2-CB 4.35Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.41Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.48Å; Y83-N87 WeakPolarHBondContact O-CB 3.31Å; Y83-N87 PolarHBondContact O-N 2.96Å; Y83-N87 PolarHBondContact O-ND2 2.83Å; N87-Q89 VanDerWaalsContact C-N 3.31Å; N87-Q89 PolarHBondContact O-N 3.47Å; N87-I90 PolarHBondContact O-N 3.06Å; N87-F91 HydrophobicContact CB-CE2 4.35Å; N87-F91 VanDerWaalsContact O-CD2 3.24Å; N87-F91 WeakPolarHBondContact O-CD2 3.37Å; N87-F91 WeakPolarHBondContact O-CG 3.43Å; N87-F91 PolarHBondContact O-N 2.77Å
88	T	98.6	Very high	97.9	Very high	13 Å²	13	61 Å²	61	8%	0.08	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-46	174.5	-66.8	0	0	0	0	110.9	R68 T69 W84 D85 R86 F91 K92	R68-T88 HydrophobicContact CB-CG2 4.2Å; T69-T88 PolarHBondContact N-OG1 3.12Å; T69-T88 WeakPolarHBondContact OG1-CA 3Å; T69-T88 PolarHBondContact OG1-N 3.09Å; T69-T88 PolarHBondContact OG1-OG1 3.27Å; W84-T88 VanDerWaalsContact O-CB 3.24Å; W84-T88 WeakPolarHBondContact O-CB 3.35Å; W84-T88 PolarHBondContact O-N 2.68Å; W84-T88 PolarHBondContact O-OG1 3.01Å; D85-T88 PolarHBondContact O-N 3.4Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 2.97Å; T88-F91 PolarHBondContact O-N 2.97Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.48Å; T88-K92 PolarHBondContact O-N 3.2Å
89	Q	98.6	Very high	98	Very high	111 Å²	111	57.4 Å²	57.4	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-39.8	179.1	-170.5	58.5	25.5	0	0	112	D85 R86 N87 F91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.22Å; D85-Q89 PolarHBondContact O-N 2.81Å; R86-Q89 PolarHBondContact O-N 2.99Å; N87-Q89 VanDerWaalsContact C-N 3.31Å; N87-Q89 PolarHBondContact O-N 3.47Å; Q89-F91 PolarHBondContact O-N 3.48Å; Q89-K92 PolarHBondContact O-N 3.05Å; Q89-T93 PolarHBondContact O-N 2.81Å; Q89-T93 PolarHBondContact O-OG1 2.67Å; Q89-T93 VanDerWaalsContact O-OG1 3.13Å
90	I	98.1	Very high	98	Very high	65 Å²	65	62.4 Å²	62.4	33%	0.333	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-46.5	174.6	-71.6	166.6	0	0	0	110.9	R86 N87 T93 N94	R86-I90 HydrophobicContact CG-CD1 3.97Å; R86-I90 WeakPolarHBondContact O-CG1 3.28Å; R86-I90 PolarHBondContact O-N 3.25Å; N87-I90 PolarHBondContact O-N 3.06Å; I90-T93 PolarHBondContact O-N 2.78Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.17Å; I90-N94 PolarHBondContact O-N 3.26Å; I90-N94 PolarHBondContact O-ND2 2.65Å
91	F	98.5	Very high	98	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.009	31%	0.309	C	S	.	.	H	α-helix	trans	-70.9	-32.3	179.6	-62.9	-43.3	0	0	0	113.3	Y33 F46 A48 F60 T69 N87 T88 Q89 N94 T95	Y33-F91 HydrophobicContact CE1-CD1 4.11Å; Y33-F91 AromaticContact CE1-CE1 3.57Å; Y33-F91 HydrophobicContact CE1-CE1 3.57Å; Y33-F91 AromaticContact CZ-CE1 3.7Å; Y33-F91 VanDerWaalsContact OH-CE1 3.26Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.46Å; F46-F91 HydrophobicContact CE1-CB 4.22Å; F46-F91 HydrophobicContact CE1-CD1 4.36Å; A48-F91 HydrophobicContact CB-CD1 3.62Å; A48-F91 HydrophobicContact CB-CE1 3.54Å; A48-F91 HydrophobicContact CB-CE2 4.5Å; A48-F91 HydrophobicContact CB-CG 4.16Å; A48-F91 HydrophobicContact CB-CZ 4.02Å; F60-F91 HydrophobicContact CB-CB 4.05Å; F60-F91 HydrophobicContact CB-CD2 3.41Å; F60-F91 VanDerWaalsContact CB-CD2 3.41Å; F60-F91 HydrophobicContact CB-CE2 4.01Å; F60-F91 HydrophobicContact CB-CG 3.87Å; F60-F91 HydrophobicContact CD1-CB 3.66Å; F60-F91 HydrophobicContact CD1-CG 4.34Å; F60-F91 HydrophobicContact CD2-CB 3.7Å; F60-F91 AromaticContact CD2-CD2 3.98Å; F60-F91 HydrophobicContact CD2-CD2 3.98Å; F60-F91 HydrophobicContact CD2-CG 4.3Å; F60-F91 HydrophobicContact CE1-CB 3.98Å; F60-F91 HydrophobicContact CE2-CB 4.02Å; F60-F91 HydrophobicContact CG-CB 3.52Å; F60-F91 AromaticContact CG-CD2 3.78Å; F60-F91 HydrophobicContact CG-CD2 3.78Å; F60-F91 AromaticContact CG-CG 3.93Å; F60-F91 HydrophobicContact CG-CG 3.93Å; F60-F91 HydrophobicContact CZ-CB 4.15Å; T69-F91 HydrophobicContact CG2-CD2 4.31Å; T69-F91 HydrophobicContact CG2-CE2 3.73Å; T69-F91 WeakPolarHBondContact OG1-CD2 3.27Å; T69-F91 WeakPolarHBondContact OG1-CE2 3.21Å; N87-F91 HydrophobicContact CB-CE2 4.35Å; N87-F91 VanDerWaalsContact O-CD2 3.24Å; N87-F91 WeakPolarHBondContact O-CD2 3.37Å; N87-F91 WeakPolarHBondContact O-CG 3.43Å; N87-F91 PolarHBondContact O-N 2.77Å; T88-F91 PolarHBondContact O-N 2.97Å; Q89-F91 PolarHBondContact O-N 3.48Å; F91-N94 PolarHBondContact O-N 3.08Å; F91-T95 PolarHBondContact O-N 3.21Å; F91-T95 PolarHBondContact O-OG1 3.35Å
92	K	98.2	Very high	98	Very high	91 Å²	91	59 Å²	59	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-43.8	170.6	-75.9	178.8	178.3	176.2	0	111.9	F60 P67 T88 Q89 T95	F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4.09Å; P67-K92 WeakPolarHBondContact O-CE 3.4Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.48Å; T88-K92 PolarHBondContact O-N 3.2Å; Q89-K92 PolarHBondContact O-N 3.05Å; K92-T95 WeakPolarHBondContact O-CB 3.06Å; K92-T95 PolarHBondContact O-N 3.41Å
93	T	98.3	Very high	98	Very high	77 Å²	77	58.8 Å²	58.8	47%	0.472	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-46.2	173.8	-61	0	0	0	0	110.9	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 2.81Å; Q89-T93 PolarHBondContact O-OG1 2.67Å; Q89-T93 VanDerWaalsContact O-OG1 3.13Å; I90-T93 PolarHBondContact O-N 2.78Å; T93-T95 VanDerWaalsContact C-N 3.27Å; T93-T95 PolarHBondContact O-N 2.83Å; T93-Q96 WeakPolarHBondContact O-CB 3Å; T93-Q96 PolarHBondContact O-N 2.78Å; T93-T97 PolarHBondContact O-N 3.45Å; T93-T97 VanDerWaalsContact O-N 3.1Å; T93-T97 PolarHBondContact O-OG1 3.17Å
94	N	98.1	Very high	97.9	Very high	26 Å²	26	62.1 Å²	62.1	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-36.2	176.5	-82.1	-75.3	0	0	0	112.2	F46 I90 F91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.16Å; F46-N94 HydrophobicContact CE2-CB 4.16Å; F46-N94 HydrophobicContact CZ-CB 3.69Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.17Å; I90-N94 PolarHBondContact O-N 3.26Å; I90-N94 PolarHBondContact O-ND2 2.65Å; F91-N94 PolarHBondContact O-N 3.08Å; N94-Q96 PolarHBondContact O-N 3.15Å; N94-T97 PolarHBondContact O-N 2.8Å; N94-T97 VanDerWaalsContact O-N 3.15Å; N94-Y98 HydrophobicContact CB-CD2 4.24Å; N94-Y98 HydrophobicContact CB-CE2 4.45Å; N94-Y98 WeakPolarHBondContact O-CB 3.47Å; N94-Y98 VanDerWaalsContact O-CD2 3.22Å; N94-Y98 WeakPolarHBondContact O-CD2 3.46Å; N94-Y98 PolarHBondContact O-N 2.81Å
95	T	98.1	Very high	97.9	Very high	15 Å²	15	60.6 Å²	60.6	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-54.8	-38.3	175.3	-58.7	0	0	0	0	111.7	F46 F91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.95Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.49Å; F91-T95 PolarHBondContact O-N 3.21Å; F91-T95 PolarHBondContact O-OG1 3.35Å; K92-T95 WeakPolarHBondContact O-CB 3.06Å; K92-T95 PolarHBondContact O-N 3.41Å; T93-T95 VanDerWaalsContact C-N 3.27Å; T93-T95 PolarHBondContact O-N 2.83Å; T95-R99 PolarHBondContact O-N 3.34Å
96	Q	97.6	Very high	97.9	Very high	85 Å²	85	58.4 Å²	58.4	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-74.3	-46.2	175.8	-57.4	-53.3	-45	0	0	112.1	T93 N94 Y98 R99 E100	T93-Q96 WeakPolarHBondContact O-CB 3Å; T93-Q96 PolarHBondContact O-N 2.78Å; N94-Q96 PolarHBondContact O-N 3.15Å; Q96-Y98 VanDerWaalsContact C-N 3.26Å; Q96-Y98 PolarHBondContact O-N 2.8Å; Q96-R99 WeakPolarHBondContact O-CB 3.23Å; Q96-R99 PolarHBondContact O-N 3.07Å; Q96-R99 VanDerWaalsContact O-N 3.14Å; Q96-E100 PolarHBondContact O-N 2.04Å; Q96-E100 VanDerWaalsContact O-N 3.12Å
97	T	97.8	Very high	97.8	Very high	63 Å²	63	53.3 Å²	53.3	39%	0.387	27%	0.269	S	S	.	.	H	α-helix	trans	-56	-41.4	176.9	-54.5	0	0	0	0	112.2	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 3.45Å; T93-T97 VanDerWaalsContact O-N 3.1Å; T93-T97 PolarHBondContact O-OG1 3.17Å; N94-T97 PolarHBondContact O-N 2.8Å; N94-T97 VanDerWaalsContact O-N 3.15Å; T97-E100 PolarHBondContact O-N 3.04Å; T97-S101 WeakPolarHBondContact O-CB 3.28Å; T97-S101 PolarHBondContact O-N 3.49Å; T97-S101 PolarHBondContact O-OG 2.83Å
98	Y	98	Very high	97.8	Very high	5 Å²	5	55 Å²	55	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-74.2	-31	-179.3	-86.8	-99.2	0	0	0	112.9	Y33 A35 F46 N94 Q96 E100 S101 L102 I119 R121 F140	Y33-Y98 AromaticContact CD2-CE2 3.86Å; Y33-Y98 HydrophobicContact CD2-CE2 3.86Å; Y33-Y98 AromaticContact CD2-CZ 3.93Å; A35-Y98 HydrophobicContact CB-CD1 3.63Å; A35-Y98 HydrophobicContact CB-CG 4.02Å; F46-Y98 HydrophobicContact CD2-CD1 4.46Å; F46-Y98 HydrophobicContact CD2-CD2 4.2Å; F46-Y98 AromaticContact CD2-CG 3.97Å; F46-Y98 HydrophobicContact CD2-CG 3.97Å; F46-Y98 HydrophobicContact CE2-CD1 4.29Å; F46-Y98 AromaticContact CE2-CD2 3.65Å; F46-Y98 HydrophobicContact CE2-CD2 3.65Å; F46-Y98 AromaticContact CE2-CE2 3.95Å; F46-Y98 HydrophobicContact CE2-CE2 3.95Å; F46-Y98 AromaticContact CE2-CG 3.83Å; F46-Y98 HydrophobicContact CE2-CG 3.83Å; N94-Y98 HydrophobicContact CB-CD2 4.24Å; N94-Y98 HydrophobicContact CB-CE2 4.45Å; N94-Y98 WeakPolarHBondContact O-CB 3.47Å; N94-Y98 VanDerWaalsContact O-CD2 3.22Å; N94-Y98 WeakPolarHBondContact O-CD2 3.46Å; N94-Y98 PolarHBondContact O-N 2.81Å; Q96-Y98 VanDerWaalsContact C-N 3.26Å; Q96-Y98 PolarHBondContact O-N 2.8Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; Y98-S101 PolarHBondContact O-N 2.84Å; Y98-L102 WeakPolarHBondContact O-CB 3.38Å; Y98-L102 WeakPolarHBondContact O-CG 3.3Å; Y98-L102 PolarHBondContact O-N 3.06Å; Y98-I119 HydrophobicContact CD1-CD1 4.32Å; Y98-I119 HydrophobicContact CD1-CG2 3.55Å; Y98-I119 HydrophobicContact CE1-CD1 4.14Å; Y98-I119 HydrophobicContact CE1-CG1 4.33Å; Y98-I119 HydrophobicContact CE1-CG2 4.04Å; Y98-R121 WeakPolarHBondContact OH-CB 3.45Å; Y98-R121 WeakPolarHBondContact OH-CD 3.36Å; Y98-F140 WeakPolarHBondContact OH-CE1 3.18Å
99	R	97.4	Very high	97.8	Very high	44 Å²	44	57.6 Å²	57.6	17%	0.166	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-45.4	170	177.4	-166.7	-56.2	-167.2	-15	111.3	E43 P44 T95 Q96 R103	E43-R99 VanDerWaalsContact CG-NH2 3.3Å; E43-R99 IonicContact OE1-CZ 3.98Å; E43-R99 IonicContact OE1-NE 3.28Å; E43-R99 IonicContact OE1-NH1 3.13Å; E43-R99 PolarHBondContact OE1-NH1 2.74Å; E43-R99 IonicContact OE1-NH2 3.09Å; E43-R99 VanDerWaalsContact OE2-CD 3.22Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 2.87Å; E43-R99 IonicContact OE2-NE 3.2Å; E43-R99 PolarHBondContact OE2-NE 2.85Å; E43-R99 IonicContact OE2-NH1 3.65Å; E43-R99 IonicContact OE2-NH2 3.39Å; E43-R99 PolarHBondContact OE2-NH2 2.79Å; P44-R99 HydrophobicContact CG-CB 4.31Å; P44-R99 HydrophobicContact CG-CG 4.13Å; T95-R99 PolarHBondContact O-N 3.34Å; Q96-R99 WeakPolarHBondContact O-CB 3.23Å; Q96-R99 PolarHBondContact O-N 3.07Å; Q96-R99 VanDerWaalsContact O-N 3.14Å; R99-R103 WeakPolarHBondContact O-CG 3.32Å; R99-R103 PolarHBondContact O-N 3.03Å
100	E	97.3	Very high	97.7	Very high	116 Å²	116	59.4 Å²	59.4	54%	0.542	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-41.2	175.4	-67.7	179.4	-179.3	0	0	111.7	Q96 T97 Y98 L102 R103 N104	Q96-E100 PolarHBondContact O-N 2.04Å; Q96-E100 VanDerWaalsContact O-N 3.12Å; T97-E100 PolarHBondContact O-N 3.04Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 2.84Å; E100-R103 WeakPolarHBondContact O-CB 3.41Å; E100-R103 PolarHBondContact O-N 3.48Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-N104 PolarHBondContact O-N 3.14Å; E100-N104 PolarHBondContact O-ND2 2.93Å
101	S	97.8	Very high	97.7	Very high	32 Å²	32	59 Å²	59	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-43.8	177.3	-59.6	0	0	0	0	112	T97 Y98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.28Å; T97-S101 PolarHBondContact O-N 3.49Å; T97-S101 PolarHBondContact O-OG 2.83Å; Y98-S101 PolarHBondContact O-N 2.84Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 2.85Å; S101-N104 PolarHBondContact O-N 2.9Å; S101-L105 WeakPolarHBondContact O-CB 3.4Å; S101-L105 VanDerWaalsContact O-CG 3.32Å; S101-L105 WeakPolarHBondContact O-CG 3.47Å; S101-L105 PolarHBondContact O-N 3.43Å
102	L	98	Very high	97.5	Very high	10 Å²	10	62.7 Å²	62.7	5%	0.052	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-40.5	174.5	-78.8	166.5	0	0	0	112.3	A35 P44 Y98 E100 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4Å; P44-L102 HydrophobicContact CB-CD1 3.63Å; P44-L102 HydrophobicContact CG-CD1 3.83Å; Y98-L102 WeakPolarHBondContact O-CB 3.38Å; Y98-L102 WeakPolarHBondContact O-CG 3.3Å; Y98-L102 PolarHBondContact O-N 3.06Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 2.84Å; L102-R106 WeakPolarHBondContact O-CB 3.41Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-R106 VanDerWaalsContact O-N 3.09Å; L102-H117 HydrophobicContact CD2-CB 4.21Å; L102-I119 HydrophobicContact CD2-CB 4.27Å; L102-I119 HydrophobicContact CD2-CG2 3.8Å; L102-I119 HydrophobicContact CG-CG2 3.86Å; L102-Y142 HydrophobicContact CD2-CE2 4.29Å
103	R	96.2	Very high	97.2	Very high	140 Å²	140	65 Å²	65	53%	0.528	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-43.6	176.5	-68.5	175	-175.3	164.5	1.5	111.7	R99 E100 S101 G107	R99-R103 WeakPolarHBondContact O-CG 3.32Å; R99-R103 PolarHBondContact O-N 3.03Å; E100-R103 WeakPolarHBondContact O-CB 3.41Å; E100-R103 PolarHBondContact O-N 3.48Å; E100-R103 VanDerWaalsContact O-N 3.12Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 2.85Å; R103-G107 PolarHBondContact O-N 2.76Å
104	N	97.4	Very high	96.9	Very high	85 Å²	85	65.5 Å²	65.5	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-48.4	178.8	-70.8	-24.5	0	0	0	111.7	E100 S101 G107 Y108	E100-N104 PolarHBondContact O-N 3.14Å; E100-N104 PolarHBondContact O-ND2 2.93Å; S101-N104 PolarHBondContact O-N 2.9Å; N104-G107 WeakPolarHBondContact O-CA 3.38Å; N104-G107 PolarHBondContact O-N 3.37Å; N104-G107 VanDerWaalsContact O-N 3.12Å; N104-Y108 WeakPolarHBondContact O-CD1 3.19Å; N104-Y108 PolarHBondContact O-N 2.89Å
105	L	97.9	Very high	96.6	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-46.4	179.5	-71.8	170.5	0	0	0	111.4	S101 G107 Y108 Y109 I119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.4Å; S101-L105 VanDerWaalsContact O-CG 3.32Å; S101-L105 WeakPolarHBondContact O-CG 3.47Å; S101-L105 PolarHBondContact O-N 3.43Å; L105-G107 PolarHBondContact O-N 3.05Å; L105-Y108 HydrophobicContact CD2-CD2 4.35Å; L105-Y108 PolarHBondContact O-N 2.8Å; L105-Y109 HydrophobicContact CD2-CE2 4.25Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.46Å; L105-Y109 PolarHBondContact O-N 3.26Å; L105-I119 HydrophobicContact CD1-CB 4.23Å; L105-I119 HydrophobicContact CD1-CD1 3.61Å; L105-I119 HydrophobicContact CD1-CG1 4.05Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.25Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 3.98Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.41Å; L105-Y147 HydrophobicContact CD2-CD2 4.19Å; L105-Y147 HydrophobicContact CD2-CE1 3.77Å; L105-Y147 HydrophobicContact CD2-CE2 3.49Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.24Å
106	R	97.1	Very high	96.5	Very high	69 Å²	69	68.3 Å²	68.3	26%	0.26	37%	0.369	S	S	.	.	H	α-helix	trans	-52.7	-42.3	173.9	-172.9	-172.2	68.3	162.2	12.3	111.8	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.41Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-R106 VanDerWaalsContact O-N 3.09Å; R106-N110 PolarHBondContact O-N 2.82Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.85Å; R106-Q111 WeakPolarHBondContact CG-O 3.41Å; R106-Q111 PolarHBondContact O-N 2.71Å; R106-E113 IonicContact CZ-OE1 2.97Å; R106-E113 VanDerWaalsContact CZ-OE1 3.28Å; R106-E113 IonicContact NH1-OE1 3.7Å; R106-E113 PolarHBondContact NH1-OE1 2.86Å; R106-E113 IonicContact NH2-OE1 3.53Å; R106-E113 PolarHBondContact NH2-OE1 2.85Å
107	G	97.3	Very high	96.5	Very high	41 Å²	41	65 Å²	65	42%	0.423	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-46.6	175.6	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.76Å; N104-G107 WeakPolarHBondContact O-CA 3.38Å; N104-G107 PolarHBondContact O-N 3.37Å; N104-G107 VanDerWaalsContact O-N 3.12Å; L105-G107 PolarHBondContact O-N 3.05Å; G107-Y109 PolarHBondContact O-N 3.42Å; G107-N110 PolarHBondContact O-N 2.64Å; G107-N110 VanDerWaalsContact O-N 3.09Å; G107-N110 PolarHBondContact O-OD1 2.82Å
108	Y	98	Very high	96.5	Very high	57 Å²	57	65 Å²	65	22%	0.224	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-35.2	179	-63.9	-14.7	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.19Å; N104-Y108 PolarHBondContact O-N 2.89Å; L105-Y108 HydrophobicContact CD2-CD2 4.35Å; L105-Y108 PolarHBondContact O-N 2.8Å; Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CE1-CG2 4.05Å; Y108-I166 HydrophobicContact CE2-CB 4.35Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; Y108-K170 PolarHBondContact OH-NZ 2.85Å
109	Y	97.9	Very high	96.5	Very high	68 Å²	68	65 Å²	65	27%	0.267	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.3	178.1	-71.2	-77	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.25Å; L105-Y109 VanDerWaalsContact O-CD2 3.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.46Å; L105-Y109 PolarHBondContact O-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.42Å; Y109-Q111 PolarHBondContact O-N 2.98Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.3Å; Y109-Y147 AromaticContact CE2-CE2 3.94Å; Y109-Y147 HydrophobicContact CE2-CE2 3.94Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.34Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.4Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.42Å; Y109-D161 VanDerWaalsContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 2.79Å; Y109-A163 HydrophobicContact CD1-CB 4.12Å; Y109-A163 HydrophobicContact CD2-CB 4.3Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.79Å; Y109-A163 HydrophobicContact CG-CB 4.44Å; Y109-A163 VanDerWaalsContact CZ-CB 3.43Å
110	N	97.1	Very high	96.6	Very high	149 Å²	149	66.7 Å²	66.7	80%	0.797	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.4	-176.8	-60.9	-52.1	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 2.82Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.64Å; G107-N110 VanDerWaalsContact O-N 3.09Å; G107-N110 PolarHBondContact O-OD1 2.82Å
111	Q	97.1	Very high	96.7	Very high	58 Å²	58	62.9 Å²	62.9	27%	0.271	34%	0.341	S	S	.	.			trans	-86.2	151.1	-176.9	-70.1	166.8	-32.2	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.85Å; R106-Q111 WeakPolarHBondContact CG-O 3.41Å; R106-Q111 PolarHBondContact O-N 2.71Å; Y109-Q111 PolarHBondContact O-N 2.98Å; Q111-H117 PolarHBondContact NE2-CE1 3.37Å; Q111-H117 PolarHBondContact OE1-CE1 2.99Å; Q111-H117 PolarHBondContact OE1-ND1 2.9Å; Q111-Y142 PolarHBondContact OE1-OH 3.49Å; Q111-D143 PolarHBondContact NE2-OD2 2.83Å
112	S	95.1	Very high	96.7	Very high	79 Å²	79	62.8 Å²	62.8	55%	0.552	34%	0.337	S	S	*	.			trans	-69	155.6	-178.6	78	0	0	0	0	113.1	A114 G115	S112-A114 PolarHBondContact O-N 3.31Å; S112-G115 PolarHBondContact O-N 2.84Å; S112-G115 PolarHBondContact OG-N 3.22Å
113	E	90.8	Very high	96.8	Very high	140 Å²	140	63.3 Å²	63.3	65%	0.654	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.7	177.4	-52.5	-145.4	116.5	0	0	114.4	R106 G115	R106-E113 IonicContact CZ-OE1 2.97Å; R106-E113 VanDerWaalsContact CZ-OE1 3.28Å; R106-E113 IonicContact NH1-OE1 3.7Å; R106-E113 PolarHBondContact NH1-OE1 2.86Å; R106-E113 IonicContact NH2-OE1 3.53Å; R106-E113 PolarHBondContact NH2-OE1 2.85Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.22Å
114	A	91.9	Very high	96.9	Very high	87 Å²	87	56.7 Å²	56.7	72%	0.719	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.9	179.4	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 3.31Å
115	G	92.5	Very high	96.9	Very high	20 Å²	20	52.6 Å²	52.6	21%	0.206	29%	0.292	C	S	.	.			trans	-74.2	133	179.8	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.35Å; S112-G115 PolarHBondContact O-N 2.84Å; S112-G115 PolarHBondContact OG-N 3.22Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.22Å; G115-H117 PolarHBondContact O-CD2 2.79Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å
116	S	95.8	Very high	97	Very high	80 Å²	80	53.4 Å²	53.4	56%	0.559	30%	0.296	S	S	*	.			trans	-87.6	133.9	166.6	-175.9	0	0	0	0	108.8	S37	S37-S116 PolarHBondContact O-OG 3.42Å; S37-S116 WeakPolarHBondContact OG-CA 3.16Å
117	H	98.1	Very high	97	Very high	16 Å²	16	50.2 Å²	50.2	7%	0.074	28%	0.284	C	S	.	.			trans	-134.5	150.2	-172.3	-63	-70.5	0	0	0	110.3	M36 S37 L102 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.19Å; S37-H117 PolarHBondContact N-O 2.98Å; S37-H117 PolarHBondContact OG-N 3.19Å; S37-H117 PolarHBondContact OG-O 3.26Å; L102-H117 HydrophobicContact CD2-CB 4.21Å; Q111-H117 PolarHBondContact NE2-CE1 3.37Å; Q111-H117 PolarHBondContact OE1-CE1 2.99Å; Q111-H117 PolarHBondContact OE1-ND1 2.9Å; G115-H117 PolarHBondContact O-CD2 2.79Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.16Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 PolarHBondContact ND1-OH 3.49Å; H117-D143 WeakPolarHBondContact CA-OD1 3.04Å; H117-D143 IonicContact CE1-OD2 3.97Å; H117-D143 IonicContact CG-OD1 3.55Å; H117-D143 IonicContact CG-OD2 2.97Å; H117-D143 IonicContact ND1-OD1 3.26Å; H117-D143 IonicContact ND1-OD2 2.96Å; H117-D143 PolarHBondContact ND1-OD2 3.46Å
118	I	98.3	Very high	96.9	Very high	61 Å²	61	48.6 Å²	48.6	31%	0.313	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.3	-178.3	-50.8	-175.1	0	0	0	108.7	T34 A35 M36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.86Å; A35-I118 WeakPolarHBondContact O-CA 3.24Å; M36-I118 HydrophobicContact CB-CG1 4.5Å; M36-I118 HydrophobicContact CG-CB 4.48Å; M36-I118 HydrophobicContact CG-CD1 4.06Å; M36-I118 HydrophobicContact CG-CG1 3.91Å; M36-I118 HydrophobicContact CG-CG2 4.01Å; I118-Q120 HydrophobicContact CG2-CG 3.93Å; I118-Y142 CarbonylContact O-C 3.57Å; I118-Y142 WeakPolarHBondContact O-CA 3.39Å; I118-Y142 WeakPolarHBondContact O-CD2 3.47Å; I118-D143 PolarHBondContact N-OD1 3.22Å; I118-D143 PolarHBondContact O-N 3.3Å
119	I	98.6	Very high	96.6	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.6	165	-175.9	-175.8	0	0	0	108.2	A35 Y98 L102 L105 F140 A141 Y142	A35-I119 HydrophobicContact CB-CG2 3.72Å; A35-I119 PolarHBondContact N-O 3.14Å; A35-I119 PolarHBondContact O-N 2.9Å; Y98-I119 HydrophobicContact CD1-CD1 4.32Å; Y98-I119 HydrophobicContact CD1-CG2 3.55Å; Y98-I119 HydrophobicContact CE1-CD1 4.14Å; Y98-I119 HydrophobicContact CE1-CG1 4.33Å; Y98-I119 HydrophobicContact CE1-CG2 4.04Å; L102-I119 HydrophobicContact CD2-CB 4.27Å; L102-I119 HydrophobicContact CD2-CG2 3.8Å; L102-I119 HydrophobicContact CG-CG2 3.86Å; L105-I119 HydrophobicContact CD1-CB 4.23Å; L105-I119 HydrophobicContact CD1-CD1 3.61Å; L105-I119 HydrophobicContact CD1-CG1 4.05Å; I119-F140 HydrophobicContact CD1-CD1 4.05Å; I119-F140 HydrophobicContact CD1-CE1 4.48Å; I119-F140 HydrophobicContact CG1-CD1 4.36Å; I119-A141 WeakPolarHBondContact CA-O 3.35Å; I119-Y142 HydrophobicContact CB-CD2 4.21Å
120	Q	98.8	Very high	96.3	Very high	80 Å²	80	50.6 Å²	50.6	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147	177	-62.6	176.8	-80.8	0	0	109.6	Y33 T34 I118 F140 A141	Y33-Q120 CarbonylContact O-C 3.57Å; Y33-Q120 VanDerWaalsContact O-CA 3.23Å; Y33-Q120 WeakPolarHBondContact O-CA 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.11Å; I118-Q120 HydrophobicContact CG2-CG 3.93Å; Q120-F140 CarbonylContact O-C 3.54Å; Q120-F140 VanDerWaalsContact O-CA 3.25Å; Q120-F140 WeakPolarHBondContact O-CA 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.42Å; Q120-A141 PolarHBondContact N-O 3.15Å; Q120-A141 PolarHBondContact O-N 2.88Å
121	R	98.8	Very high	96	Very high	37 Å²	37	43.7 Å²	43.7	14%	0.14	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.2	169.9	-177.9	-168.9	-175.4	-170.6	3.1	109.5	F32 Y33 Y98 Y123 D138 Q139 F140	F32-R121 CarbonylContact C-O 3.55Å; F32-R121 WeakPolarHBondContact CA-O 3.2Å; Y33-R121 PolarHBondContact N-O 3.29Å; Y33-R121 PolarHBondContact O-N 3.5Å; Y98-R121 WeakPolarHBondContact OH-CB 3.45Å; Y98-R121 WeakPolarHBondContact OH-CD 3.36Å; R121-Y123 HydrophobicContact CG-CD1 4.21Å; R121-D138 IonicContact CZ-OD1 2.81Å; R121-D138 IonicContact NE-OD1 3.58Å; R121-D138 PolarHBondContact NE-OD1 2.82Å; R121-D138 IonicContact NH2-OD1 3.84Å; R121-D138 PolarHBondContact NH2-OD1 2.96Å; R121-D138 IonicContact NH2-OD2 3.68Å; R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; R121-F140 HydrophobicContact CB-CD1 3.87Å; R121-F140 HydrophobicContact CB-CE1 3.73Å; R121-F140 HydrophobicContact CB-CG 4.36Å; R121-F140 HydrophobicContact CB-CZ 4.09Å; R121-F140 HydrophobicContact CG-CD1 4.14Å; R121-F140 HydrophobicContact CG-CD2 4.14Å; R121-F140 HydrophobicContact CG-CE1 3.79Å; R121-F140 HydrophobicContact CG-CE2 3.74Å; R121-F140 HydrophobicContact CG-CG 4.33Å; R121-F140 HydrophobicContact CG-CZ 3.59Å
122	M	98.8	Very high	95.9	Very high	29 Å²	29	48.8 Å²	48.8	14%	0.143	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.8	163.9	-176.9	-78.4	-65	0	0	108	R30 Y31 F32 H137 D138 Q139	R30-M122 HydrophobicContact CG-SD 4.37Å; Y31-M122 WeakPolarHBondContact O-CA 3.42Å; F32-M122 HydrophobicContact CD1-CB 3.88Å; F32-M122 HydrophobicContact CD1-CG 3.72Å; F32-M122 HydrophobicContact CE1-CB 3.9Å; F32-M122 HydrophobicContact CE1-CG 3.31Å; F32-M122 HydrophobicContact CZ-CG 3.83Å; M122-H137 HydrophobicContact CE-CB 3.92Å; M122-H137 HydrophobicContact SD-CB 3.93Å; M122-D138 CarbonylContact O-C 3.55Å; M122-D138 WeakPolarHBondContact O-CA 3.4Å; M122-Q139 HydrophobicContact CE-CB 4.47Å; M122-Q139 HydrophobicContact CE-CG 4.2Å; M122-Q139 PolarHBondContact N-O 2.86Å; M122-Q139 PolarHBondContact O-N 3.04Å
123	Y	98.8	Very high	96	Very high	22 Å²	22	47.5 Å²	47.5	9%	0.086	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.8	173.8	76.7	-81.4	0	0	0	110.7	Y31 Y33 R121 H137 D138 Y183	Y31-Y123 HydrophobicContact CD2-CE1 4.42Å; Y31-Y123 AromaticContact CD2-CE2 3.87Å; Y31-Y123 HydrophobicContact CD2-CE2 3.87Å; Y31-Y123 AromaticContact CD2-CZ 3.73Å; Y31-Y123 HydrophobicContact CG-CE1 4.11Å; Y31-Y123 HydrophobicContact CG-CE2 4.36Å; Y31-Y123 AromaticContact CG-CZ 3.76Å; Y31-Y123 PolarHBondContact N-O 3.26Å; Y31-Y123 PolarHBondContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD1-CE1 4.41Å; Y33-Y123 HydrophobicContact CD2-CE1 4.29Å; Y33-Y123 AromaticContact CE1-CE1 3.85Å; Y33-Y123 HydrophobicContact CE1-CE1 3.85Å; Y33-Y123 AromaticContact CE2-CE1 3.72Å; Y33-Y123 HydrophobicContact CE2-CE1 3.72Å; Y33-Y123 AromaticContact CZ-CE1 3.48Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.48Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 2.9Å; R121-Y123 HydrophobicContact CG-CD1 4.21Å; Y123-H137 WeakPolarHBondContact CA-O 3.24Å; Y123-H137 WeakPolarHBondContact CB-O 3.4Å; Y123-D138 VanDerWaalsContact CB-OD1 3.28Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.33Å; Y123-Y183 AromaticContact CD2-CE1 3.95Å; Y123-Y183 HydrophobicContact CD2-CE1 3.95Å; Y123-Y183 AromaticContact CE2-CE1 3.78Å; Y123-Y183 HydrophobicContact CE2-CE1 3.78Å
124	G	98.7	Very high	96.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-179.1	-171.1	0	0	0	0	0	114	M29 H137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; G124-H137 PolarHBondContact N-O 3.45Å; G124-H137 PolarHBondContact O-N 3.46Å; G124-L184 WeakPolarHBondContact O-CD2 3.15Å
125	C	98.7	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148.5	177.6	53	0	0	0	0	111.2	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.25Å; M29-C125 PolarHBondContact N-O 2.81Å; M29-C125 PolarHBondContact O-N 3.2Å; C125-L133 HydrophobicContact CB-CD1 3.53Å; C125-R135 CarbonylContact C-O 3.47Å; C125-R135 VanDerWaalsContact CA-O 3.28Å; C125-R135 WeakPolarHBondContact CA-O 3.25Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.19Å; C125-C188 PolarHBondContact N-SG 2.94Å; C125-C188 WeakPolarHBondContact SG-CB 3.13Å; C125-C188 PolarHBondContact SG-O 2.84Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.9Å
126	D	98.4	Very high	96.9	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.6	169.6	-57.4	-39.2	0	0	0	108.7	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.48Å; S28-D126 WeakPolarHBondContact CB-OD1 3.09Å; R30-D126 IonicContact CZ-OD1 2.64Å; R30-D126 IonicContact NH1-OD1 3.53Å; R30-D126 IonicContact NH2-OD1 3.78Å; R30-D126 PolarHBondContact NH2-OD1 3.2Å; R30-D126 IonicContact NH2-OD2 2.79Å; R30-D126 PolarHBondContact NH2-OD2 2.61Å; D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 2.85Å; D126-R135 HydrophobicContact CB-CB 4.26Å; D126-R135 PolarHBondContact N-O 3.41Å; D126-R135 PolarHBondContact O-N 3.17Å; D126-H137 IonicContact OD1-NE2 3.46Å; D126-H137 IonicContact OD2-CD2 2.65Å; D126-H137 IonicContact OD2-CE1 3.41Å; D126-H137 IonicContact OD2-NE2 2.8Å; D126-H137 PolarHBondContact OD2-NE2 2.83Å
127	L	97.8	Very high	97.1	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.8	170.2	-54.8	-177	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 CarbonylContact C-O 3.57Å; S26-L127 WeakPolarHBondContact CA-O 3.49Å; S26-L127 VanDerWaalsContact CB-O 3.26Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å; H27-L127 PolarHBondContact N-O 3.33Å; H27-L127 PolarHBondContact O-N 2.87Å; L127-R132 CarbonylContact C-O 3.59Å; L127-R132 WeakPolarHBondContact CA-O 3.35Å; L127-V189 HydrophobicContact CD1-CG1 4.42Å; L127-V189 HydrophobicContact CD2-CB 4.15Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.8Å; L127-L192 HydrophobicContact CD1-CG 3.79Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.18Å; L127-R193 HydrophobicContact CD1-CG 3.93Å
128	G	95.9	Very high	97.1	Very high	6 Å²	6	41.8 Å²	41.8	6%	0.062	20%	0.203	C	C	.	.			trans	-73.2	175.1	168	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.85Å; G128-D130 VanDerWaalsContact O-N 3.13Å; G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 2.82Å; G128-R132 PolarHBondContact N-O 2.66Å
129	P	91.9	Very high	97.1	Very high	75 Å²	75	42.6 Å²	42.6	49%	0.487	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.6	177.8	-23.3	34.3	0	0	0	114.4	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.48Å; P129-G131 PolarHBondContact O-N 2.74Å
130	D	90.6	Very high	97.1	Very high	93 Å²	93	43.5 Å²	43.5	50%	0.497	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	5.2	173.1	72	-17.5	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.85Å; G128-D130 VanDerWaalsContact O-N 3.13Å; D130-R132 PolarHBondContact O-N 3.47Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 PolarHBondContact OD1-N 2.81Å; D130-R132 VanDerWaalsContact OD1-N 3.09Å; D130-R132 VanDerWaalsContact OD2-CD 3.23Å; D130-R132 WeakPolarHBondContact OD2-CD 3.42Å; D130-R132 WeakPolarHBondContact OD2-CG 3.13Å; D130-R132 IonicContact OD2-CZ 3.56Å; D130-R132 IonicContact OD2-NE 3.17Å; D130-R132 IonicContact OD2-NH1 2.78Å; D130-R132 PolarHBondContact OD2-NH1 3.16Å
131	G	90.7	Very high	97.1	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	70.5	8	-179	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.4Å; G128-G131 PolarHBondContact O-N 2.82Å; P129-G131 PolarHBondContact O-N 2.74Å; G131-R193 VanDerWaalsContact O-CZ 3.3Å; G131-R193 PolarHBondContact O-NE 2.91Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 3.18Å
132	R	95.1	Very high	97.1	Very high	165 Å²	165	39.4 Å²	39.4	62%	0.623	19%	0.194	S	C	*	.	S	Bend	trans	-90.2	157.1	178.6	-61	-170.6	-178.4	124	-9.8	111.4	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.59Å; L127-R132 WeakPolarHBondContact CA-O 3.35Å; G128-R132 PolarHBondContact N-O 2.66Å; D130-R132 PolarHBondContact O-N 3.47Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 PolarHBondContact OD1-N 2.81Å; D130-R132 VanDerWaalsContact OD1-N 3.09Å; D130-R132 VanDerWaalsContact OD2-CD 3.23Å; D130-R132 WeakPolarHBondContact OD2-CD 3.42Å; D130-R132 WeakPolarHBondContact OD2-CG 3.13Å; D130-R132 IonicContact OD2-CZ 3.56Å; D130-R132 IonicContact OD2-NE 3.17Å; D130-R132 IonicContact OD2-NH1 2.78Å; D130-R132 PolarHBondContact OD2-NH1 3.16Å; R132-L134 PolarHBondContact O-N 3.46Å; R132-L134 VanDerWaalsContact O-N 3.12Å
133	L	97.6	Very high	97.1	Very high	52 Å²	52	41 Å²	41	27%	0.272	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	119	174.3	-177.2	70.5	0	0	0	109.6	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.53Å; L133-R135 WeakPolarHBondContact CD1-O 3.2Å; L133-L154 HydrophobicContact CD2-CD1 4.25Å; L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 3.98Å; L133-V189 HydrophobicContact CD1-CG2 4.18Å
134	L	97.6	Very high	97	Very high	115 Å²	115	42.9 Å²	42.9	60%	0.602	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	-42.1	171.4	178.1	61.8	0	0	0	110.5	D126 R132	D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 2.85Å; R132-L134 PolarHBondContact O-N 3.46Å; R132-L134 VanDerWaalsContact O-N 3.12Å
135	R	98	Very high	97	Very high	82 Å²	82	50.6 Å²	50.6	31%	0.309	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	137.4	-177.5	-173.3	175.6	-176	101.5	-0.8	112.1	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.47Å; C125-R135 VanDerWaalsContact CA-O 3.28Å; C125-R135 WeakPolarHBondContact CA-O 3.25Å; D126-R135 HydrophobicContact CB-CB 4.26Å; D126-R135 PolarHBondContact N-O 3.41Å; D126-R135 PolarHBondContact O-N 3.17Å; L133-R135 WeakPolarHBondContact CD1-O 3.2Å; R135-H137 WeakPolarHBondContact CD-CE1 3.28Å; R135-H137 PolarHBondContact NE-CE1 3.4Å; R135-E152 IonicContact CZ-OE1 3.45Å; R135-E152 IonicContact NH1-OE1 3.31Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH1-OE2 3.97Å; R135-E152 PolarHBondContact NH1-OE2 2.97Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 2.71Å; R135-E152 PolarHBondContact NH2-OE1 3.36Å
136	G	98.6	Very high	97	Very high	6 Å²	6	57 Å²	57	6%	0.062	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.8	166.5	0	0	0	0	0	111.5
137	H	98.6	Very high	97	Very high	18 Å²	18	56.2 Å²	56.2	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.7	-179.3	-56.4	-94.2	0	0	0	110.8	M122 Y123 G124 D126 R135	M122-H137 HydrophobicContact CE-CB 3.92Å; M122-H137 HydrophobicContact SD-CB 3.93Å; Y123-H137 WeakPolarHBondContact CA-O 3.24Å; Y123-H137 WeakPolarHBondContact CB-O 3.4Å; G124-H137 PolarHBondContact N-O 3.45Å; G124-H137 PolarHBondContact O-N 3.46Å; D126-H137 IonicContact OD1-NE2 3.46Å; D126-H137 IonicContact OD2-CD2 2.65Å; D126-H137 IonicContact OD2-CE1 3.41Å; D126-H137 IonicContact OD2-NE2 2.8Å; D126-H137 PolarHBondContact OD2-NE2 2.83Å; R135-H137 WeakPolarHBondContact CD-CE1 3.28Å; R135-H137 PolarHBondContact NE-CE1 3.4Å
138	D	98.7	Very high	97.1	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.011	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	110.7	164.1	-169.9	67.8	0	0	0	109	R121 M122 Y123 F140 A149 L150 L180	R121-D138 IonicContact CZ-OD1 2.81Å; R121-D138 IonicContact NE-OD1 3.58Å; R121-D138 PolarHBondContact NE-OD1 2.82Å; R121-D138 IonicContact NH2-OD1 3.84Å; R121-D138 PolarHBondContact NH2-OD1 2.96Å; R121-D138 IonicContact NH2-OD2 3.68Å; M122-D138 CarbonylContact O-C 3.55Å; M122-D138 WeakPolarHBondContact O-CA 3.4Å; Y123-D138 VanDerWaalsContact CB-OD1 3.28Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.33Å; D138-F140 WeakPolarHBondContact OD2-CE2 3.21Å; D138-A149 WeakPolarHBondContact O-CA 3.49Å; D138-L150 HydrophobicContact CB-CB 3.86Å; D138-L150 HydrophobicContact CB-CD2 4.11Å; D138-L150 PolarHBondContact O-N 3.47Å; D138-L180 HydrophobicContact CB-CD1 4.28Å
139	Q	98.7	Very high	97.2	Very high	78 Å²	78	57.2 Å²	57.2	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138	-172	-60.4	178.9	-4.7	0	0	110	R121 M122 A149	R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; M122-Q139 HydrophobicContact CE-CB 4.47Å; M122-Q139 HydrophobicContact CE-CG 4.2Å; M122-Q139 PolarHBondContact N-O 2.86Å; M122-Q139 PolarHBondContact O-N 3.04Å; Q139-A149 HydrophobicContact CB-CB 4.44Å; Q139-A149 HydrophobicContact CG-CB 3.9Å
140	F	98.8	Very high	97.6	Very high	25 Å²	25	54.2 Å²	54.2	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.3	176.3	-71.7	-103	0	0	0	110.9	Y98 I119 Q120 R121 D138 Y147 I148 W171	Y98-F140 WeakPolarHBondContact OH-CE1 3.18Å; I119-F140 HydrophobicContact CD1-CD1 4.05Å; I119-F140 HydrophobicContact CD1-CE1 4.48Å; I119-F140 HydrophobicContact CG1-CD1 4.36Å; Q120-F140 CarbonylContact O-C 3.54Å; Q120-F140 VanDerWaalsContact O-CA 3.25Å; Q120-F140 WeakPolarHBondContact O-CA 3.38Å; R121-F140 HydrophobicContact CB-CD1 3.87Å; R121-F140 HydrophobicContact CB-CE1 3.73Å; R121-F140 HydrophobicContact CB-CG 4.36Å; R121-F140 HydrophobicContact CB-CZ 4.09Å; R121-F140 HydrophobicContact CG-CD1 4.14Å; R121-F140 HydrophobicContact CG-CD2 4.14Å; R121-F140 HydrophobicContact CG-CE1 3.79Å; R121-F140 HydrophobicContact CG-CE2 3.74Å; R121-F140 HydrophobicContact CG-CG 4.33Å; R121-F140 HydrophobicContact CG-CZ 3.59Å; D138-F140 WeakPolarHBondContact OD2-CE2 3.21Å; F140-Y147 HydrophobicContact CB-CD1 4.33Å; F140-Y147 WeakPolarHBondContact O-CB 3.38Å; F140-Y147 PolarHBondContact O-N 2.86Å; F140-I148 HydrophobicContact CB-CG2 4.09Å; F140-I148 HydrophobicContact CD2-CG2 4.2Å; F140-I148 HydrophobicContact CG-CG2 4.42Å; F140-I148 PolarHBondContact N-O 3.19Å; F140-I148 PolarHBondContact O-N 3.15Å; F140-W171 AromaticContact CD2-CH2 3.9Å; F140-W171 HydrophobicContact CD2-CH2 3.9Å; F140-W171 HydrophobicContact CD2-CZ3 4.33Å; F140-W171 AromaticContact CE2-CH2 3.46Å; F140-W171 HydrophobicContact CE2-CH2 3.46Å; F140-W171 VanDerWaalsContact CE2-CH2 3.46Å; F140-W171 HydrophobicContact CE2-CZ3 4.07Å; F140-W171 AromaticContact CZ-CH2 3.84Å; F140-W171 HydrophobicContact CZ-CH2 3.84Å
141	A	98.8	Very high	97.9	Very high	19 Å²	19	51.9 Å²	51.9	16%	0.157	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.4	170.7	0	0	0	0	0	110.3	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.35Å; Q120-A141 HydrophobicContact CB-CB 4.42Å; Q120-A141 PolarHBondContact N-O 3.15Å; Q120-A141 PolarHBondContact O-N 2.88Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.46Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.2Å
142	Y	98.8	Very high	98.3	Very high	11 Å²	11	58.3 Å²	58.3	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.3	176	-173.6	-123.2	0	0	0	110.1	L102 L105 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.29Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.25Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 3.98Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Q111-Y142 PolarHBondContact OE1-OH 3.49Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.16Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 PolarHBondContact ND1-OH 3.49Å; I118-Y142 CarbonylContact O-C 3.57Å; I118-Y142 WeakPolarHBondContact O-CA 3.39Å; I118-Y142 WeakPolarHBondContact O-CD2 3.47Å; I119-Y142 HydrophobicContact CB-CD2 4.21Å; Y142-G144 PolarHBondContact O-N 2.83Å; Y142-K145 PolarHBondContact N-O 2.96Å; Y142-K145 PolarHBondContact O-N 2.86Å
143	D	98.2	Very high	98.4	Very high	63 Å²	63	54.4 Å²	54.4	34%	0.337	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	39.8	-174.6	-65.9	-20.1	0	0	0	113.2	Q111 H117 I118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.83Å; H117-D143 WeakPolarHBondContact CA-OD1 3.04Å; H117-D143 IonicContact CE1-OD2 3.97Å; H117-D143 IonicContact CG-OD1 3.55Å; H117-D143 IonicContact CG-OD2 2.97Å; H117-D143 IonicContact ND1-OD1 3.26Å; H117-D143 IonicContact ND1-OD2 2.96Å; H117-D143 PolarHBondContact ND1-OD2 3.46Å; I118-D143 PolarHBondContact N-OD1 3.22Å; I118-D143 PolarHBondContact O-N 3.3Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.49Å
144	G	97.3	Very high	98.4	Very high	62 Å²	62	52.4 Å²	52.4	64%	0.639	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	7.6	177.5	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.83Å
145	K	98.5	Very high	98.5	Very high	162 Å²	162	50 Å²	50	70%	0.704	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	149	176.4	-59.7	-178.4	-176.6	177.5	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.46Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.2Å; Y142-K145 PolarHBondContact N-O 2.96Å; Y142-K145 PolarHBondContact O-N 2.86Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.49Å; K145-Y147 PolarHBondContact O-N 2.89Å
146	D	98.7	Very high	98.5	Very high	133 Å²	133	47.9 Å²	47.9	71%	0.711	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.9	137.6	173	-64.8	-18.5	0	0	0	110.4	A160	D146-A160 HydrophobicContact CB-CB 4.19Å; D146-A160 WeakPolarHBondContact O-CB 3.08Å
147	Y	98.8	Very high	98.5	Very high	8 Å²	8	48 Å²	48	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-65.3	179.1	-178.8	-109.7	0	0	0	110.6	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.41Å; L105-Y147 HydrophobicContact CD2-CD2 4.19Å; L105-Y147 HydrophobicContact CD2-CE1 3.77Å; L105-Y147 HydrophobicContact CD2-CE2 3.49Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.49Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.24Å; Y109-Y147 HydrophobicContact CE2-CD2 4.3Å; Y109-Y147 AromaticContact CE2-CE2 3.94Å; Y109-Y147 HydrophobicContact CE2-CE2 3.94Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.34Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.4Å; F140-Y147 HydrophobicContact CB-CD1 4.33Å; F140-Y147 WeakPolarHBondContact O-CB 3.38Å; F140-Y147 PolarHBondContact O-N 2.86Å; K145-Y147 PolarHBondContact O-N 2.89Å; Y147-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 PolarHBondContact O-N 3.14Å; Y147-A163 PolarHBondContact OH-O 3.3Å; Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.23Å; Y147-T167 HydrophobicContact CE1-CG2 4.28Å; Y147-T167 PolarHBondContact OH-OG1 3.28Å
148	I	98.8	Very high	98.5	Very high	4 Å²	4	51 Å²	51	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	142.4	177.7	-163.6	173.6	0	0	0	110.5	F140 W157 T158 T167 Q168 W171	F140-I148 HydrophobicContact CB-CG2 4.09Å; F140-I148 HydrophobicContact CD2-CG2 4.2Å; F140-I148 HydrophobicContact CG-CG2 4.42Å; F140-I148 PolarHBondContact N-O 3.19Å; F140-I148 PolarHBondContact O-N 3.15Å; I148-W157 HydrophobicContact CD1-CB 4.17Å; I148-W157 HydrophobicContact CD1-CD2 4.36Å; I148-W157 HydrophobicContact CD1-CE3 4.14Å; I148-W157 HydrophobicContact CD1-CG 4.39Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; I148-T158 WeakPolarHBondContact CA-O 3.22Å; I148-T158 WeakPolarHBondContact CG1-O 3.38Å; I148-T167 HydrophobicContact CD1-CG2 4.11Å; I148-T167 HydrophobicContact CG2-CG2 4.49Å; I148-Q168 HydrophobicContact CD1-CB 3.86Å; I148-W171 HydrophobicContact CD1-CE3 4.26Å; I148-W171 HydrophobicContact CG2-CH2 4.26Å; I148-W171 HydrophobicContact CG2-CZ3 3.93Å
149	A	98.9	Very high	98.5	Very high	26 Å²	26	52 Å²	52	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.8	179.8	0	0	0	0	0	111.7	D138 Q139 W157 T158	D138-A149 WeakPolarHBondContact O-CA 3.49Å; Q139-A149 HydrophobicContact CB-CB 4.44Å; Q139-A149 HydrophobicContact CG-CB 3.9Å; A149-W157 CarbonylContact O-C 3.5Å; A149-W157 WeakPolarHBondContact O-CA 3.35Å; A149-T158 PolarHBondContact N-O 3.38Å; A149-T158 PolarHBondContact O-N 3.13Å
150	L	98.9	Very high	98.5	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.5	168.6	-176.1	67.6	0	0	0	108.9	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.86Å; D138-L150 HydrophobicContact CB-CD2 4.11Å; D138-L150 PolarHBondContact O-N 3.47Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.11Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.36Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.26Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-L180 HydrophobicContact CD2-CB 4.3Å; L150-L180 HydrophobicContact CD2-CD1 4.48Å; L150-L184 HydrophobicContact CD2-CD1 3.84Å
151	N	98.8	Very high	98.5	Very high	43 Å²	43	52.6 Å²	52.6	23%	0.23	31%	0.31	C	S	.	.			trans	-76.2	164.4	179	-67.4	-26.3	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.22Å; N151-D153 VanDerWaalsContact O-N 3.13Å; N151-L154 PolarHBondContact O-N 3.33Å; N151-S156 WeakPolarHBondContact CB-O 3.26Å; N151-S156 WeakPolarHBondContact CB-OG 3.14Å; N151-S156 PolarHBondContact N-O 3.28Å; N151-S156 PolarHBondContact ND2-OG 2.94Å; N151-T158 PolarHBondContact ND2-OG1 2.81Å; N151-T158 WeakPolarHBondContact OD1-CB 3.32Å; N151-T158 PolarHBondContact OD1-OG1 2.64Å
152	E	97.9	Very high	98.5	Very high	138 Å²	138	56.9 Å²	56.9	65%	0.645	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	-176.9	-54.8	-170.5	175.7	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 3.45Å; R135-E152 IonicContact NH1-OE1 3.31Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH1-OE2 3.97Å; R135-E152 PolarHBondContact NH1-OE2 2.97Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 2.71Å; R135-E152 PolarHBondContact NH2-OE1 3.36Å; E152-L154 PolarHBondContact O-N 3.34Å
153	D	98	Very high	98.4	Very high	83 Å²	83	56.9 Å²	56.9	44%	0.444	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.1	174.9	67.6	23.1	0	0	0	113.8	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.22Å; N151-D153 VanDerWaalsContact O-N 3.13Å; D153-S155 PolarHBondContact O-N 3.18Å; D153-S155 VanDerWaalsContact O-N 3.11Å; D153-S155 WeakPolarHBondContact OD1-CA 3.36Å; D153-S155 PolarHBondContact OD1-N 2.94Å; D153-S155 PolarHBondContact OD1-OG 2.96Å; D153-S155 PolarHBondContact OD2-OG 3.13Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.93Å; D153-S156 PolarHBondContact OD1-OG 2.65Å; D153-S156 VanDerWaalsContact OD1-OG 3.14Å; D153-S156 PolarHBondContact OD2-OG 3.44Å
154	L	98.3	Very high	98.4	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.058	32%	0.321	C	S	.	.	S	Bend	trans	52.2	29.7	-177.7	-53.7	-177.1	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.25Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 PolarHBondContact O-N 3.33Å; E152-L154 PolarHBondContact O-N 3.34Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.13Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.28Å
155	S	98	Very high	98.5	Very high	64 Å²	64	54.4 Å²	54.4	45%	0.448	31%	0.306	S	S	.	.	S	Bend	trans	-140	-26.9	-174.9	69.9	0	0	0	0	113.5	D153	D153-S155 PolarHBondContact O-N 3.18Å; D153-S155 VanDerWaalsContact O-N 3.11Å; D153-S155 WeakPolarHBondContact OD1-CA 3.36Å; D153-S155 PolarHBondContact OD1-N 2.94Å; D153-S155 PolarHBondContact OD1-OG 2.96Å; D153-S155 PolarHBondContact OD2-OG 3.13Å
156	S	98.3	Very high	98.5	Very high	37 Å²	37	49.6 Å²	49.6	26%	0.259	29%	0.288	S	S	.	.			trans	-117.7	163.6	-178.7	70.1	0	0	0	0	112.1	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.26Å; N151-S156 WeakPolarHBondContact CB-OG 3.14Å; N151-S156 PolarHBondContact N-O 3.28Å; N151-S156 PolarHBondContact ND2-OG 2.94Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.93Å; D153-S156 PolarHBondContact OD1-OG 2.65Å; D153-S156 VanDerWaalsContact OD1-OG 3.14Å; D153-S156 PolarHBondContact OD2-OG 3.44Å
157	W	98.8	Very high	98.5	Very high	10 Å²	10	44 Å²	44	4%	0.038	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.1	-175.9	-62.2	92.5	0	0	0	111.2	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.17Å; I148-W157 HydrophobicContact CD1-CD2 4.36Å; I148-W157 HydrophobicContact CD1-CE3 4.14Å; I148-W157 HydrophobicContact CD1-CG 4.39Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; A149-W157 CarbonylContact O-C 3.5Å; A149-W157 WeakPolarHBondContact O-CA 3.35Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.11Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.36Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.26Å; W157-Q168 HydrophobicContact CB-CG 4.13Å; W157-Q168 PolarHBondContact O-NE2 2.84Å; W157-Q168 VanDerWaalsContact O-NE2 3.13Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.81Å; W157-W171 AromaticContact CE3-CE3 3.92Å; W157-W171 HydrophobicContact CE3-CE3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 4.01Å; W157-W171 AromaticContact CH2-CE3 3.33Å; W157-W171 HydrophobicContact CH2-CE3 3.33Å; W157-W171 AromaticContact CH2-CZ3 3.33Å; W157-W171 HydrophobicContact CH2-CZ3 3.33Å; W157-W171 HydrophobicContact CZ2-CD2 4.42Å; W157-W171 AromaticContact CZ2-CE3 3.46Å; W157-W171 HydrophobicContact CZ2-CE3 3.46Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.46Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.36Å; W157-W171 HydrophobicContact CZ3-CZ3 3.36Å; W157-V176 HydrophobicContact CZ2-CB 4.4Å; W157-V176 HydrophobicContact CZ2-CG1 4.13Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.74Å
158	T	98.8	Very high	98.5	Very high	80 Å²	80	45.5 Å²	45.5	49%	0.491	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.3	166.7	-66	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.22Å; I148-T158 WeakPolarHBondContact CG1-O 3.38Å; A149-T158 PolarHBondContact N-O 3.38Å; A149-T158 PolarHBondContact O-N 3.13Å; N151-T158 PolarHBondContact ND2-OG1 2.81Å; N151-T158 WeakPolarHBondContact OD1-CB 3.32Å; N151-T158 PolarHBondContact OD1-OG1 2.64Å
159	A	98.8	Very high	98.5	Very high	23 Å²	23	53 Å²	53	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.6	174.6	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.75Å; A159-Q165 HydrophobicContact CB-CG 3.99Å; A159-Q168 HydrophobicContact CB-CB 4.34Å
160	A	98.6	Very high	98.5	Very high	59 Å²	59	57.2 Å²	57.2	49%	0.488	31%	0.308	S	S	.	.	S	Bend	trans	-77.8	-30.8	-175.7	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.19Å; D146-A160 WeakPolarHBondContact O-CB 3.08Å; Y147-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 PolarHBondContact O-N 3.14Å
161	D	98.4	Very high	98.4	Very high	57 Å²	57	59.6 Å²	59.6	31%	0.305	32%	0.316	S	S	.	.	S	Bend	trans	-149.7	-177.6	-178.5	67.8	24	0	0	0	113.1	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.36Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.42Å; Y109-D161 VanDerWaalsContact OH-OD1 3.12Å; Y109-D161 PolarHBondContact OH-OD2 2.79Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.62Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 2.91Å; D161-A164 PolarHBondContact O-N 2.82Å; D161-A164 PolarHBondContact OD1-N 2.94Å; D161-Q165 WeakPolarHBondContact O-CG 2.98Å; D161-Q165 PolarHBondContact O-N 2.83Å
162	T	98.3	Very high	98.4	Very high	109 Å²	109	61.9 Å²	61.9	67%	0.669	33%	0.325	S	S	*	.	H	α-helix	trans	-63.5	-31.4	-179.2	-51.8	0	0	0	0	113.2	Q165	T162-Q165 PolarHBondContact O-N 3.11Å
163	A	98	Very high	98.5	Very high	11 Å²	11	59.4 Å²	59.4	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-71.3	-42.2	176.3	0	0	0	0	0	110.4	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.12Å; Y109-A163 HydrophobicContact CD2-CB 4.3Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.79Å; Y109-A163 HydrophobicContact CG-CB 4.44Å; Y109-A163 VanDerWaalsContact CZ-CB 3.43Å; Y147-A163 PolarHBondContact OH-O 3.3Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.62Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 2.91Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.88Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 2.89Å
164	A	98.6	Very high	98.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-33.2	174.4	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 HydrophobicContact CE1-CB 4.47Å; Y147-A164 VanDerWaalsContact CE2-CA 3.5Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.23Å; A159-A164 HydrophobicContact CB-CB 3.75Å; D161-A164 PolarHBondContact O-N 2.82Å; D161-A164 PolarHBondContact OD1-N 2.94Å; A164-I166 PolarHBondContact O-N 2.75Å; A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 2.96Å; A164-Q168 PolarHBondContact O-N 3.12Å
165	Q	98.8	Very high	98.5	Very high	72 Å²	72	65 Å²	65	34%	0.336	36%	0.355	S	S	.	.	H	α-helix	trans	-60.6	-26.4	173.7	-72.2	176	-0.4	0	0	113	A159 D161 T162 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.99Å; D161-Q165 WeakPolarHBondContact O-CG 2.98Å; D161-Q165 PolarHBondContact O-N 2.83Å; T162-Q165 PolarHBondContact O-N 3.11Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.88Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.47Å; Q165-R169 PolarHBondContact O-N 3.32Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.4	Very high	98.5	Very high	61 Å²	61	63.4 Å²	63.4	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-66	-45.8	173.6	-56.6	171.4	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.17Å; Y108-I166 HydrophobicContact CE1-CG2 4.05Å; Y108-I166 HydrophobicContact CE2-CB 4.35Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; A163-I166 VanDerWaalsContact O-CB 3.23Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 2.89Å; A164-I166 PolarHBondContact O-N 2.75Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 3.39Å
167	T	98.4	Very high	98.5	Very high	17 Å²	17	62 Å²	62	10%	0.104	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-46	175.2	-69	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.28Å; Y147-T167 PolarHBondContact OH-OG1 3.28Å; I148-T167 HydrophobicContact CD1-CG2 4.11Å; I148-T167 HydrophobicContact CG2-CG2 4.49Å; A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 2.96Å; T167-R169 PolarHBondContact O-N 2.98Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 2.81Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.71Å; T167-W171 HydrophobicContact CG2-CE3 4.16Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.3Å; T167-W171 HydrophobicContact CG2-CZ2 3.88Å; T167-W171 HydrophobicContact CG2-CZ3 4.43Å; T167-W171 PolarHBondContact O-N 2.8Å
168	Q	98.8	Very high	98.5	Very high	39 Å²	39	65.1 Å²	65.1	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-51.5	-54.8	179	177.8	174.5	21.2	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.86Å; W157-Q168 HydrophobicContact CB-CG 4.13Å; W157-Q168 PolarHBondContact O-NE2 2.84Å; W157-Q168 VanDerWaalsContact O-NE2 3.13Å; A159-Q168 HydrophobicContact CB-CB 4.34Å; A164-Q168 PolarHBondContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.15Å; Q168-W171 PolarHBondContact O-N 3.44Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.35Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.39Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.4Å; Q168-E172 WeakPolarHBondContact O-CG 3.43Å; Q168-E172 PolarHBondContact O-N 3.37Å
169	R	98.7	Very high	98.4	Very high	161 Å²	161	68 Å²	68	61%	0.608	36%	0.356	S	S	*	.	H	α-helix	trans	-59.7	-38.5	-179.2	-67.8	171.7	-166.8	158.8	7.7	112.4	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.47Å; Q165-R169 PolarHBondContact O-N 3.32Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 2.98Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.27Å; R169-A173 PolarHBondContact O-N 3.46Å
170	K	98.3	Very high	98.4	Very high	115 Å²	115	68 Å²	68	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-42.9	176.6	-72.6	178.1	176.6	-174.5	0	111.6	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.85Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 3.39Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 2.81Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.15Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 3.31Å
171	W	98.4	Very high	98.4	Very high	62 Å²	62	69.5 Å²	69.5	24%	0.235	35%	0.345	C	S	.	.	H	α-helix	trans	-72.5	-36.7	-178.4	-76.4	9.3	0	0	0	112.9	F140 I148 W157 T167 Q168 A174 R175 V176	F140-W171 AromaticContact CD2-CH2 3.9Å; F140-W171 HydrophobicContact CD2-CH2 3.9Å; F140-W171 HydrophobicContact CD2-CZ3 4.33Å; F140-W171 AromaticContact CE2-CH2 3.46Å; F140-W171 HydrophobicContact CE2-CH2 3.46Å; F140-W171 VanDerWaalsContact CE2-CH2 3.46Å; F140-W171 HydrophobicContact CE2-CZ3 4.07Å; F140-W171 AromaticContact CZ-CH2 3.84Å; F140-W171 HydrophobicContact CZ-CH2 3.84Å; I148-W171 HydrophobicContact CD1-CE3 4.26Å; I148-W171 HydrophobicContact CG2-CH2 4.26Å; I148-W171 HydrophobicContact CG2-CZ3 3.93Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.81Å; W157-W171 AromaticContact CE3-CE3 3.92Å; W157-W171 HydrophobicContact CE3-CE3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 4.01Å; W157-W171 AromaticContact CH2-CE3 3.33Å; W157-W171 HydrophobicContact CH2-CE3 3.33Å; W157-W171 AromaticContact CH2-CZ3 3.33Å; W157-W171 HydrophobicContact CH2-CZ3 3.33Å; W157-W171 HydrophobicContact CZ2-CD2 4.42Å; W157-W171 AromaticContact CZ2-CE3 3.46Å; W157-W171 HydrophobicContact CZ2-CE3 3.46Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.46Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.59Å; W157-W171 HydrophobicContact CZ3-CE3 3.59Å; W157-W171 AromaticContact CZ3-CZ3 3.36Å; W157-W171 HydrophobicContact CZ3-CZ3 3.36Å; T167-W171 HydrophobicContact CG2-CD2 3.71Å; T167-W171 HydrophobicContact CG2-CE3 4.16Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.3Å; T167-W171 HydrophobicContact CG2-CZ2 3.88Å; T167-W171 HydrophobicContact CG2-CZ3 4.43Å; T167-W171 PolarHBondContact O-N 2.8Å; Q168-W171 PolarHBondContact O-N 3.44Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 3.09Å; W171-R175 PolarHBondContact O-N 3.06Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CE3-CG1 4.5Å; W171-V176 HydrophobicContact CG-CB 4.14Å; W171-V176 HydrophobicContact CG-CG1 4.42Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 3.41Å
172	E	98.6	Very high	98.4	Very high	91 Å²	91	69.9 Å²	69.9	43%	0.425	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-48.3	171.8	-72.7	169.5	176.3	0	0	110.8	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.35Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.39Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.4Å; Q168-E172 WeakPolarHBondContact O-CG 3.43Å; Q168-E172 PolarHBondContact O-N 3.37Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.19Å; E172-R175 PolarHBondContact O-N 3.1Å
173	A	98.5	Very high	98.4	Very high	86 Å²	86	67.4 Å²	67.4	71%	0.711	34%	0.335	S	S	*	.	H	α-helix	trans	-60.6	-35.8	176.5	0	0	0	0	0	112.8	R169 R175	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.27Å; R169-A173 PolarHBondContact O-N 3.46Å; A173-R175 VanDerWaalsContact C-N 3.33Å
174	A	98.3	Very high	98.4	Very high	59 Å²	59	67 Å²	67	49%	0.488	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.6	177.1	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 3.31Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 3.09Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.19Å; A174-V176 HydrophobicContact CB-CG2 3.99Å; A174-V176 PolarHBondContact O-N 3.12Å
175	R	98.1	Very high	98.4	Very high	152 Å²	152	72.1 Å²	72.1	57%	0.574	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.4	-178.9	-56.7	174.9	71.5	-173.6	1.1	113.3	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 3.06Å; E172-R175 PolarHBondContact O-N 3.1Å; A173-R175 VanDerWaalsContact C-N 3.33Å; R175-A177 PolarHBondContact O-N 3.31Å; R175-E178 HydrophobicContact CB-CG 4.42Å; R175-E178 VanDerWaalsContact CZ-CD 3.48Å; R175-E178 IonicContact CZ-OE1 2.72Å; R175-E178 IonicContact CZ-OE2 2.76Å; R175-E178 IonicContact NE-OE1 2.84Å; R175-E178 PolarHBondContact NE-OE1 3.42Å; R175-E178 IonicContact NE-OE2 2.68Å; R175-E178 PolarHBondContact NE-OE2 3.35Å; R175-E178 VanDerWaalsContact NE-OE2 3.13Å; R175-E178 IonicContact NH2-OE1 3.08Å; R175-E178 PolarHBondContact NH2-OE1 2.79Å; R175-E178 IonicContact NH2-OE2 3.85Å; R175-E178 PolarHBondContact NH2-OE2 3.33Å; R175-E178 PolarHBondContact O-N 3.27Å; R175-E178 VanDerWaalsContact O-N 3.13Å
176	V	98.4	Very high	98.4	Very high	30 Å²	30	69.8 Å²	69.8	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-35.9	-176.5	175.5	0	0	0	0	112	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.4Å; W157-V176 HydrophobicContact CZ2-CG1 4.13Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CE3-CG1 4.5Å; W171-V176 HydrophobicContact CG-CB 4.14Å; W171-V176 HydrophobicContact CG-CG1 4.42Å; W171-V176 HydrophobicContact CG-CG2 3.87Å; W171-V176 PolarHBondContact O-N 3.41Å; A174-V176 HydrophobicContact CB-CG2 3.99Å; A174-V176 PolarHBondContact O-N 3.12Å; V176-E178 PolarHBondContact O-N 2.91Å; V176-Q179 PolarHBondContact O-N 2.9Å; V176-Q179 VanDerWaalsContact O-N 3.16Å; V176-L180 HydrophobicContact CG1-CD1 3.99Å; V176-L180 HydrophobicContact CG1-CG 4.33Å; V176-L180 PolarHBondContact O-N 2.85Å; V176-L180 VanDerWaalsContact O-N 3.14Å
177	A	98.6	Very high	98.3	Very high	7 Å²	7	70.2 Å²	70.2	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-57.5	-33.5	178.9	0	0	0	0	0	112.7	L150 W157 R175 L180 R181	L150-A177 HydrophobicContact CD1-CB 4Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; R175-A177 PolarHBondContact O-N 3.31Å; A177-L180 PolarHBondContact O-N 3.27Å; A177-R181 VanDerWaalsContact O-CB 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.28Å; A177-R181 PolarHBondContact O-N 3.14Å
178	E	98.3	Very high	98.3	Very high	77 Å²	77	69.4 Å²	69.4	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-37.9	-179.9	-63.9	178.2	-168.8	0	0	112.6	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.42Å; R175-E178 VanDerWaalsContact CZ-CD 3.48Å; R175-E178 IonicContact CZ-OE1 2.72Å; R175-E178 IonicContact CZ-OE2 2.76Å; R175-E178 IonicContact NE-OE1 2.84Å; R175-E178 PolarHBondContact NE-OE1 3.42Å; R175-E178 IonicContact NE-OE2 2.68Å; R175-E178 PolarHBondContact NE-OE2 3.35Å; R175-E178 VanDerWaalsContact NE-OE2 3.13Å; R175-E178 IonicContact NH2-OE1 3.08Å; R175-E178 PolarHBondContact NH2-OE1 2.79Å; R175-E178 IonicContact NH2-OE2 3.85Å; R175-E178 PolarHBondContact NH2-OE2 3.33Å; R175-E178 PolarHBondContact O-N 3.27Å; R175-E178 VanDerWaalsContact O-N 3.13Å; V176-E178 PolarHBondContact O-N 2.91Å; E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 3.3Å
179	Q	97.5	Very high	98.3	Very high	139 Å²	139	68 Å²	68	65%	0.65	34%	0.342	S	S	*	.	H	α-helix	trans	-67.2	-41.5	175.9	-60.7	178.9	13.5	0	0	110.7	V176 A182 Y183	V176-Q179 PolarHBondContact O-N 2.9Å; V176-Q179 VanDerWaalsContact O-N 3.16Å; Q179-A182 PolarHBondContact O-N 3.1Å; Q179-Y183 PolarHBondContact O-N 3.4Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å
180	L	98.3	Very high	98.3	Very high	24 Å²	24	65.9 Å²	65.9	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-66.2	-44.2	176.4	-68.7	173	0	0	0	111.4	D138 L150 W157 V176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.28Å; L150-L180 HydrophobicContact CD2-CB 4.3Å; L150-L180 HydrophobicContact CD2-CD1 4.48Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.74Å; V176-L180 HydrophobicContact CG1-CD1 3.99Å; V176-L180 HydrophobicContact CG1-CG 4.33Å; V176-L180 PolarHBondContact O-N 2.85Å; V176-L180 VanDerWaalsContact O-N 3.14Å; A177-L180 PolarHBondContact O-N 3.27Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.96Å; L180-Y183 WeakPolarHBondContact O-CB 3.27Å; L180-Y183 PolarHBondContact O-N 3.12Å; L180-Y183 VanDerWaalsContact O-N 3.15Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 3.26Å
181	R	98.4	Very high	98.3	Very high	90 Å²	90	62.9 Å²	62.9	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-57.3	-47.4	174.8	-175.6	174.2	65.5	-164	-2	111.4	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.13Å; A177-R181 VanDerWaalsContact O-CB 3.29Å; A177-R181 WeakPolarHBondContact O-CB 3.28Å; A177-R181 PolarHBondContact O-N 3.14Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 3.26Å; R181-L184 PolarHBondContact O-N 2.87Å; R181-L184 VanDerWaalsContact O-N 3.16Å; R181-E185 WeakPolarHBondContact CD-OE1 3.44Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 VanDerWaalsContact CG-OE1 3.27Å; R181-E185 WeakPolarHBondContact CG-OE1 3.44Å; R181-E185 WeakPolarHBondContact CG-OE2 3.35Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 WeakPolarHBondContact O-CG 3.32Å; R181-E185 PolarHBondContact O-N 3.2Å
182	A	98.5	Very high	98.3	Very high	65 Å²	65	60 Å²	60	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-38.5	177	0	0	0	0	0	112.7	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.48Å; E178-A182 PolarHBondContact O-N 3.3Å; Q179-A182 PolarHBondContact O-N 3.1Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.96Å; A182-G186 PolarHBondContact O-N 2.98Å
183	Y	98.3	Very high	98.2	Very high	57 Å²	57	60.6 Å²	60.6	22%	0.224	31%	0.312	C	S	.	.	I	π-helix	trans	-67.7	-47.6	173.3	170.6	-97.5	0	0	0	112.4	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.95Å; Y123-Y183 HydrophobicContact CD2-CE1 3.95Å; Y123-Y183 AromaticContact CE2-CE1 3.78Å; Y123-Y183 HydrophobicContact CE2-CE1 3.78Å; Q179-Y183 PolarHBondContact O-N 3.4Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å; L180-Y183 WeakPolarHBondContact O-CB 3.27Å; L180-Y183 PolarHBondContact O-N 3.12Å; L180-Y183 VanDerWaalsContact O-N 3.15Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 3.26Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.26Å; Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.24Å; Y183-L187 HydrophobicContact CE2-CB 4.03Å; Y183-L187 PolarHBondContact O-N 3.04Å; Y183-L187 VanDerWaalsContact O-N 3.15Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.48Å; Y183-C188 PolarHBondContact O-N 3.07Å
184	L	98.6	Very high	98.1	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	30%	0.3	C	S	.	.	I	π-helix	trans	-68.6	-38.4	-174	-70	169.2	0	0	0	112.3	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.15Å; L150-L184 HydrophobicContact CD2-CD1 3.84Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L180-L184 WeakPolarHBondContact O-CB 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 3.26Å; R181-L184 PolarHBondContact O-N 2.87Å; R181-L184 VanDerWaalsContact O-N 3.16Å; L184-V189 WeakPolarHBondContact O-CG2 3.48Å
185	E	98.3	Very high	98	Very high	109 Å²	109	59.5 Å²	59.5	51%	0.509	28%	0.277	S	S	.	.	I	π-helix	trans	-80.7	-25.6	177.8	-67.7	176	170.4	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.28Å; R181-E185 WeakPolarHBondContact CD-OE1 3.44Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 VanDerWaalsContact CG-OE1 3.27Å; R181-E185 WeakPolarHBondContact CG-OE1 3.44Å; R181-E185 WeakPolarHBondContact CG-OE2 3.35Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 WeakPolarHBondContact O-CG 3.32Å; R181-E185 PolarHBondContact O-N 3.2Å
186	G	98.1	Very high	97.8	Very high	22 Å²	22	52.3 Å²	52.3	23%	0.227	25%	0.25	C	S	.	.	I	π-helix	trans	-106.1	-94.6	-178.8	0	0	0	0	0	112.5	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.98Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.26Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 3.22Å; G186-C188 VanDerWaalsContact O-N 3.14Å; G186-V189 WeakPolarHBondContact O-CB 3.34Å; G186-V189 PolarHBondContact O-N 3.12Å; G186-E190 PolarHBondContact O-N 3.33Å
187	L	97.9	Very high	97.6	Very high	71 Å²	71	55.1 Å²	55.1	37%	0.372	26%	0.261	S	S	.	.	I	π-helix	trans	-55.2	-37.2	-169.7	-69.4	177	0	0	0	113.6	Y183 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.24Å; Y183-L187 HydrophobicContact CE2-CB 4.03Å; Y183-L187 PolarHBondContact O-N 3.04Å; Y183-L187 VanDerWaalsContact O-N 3.15Å; L187-E190 PolarHBondContact O-N 3.37Å; L187-W191 WeakPolarHBondContact O-CB 3.34Å; L187-W191 PolarHBondContact O-N 3.5Å
188	C	98.4	Very high	97.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-47	178.3	-169	0	0	0	0	111.5	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 WeakPolarHBondContact CE-SG 3.48Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.19Å; C125-C188 PolarHBondContact N-SG 2.94Å; C125-C188 WeakPolarHBondContact SG-CB 3.13Å; C125-C188 PolarHBondContact SG-O 2.84Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.9Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.48Å; Y183-C188 PolarHBondContact O-N 3.07Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 3.22Å; G186-C188 VanDerWaalsContact O-N 3.14Å; C188-W191 PolarHBondContact O-N 3.01Å; C188-L192 WeakPolarHBondContact O-CB 3.46Å; C188-L192 PolarHBondContact O-N 3.1Å
189	V	98.4	Very high	97.2	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-45.4	177.6	178	0	0	0	0	110.8	L127 L133 L184 G186 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.42Å; L127-V189 HydrophobicContact CD2-CB 4.15Å; L127-V189 HydrophobicContact CD2-CG1 3.77Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L133-V189 HydrophobicContact CB-CG2 3.98Å; L133-V189 HydrophobicContact CD1-CG2 4.18Å; L184-V189 WeakPolarHBondContact O-CG2 3.48Å; G186-V189 WeakPolarHBondContact O-CB 3.34Å; G186-V189 PolarHBondContact O-N 3.12Å; V189-L192 PolarHBondContact O-N 2.87Å; V189-R193 WeakPolarHBondContact O-CG 3.32Å; V189-R193 PolarHBondContact O-N 3.3Å
190	E	98.2	Very high	96.8	Very high	116 Å²	116	49.6 Å²	49.6	54%	0.542	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-47.7	179.1	-69.4	175.6	-177	0	0	112	G186 L187 R193 R194	G186-E190 PolarHBondContact O-N 3.33Å; L187-E190 PolarHBondContact O-N 3.37Å; E190-R193 PolarHBondContact O-N 2.99Å; E190-R194 PolarHBondContact O-N 3.13Å; E190-R194 VanDerWaalsContact O-N 3.07Å
191	W	97.9	Very high	96.2	Very high	53 Å²	53	55.8 Å²	55.8	20%	0.201	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-42.3	179.1	-82.2	112.8	0	0	0	112.5	M29 Y83 L187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.32Å; Y83-W191 AromaticContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CD2-CZ3 3.83Å; Y83-W191 HydrophobicContact CE2-CE3 4.31Å; Y83-W191 AromaticContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CH2 3.84Å; Y83-W191 HydrophobicContact CE2-CZ2 4.46Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; L187-W191 WeakPolarHBondContact O-CB 3.34Å; L187-W191 PolarHBondContact O-N 3.5Å; C188-W191 PolarHBondContact O-N 3.01Å; W191-R193 PolarHBondContact O-N 3.05Å; W191-R194 PolarHBondContact O-N 2.89Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.29Å; W191-Y195 AromaticContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE1 3.43Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.47Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.47Å; W191-Y195 AromaticContact CZ3-CE1 3.84Å; W191-Y195 HydrophobicContact CZ3-CE1 3.84Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.22Å; W191-Y195 PolarHBondContact O-N 3.28Å
192	L	98	Very high	95.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-44.1	178	176	49.2	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.1Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.75Å; V52-L192 HydrophobicContact CG2-CD1 4.37Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.8Å; L127-L192 HydrophobicContact CD1-CG 3.79Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.18Å; C188-L192 WeakPolarHBondContact O-CB 3.46Å; C188-L192 PolarHBondContact O-N 3.1Å; V189-L192 PolarHBondContact O-N 2.87Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.94Å; L192-Y195 PolarHBondContact O-N 3.24Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CD2 4.32Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 VanDerWaalsContact O-CG 3.24Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.2Å
193	R	96.4	Very high	94.8	Very high	104 Å²	104	53.3 Å²	53.3	39%	0.392	25%	0.25	S	S	.	.	H	α-helix	trans	-59.2	-44.2	173.9	-71.5	173.5	-178.6	168.3	-0.9	112.4	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.93Å; G131-R193 VanDerWaalsContact O-CZ 3.3Å; G131-R193 PolarHBondContact O-NE 2.91Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 3.18Å; V189-R193 WeakPolarHBondContact O-CG 3.32Å; V189-R193 PolarHBondContact O-N 3.3Å; E190-R193 PolarHBondContact O-N 2.99Å; W191-R193 PolarHBondContact O-N 3.05Å; R193-L196 PolarHBondContact O-N 3.13Å; R193-E197 PolarHBondContact O-N 3.13Å
194	R	96.4	Very high	93.7	Very high	122 Å²	122	53 Å²	53	46%	0.46	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-44.8	176.6	177.1	172.7	174.2	143.2	1.1	111.9	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.86Å; E79-R194 IonicContact OE1-NE 3.59Å; E79-R194 PolarHBondContact OE1-NE 3.24Å; E79-R194 IonicContact OE1-NH2 3.43Å; E79-R194 PolarHBondContact OE1-NH2 2.96Å; E79-R194 IonicContact OE2-CZ 3.63Å; E79-R194 IonicContact OE2-NE 2.83Å; E79-R194 IonicContact OE2-NH2 3.6Å; E79-R194 PolarHBondContact OE2-NH2 3.41Å; E190-R194 PolarHBondContact O-N 3.13Å; E190-R194 VanDerWaalsContact O-N 3.07Å; W191-R194 PolarHBondContact O-N 2.89Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.94Å; R194-E197 PolarHBondContact O-N 2.93Å; R194-N198 WeakPolarHBondContact O-CB 3.37Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 3.12Å
195	Y	96.6	Very high	92.2	Very high	1 Å²	1	62 Å²	62	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-37	179.6	-62.2	-27.4	0	0	0	112.7	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199	M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.78Å; V52-Y195 HydrophobicContact CG2-CG 4.27Å; F57-Y195 HydrophobicContact CD2-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.14Å; F57-Y195 HydrophobicContact CE2-CE1 4.5Å; F57-Y195 AromaticContact CE2-CE2 3.56Å; F57-Y195 HydrophobicContact CE2-CE2 3.56Å; F57-Y195 AromaticContact CE2-CZ 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.15Å; F57-Y195 AromaticContact CZ-CE2 3.62Å; F57-Y195 HydrophobicContact CZ-CE2 3.62Å; W75-Y195 HydrophobicContact CH2-CG 4.24Å; W75-Y195 AromaticContact CZ3-CD1 3.95Å; W75-Y195 HydrophobicContact CZ3-CD1 3.95Å; W75-Y195 AromaticContact CZ3-CG 3.87Å; W75-Y195 HydrophobicContact CZ3-CG 3.87Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.46Å; I76-Y195 VanDerWaalsContact CD1-CE1 3.46Å; Y83-Y195 HydrophobicContact CE2-CE1 4.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 PolarHBondContact OH-OH 3.16Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.29Å; W191-Y195 AromaticContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE1 3.43Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.47Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.47Å; W191-Y195 AromaticContact CZ3-CE1 3.84Å; W191-Y195 HydrophobicContact CZ3-CE1 3.84Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.22Å; W191-Y195 PolarHBondContact O-N 3.28Å; L192-Y195 PolarHBondContact O-N 3.24Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.39Å; Y195-N198 PolarHBondContact O-N 3.14Å; Y195-G199 PolarHBondContact O-N 2.9Å
196	L	95.4	Very high	89.9	Confident	1 Å²	1	65 Å²	65	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-35	174	-67.7	166.6	0	0	0	111.6	W23 H27 V52 L192 R193 G199 K200 L203 Q204	W23-L196 HydrophobicContact CD2-CD1 4.43Å; W23-L196 HydrophobicContact CE3-CB 3.62Å; W23-L196 HydrophobicContact CE3-CD1 4.05Å; W23-L196 HydrophobicContact CE3-CG 4.39Å; W23-L196 HydrophobicContact CH2-CB 3.83Å; W23-L196 VanDerWaalsContact CZ3-C 3.48Å; W23-L196 HydrophobicContact CZ3-CB 3.17Å; W23-L196 HydrophobicContact CZ3-CD1 4.39Å; W23-L196 HydrophobicContact CZ3-CG 4.36Å; H27-L196 HydrophobicContact CB-CD1 3.63Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.47Å; V52-L196 HydrophobicContact CG1-CD2 3.88Å; V52-L196 HydrophobicContact CG1-CG 4.42Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CD2 4.32Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.48Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 VanDerWaalsContact O-CG 3.24Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.2Å; R193-L196 PolarHBondContact O-N 3.13Å; L196-G199 CarbonylContact O-C 3.58Å; L196-K200 WeakPolarHBondContact O-CA 3.48Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.26Å; L196-L203 HydrophobicContact CD2-CB 4.49Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 3.35Å
197	E	94.2	Very high	89.5	Confident	88 Å²	88	67.1 Å²	67.1	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-49.1	173.4	-171.7	54.6	-149.3	0	0	111.1	W23 R193 R194 Y195 G199 K200	W23-E197 HydrophobicContact CH2-CB 4.02Å; R193-E197 PolarHBondContact O-N 3.13Å; R194-E197 PolarHBondContact O-N 2.93Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.39Å; E197-G199 PolarHBondContact O-N 2.84Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 2.93Å; E197-K200 IonicContact OE1-NZ 3.98Å; E197-K200 IonicContact OE2-NZ 3.87Å
198	N	93.9	Very high	89	Confident	35 Å²	35	66.9 Å²	66.9	19%	0.187	33%	0.331	C	S	.	.	H	α-helix	trans	-54.7	-42.6	176.7	-68	-4.4	0	0	0	111.7	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.23Å; W75-N198 HydrophobicContact CE3-CB 4.1Å; Q78-N198 PolarHBondContact NE2-OD1 3.17Å; E79-N198 PolarHBondContact OE1-ND2 2.89Å; R194-N198 WeakPolarHBondContact O-CB 3.37Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 3.12Å; Y195-N198 PolarHBondContact O-N 3.14Å
199	G	92.5	Very high	88.5	Confident	2 Å²	2	70.6 Å²	70.6	2%	0.021	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	12.7	-176.5	0	0	0	0	0	114.7	Y195 L196 E197 E201 T202 L203	Y195-G199 PolarHBondContact O-N 2.9Å; L196-G199 CarbonylContact O-C 3.58Å; E197-G199 PolarHBondContact O-N 2.84Å; G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 2.76Å; G199-E201 VanDerWaalsContact O-N 3.13Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 PolarHBondContact O-N 3.31Å; G199-T202 PolarHBondContact O-OG1 2.68Å; G199-L203 WeakPolarHBondContact O-CB 3.4Å; G199-L203 PolarHBondContact O-N 2.72Å
200	K	89.8	Confident	87.9	Confident	70 Å²	70	74.2 Å²	74.2	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-50.1	-43.6	-170.2	-178.8	172.8	-170.6	170.8	0	113.6	E21 L196 E197 T202 Q204	E21-K200 IonicContact OE1-NZ 2.61Å; E21-K200 PolarHBondContact OE1-NZ 3.39Å; L196-K200 WeakPolarHBondContact O-CA 3.48Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.26Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 2.93Å; E197-K200 IonicContact OE1-NZ 3.98Å; E197-K200 IonicContact OE2-NZ 3.87Å; K200-T202 PolarHBondContact O-N 3.45Å; K200-Q204 PolarHBondContact O-N 2.84Å
201	E	85.3	Confident	87.3	Confident	154 Å²	154	71.6 Å²	71.6	72%	0.72	36%	0.356	S	S	*	.	H	α-helix	trans	-66	-19.3	179.3	-64.8	-170	170.9	0	0	113.8	G199 R205	G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 2.76Å; G199-E201 VanDerWaalsContact O-N 3.13Å; E201-R205 WeakPolarHBondContact O-CD 3.3Å; E201-R205 WeakPolarHBondContact O-CG 3.3Å; E201-R205 PolarHBondContact O-NE 3Å; E201-R205 PolarHBondContact O-NH2 3.03Å; E201-R205 VanDerWaalsContact O-NH2 3.07Å
202	T	84.7	Confident	86.6	Confident	82 Å²	82	72.9 Å²	72.9	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-113.9	-35.2	-175.3	56.4	0	0	0	0	113.8	G199 K200	G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.48Å; G199-T202 PolarHBondContact O-N 3.31Å; G199-T202 PolarHBondContact O-OG1 2.68Å; K200-T202 PolarHBondContact O-N 3.45Å
203	L	82.9	Confident	85.8	Confident	21 Å²	21	78.1 Å²	78.1	11%	0.11	39%	0.392	C	S	.	.	H	α-helix	trans	-89	-23.9	-173.1	-64	173.2	0	0	0	113.1	V52 T55 W75 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.46Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; T55-L203 HydrophobicContact CG2-CD2 4.25Å; W75-L203 HydrophobicContact CZ2-CD1 3.96Å; W75-L203 HydrophobicContact CZ2-CD2 4.44Å; L196-L203 HydrophobicContact CD2-CB 4.49Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 WeakPolarHBondContact O-CB 3.4Å; G199-L203 PolarHBondContact O-N 2.72Å
204	Q	76.8	Confident	85	Confident	52 Å²	52	76.1 Å²	76.1	24%	0.243	39%	0.392	C	S	.	.	S	Bend	trans	-109.4	20.4	-176.4	-66.4	170.1	49.9	0	0	113.3	L196 K200 A206	L196-Q204 PolarHBondContact O-NE2 3.35Å; K200-Q204 PolarHBondContact O-N 2.84Å; Q204-A206 PolarHBondContact O-N 3.05Å
205	R	65.8	Low	84	Confident	190 Å²	190	72.3 Å²	72.3	72%	0.717	39%	0.387	S	S	*	.			trans	-76.3	107.8	169.2	-67.8	-170.7	-174.8	171.1	10.2	108.1	E201	E201-R205 WeakPolarHBondContact O-CD 3.3Å; E201-R205 WeakPolarHBondContact O-CG 3.3Å; E201-R205 PolarHBondContact O-NE 3Å; E201-R205 PolarHBondContact O-NH2 3.03Å; E201-R205 VanDerWaalsContact O-NH2 3.07Å
206	A	50.2	Low	82.9	Confident	171 Å²	171	78.7 Å²	78.7	100%	1.413	42%	0.421	S	S	*	.			trans	-65.7	0	166.6	0	0	0	0	0	111.3	Q204	Q204-A206 PolarHBondContact O-N 3.05Å

Retrieved 206 of 206 residues in 1150.2 ms (Link to these results)

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