A0A3Q0KQE7_SCHMA Loading...

Store-operated calcium entry-associated regulatory factor

AlphaFold DB , UniProt , Accession A0A3Q0KQE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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	65.6	Low	69.2	Low	203 Å²	203	107.9 Å²	107.9	100%	1	60%	0.604	S	S	*	*				0	-45.6	0	-68.5	-164.4	80.2	0	0	113.1	L3 A4 L5	M1-L3 PolarHBondContact O-N 2.96Å; M1-A4 PolarHBondContact O-N 2.91Å; M1-L5 PolarHBondContact O-N 3.01Å
2	L	70.7	Confident	68.5	Low	145 Å²	145	109 Å²	109	76%	0.759	61%	0.606	S	S	*	*	H	α-helix	trans	-56.9	-43.5	179.5	-114.7	136	0	0	0	114.6	A4 L5 V6	L2-A4 VanDerWaalsContact C-N 3.31Å; L2-A4 PolarHBondContact O-N 3.41Å; L2-L5 PolarHBondContact O-N 2.81Å; L2-V6 WeakPolarHBondContact O-CG2 2.95Å; L2-V6 PolarHBondContact O-N 2.82Å
3	L	71	Confident	67.7	Low	136 Å²	136	108.7 Å²	108.7	71%	0.712	61%	0.614	S	S	*	*	H	α-helix	trans	-62.5	-33.8	176.9	-84.5	161.3	0	0	0	113.7	M1 V6 F7	M1-L3 PolarHBondContact O-N 2.96Å; L3-V6 PolarHBondContact O-N 3.46Å; L3-F7 PolarHBondContact O-N 3.15Å
4	A	73.3	Confident	66.8	Low	61 Å²	61	111.7 Å²	111.7	50%	0.504	62%	0.618	S	S	.	*	H	α-helix	trans	-70.9	-37.1	176.6	0	0	0	0	0	111.3	M1 L2 F7 V8	M1-A4 PolarHBondContact O-N 2.91Å; L2-A4 VanDerWaalsContact C-N 3.31Å; L2-A4 PolarHBondContact O-N 3.41Å; A4-F7 PolarHBondContact O-N 2.84Å; A4-V8 WeakPolarHBondContact O-CB 3.4Å; A4-V8 VanDerWaalsContact O-CG2 3.28Å; A4-V8 WeakPolarHBondContact O-CG2 3.05Å; A4-V8 PolarHBondContact O-N 3.34Å
5	L	72.1	Confident	65.8	Low	124 Å²	124	110.4 Å²	110.4	65%	0.649	62%	0.619	S	S	*	*	H	α-helix	trans	-66.6	-37.4	173	-71.2	170.2	0	0	0	111.9	M1 L2 S9	M1-L5 PolarHBondContact O-N 3.01Å; L2-L5 PolarHBondContact O-N 2.81Å; L5-S9 VanDerWaalsContact O-CB 3.23Å; L5-S9 WeakPolarHBondContact O-CB 3.26Å; L5-S9 PolarHBondContact O-N 2.85Å
6	V	75.3	Confident	65	Low	74 Å²	74	113.9 Å²	113.9	45%	0.448	63%	0.629	S	S	.	*	H	α-helix	trans	-66.2	-45.1	173.2	175.8	0	0	0	0	110.7	L2 L3 V8 S9 V10	L2-V6 WeakPolarHBondContact O-CG2 2.95Å; L2-V6 PolarHBondContact O-N 2.82Å; L3-V6 PolarHBondContact O-N 3.46Å; V6-V8 PolarHBondContact O-N 3.47Å; V6-S9 PolarHBondContact O-N 2.83Å; V6-V10 HydrophobicContact CG1-CG2 4.11Å; V6-V10 VanDerWaalsContact O-CB 3.31Å; V6-V10 WeakPolarHBondContact O-CB 3.38Å; V6-V10 WeakPolarHBondContact O-CG2 3.48Å; V6-V10 PolarHBondContact O-N 3.5Å
7	F	65.5	Low	64.6	Low	145 Å²	145	112.7 Å²	112.7	64%	0.636	64%	0.638	S	S	*	*	H	α-helix	trans	-62.7	-41.5	176.4	-104.6	-88.3	0	0	0	112.7	L3 A4 V10 C11	L3-F7 PolarHBondContact O-N 3.15Å; A4-F7 PolarHBondContact O-N 2.84Å; F7-V10 PolarHBondContact O-N 2.87Å; F7-C11 VanDerWaalsContact O-CB 3.27Å; F7-C11 WeakPolarHBondContact O-CB 3.36Å; F7-C11 PolarHBondContact O-N 3.31Å; F7-C11 PolarHBondContact O-SG 2.86Å
8	V	72.2	Confident	64.6	Low	84 Å²	84	118.1 Å²	118.1	51%	0.509	65%	0.646	S	S	.	*	H	α-helix	trans	-66.7	-41.3	174.9	173.2	0	0	0	0	110.8	A4 V6 V10 C11 L12	A4-V8 WeakPolarHBondContact O-CB 3.4Å; A4-V8 VanDerWaalsContact O-CG2 3.28Å; A4-V8 WeakPolarHBondContact O-CG2 3.05Å; A4-V8 PolarHBondContact O-N 3.34Å; V6-V8 PolarHBondContact O-N 3.47Å; V8-V10 PolarHBondContact O-N 2.87Å; V8-C11 PolarHBondContact O-N 2.82Å; V8-L12 HydrophobicContact CG1-CD1 3.86Å; V8-L12 HydrophobicContact CG1-CG 4.26Å; V8-L12 WeakPolarHBondContact O-CB 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.22Å; V8-L12 PolarHBondContact O-N 3.29Å
9	S	67.1	Low	65.1	Low	68 Å²	68	112.9 Å²	112.9	48%	0.476	62%	0.62	S	S	.	*	H	α-helix	trans	-63.5	-41.4	175.6	-171.7	0	0	0	0	112	L5 V6 L12 C13	L5-S9 VanDerWaalsContact O-CB 3.23Å; L5-S9 WeakPolarHBondContact O-CB 3.26Å; L5-S9 PolarHBondContact O-N 2.85Å; V6-S9 PolarHBondContact O-N 2.83Å; S9-L12 PolarHBondContact O-N 3.36Å; S9-C13 WeakPolarHBondContact O-CB 3.43Å; S9-C13 PolarHBondContact O-N 3.16Å; S9-C13 PolarHBondContact O-SG 3.46Å
10	V	66.9	Low	66.2	Low	64 Å²	64	116.7 Å²	116.7	39%	0.388	62%	0.624	S	S	.	*	H	α-helix	trans	-67	-45.3	176.4	172	0	0	0	0	109.9	V6 F7 V8 L12 C13 F14	V6-V10 HydrophobicContact CG1-CG2 4.11Å; V6-V10 VanDerWaalsContact O-CB 3.31Å; V6-V10 WeakPolarHBondContact O-CB 3.38Å; V6-V10 WeakPolarHBondContact O-CG2 3.48Å; V6-V10 PolarHBondContact O-N 3.5Å; F7-V10 PolarHBondContact O-N 2.87Å; V8-V10 PolarHBondContact O-N 2.87Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.35Å; V10-C13 PolarHBondContact O-N 3.49Å; V10-F14 HydrophobicContact CG1-CD2 3.66Å; V10-F14 HydrophobicContact CG1-CE2 3.46Å; V10-F14 VanDerWaalsContact CG1-CE2 3.46Å; V10-F14 WeakPolarHBondContact O-CD2 3.32Å; V10-F14 PolarHBondContact O-N 2.89Å
11	C	62.1	Low	67.4	Low	83 Å²	83	116.1 Å²	116.1	56%	0.561	61%	0.613	S	S	*	*	H	α-helix	trans	-63.7	-34.3	175.8	-75.9	0	0	0	0	113.4	F7 V8 F14	F7-C11 VanDerWaalsContact O-CB 3.27Å; F7-C11 WeakPolarHBondContact O-CB 3.36Å; F7-C11 PolarHBondContact O-N 3.31Å; F7-C11 PolarHBondContact O-SG 2.86Å; V8-C11 PolarHBondContact O-N 2.82Å; C11-F14 CarbonylContact O-C 3.5Å; C11-F14 PolarHBondContact O-N 3.31Å
12	L	60.2	Low	68.8	Low	121 Å²	121	108.4 Å²	108.4	63%	0.634	58%	0.577	S	S	*	*	H	α-helix	trans	-74	-31.5	174.6	-70.4	173.9	0	0	0	112.1	V8 S9 V10 F14 S15	V8-L12 HydrophobicContact CG1-CD1 3.86Å; V8-L12 HydrophobicContact CG1-CG 4.26Å; V8-L12 WeakPolarHBondContact O-CB 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.22Å; V8-L12 PolarHBondContact O-N 3.29Å; S9-L12 PolarHBondContact O-N 3.36Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.35Å; L12-F14 VanDerWaalsContact C-N 3.28Å; L12-S15 PolarHBondContact O-N 2.91Å; L12-S15 PolarHBondContact O-OG 3.29Å
13	C	58.5	Low	69.9	Low	105 Å²	105	103.1 Å²	103.1	71%	0.709	55%	0.55	S	S	*	.	H	α-helix	trans	-69.9	-26.8	170.8	-71.9	0	0	0	0	112.5	S9 V10 S15	S9-C13 WeakPolarHBondContact O-CB 3.43Å; S9-C13 PolarHBondContact O-N 3.16Å; S9-C13 PolarHBondContact O-SG 3.46Å; V10-C13 PolarHBondContact O-N 3.49Å; C13-S15 VanDerWaalsContact C-N 3.3Å; C13-S15 PolarHBondContact O-N 2.93Å
14	F	54.2	Low	71	Confident	151 Å²	151	96.9 Å²	96.9	66%	0.662	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	18.3	173.3	-73.5	-66.4	0	0	0	114	V10 C11 L12 E16	V10-F14 HydrophobicContact CG1-CD2 3.66Å; V10-F14 HydrophobicContact CG1-CE2 3.46Å; V10-F14 VanDerWaalsContact CG1-CE2 3.46Å; V10-F14 WeakPolarHBondContact O-CD2 3.32Å; V10-F14 PolarHBondContact O-N 2.89Å; C11-F14 CarbonylContact O-C 3.5Å; C11-F14 PolarHBondContact O-N 3.31Å; L12-F14 VanDerWaalsContact C-N 3.28Å; F14-E16 PolarHBondContact O-N 3.23Å
15	S	51.7	Low	72	Confident	92 Å²	92	98.6 Å²	98.6	64%	0.643	51%	0.511	S	S	*	.			trans	-70.5	72.1	159	74.6	0	0	0	0	108.6	L12 C13 A17	L12-S15 PolarHBondContact O-N 2.91Å; L12-S15 PolarHBondContact O-OG 3.29Å; C13-S15 VanDerWaalsContact C-N 3.3Å; C13-S15 PolarHBondContact O-N 2.93Å; S15-A17 PolarHBondContact O-N 2.88Å; S15-A17 VanDerWaalsContact O-N 3.09Å
16	E	54.1	Low	73.1	Confident	167 Å²	167	98.1 Å²	98.1	78%	0.78	51%	0.509	S	S	*	.			trans	-39.7	117.1	167	-162	102	-146.6	0	0	106.5	F14 R18	F14-E16 PolarHBondContact O-N 3.23Å; E16-R18 PolarHBondContact O-N 3.41Å
17	A	57.3	Low	74	Confident	93 Å²	93	95.7 Å²	95.7	77%	0.769	49%	0.494	S	S	*	.			trans	-61.4	86.8	-176.6	0	0	0	0	0	108.6	S15 S19	S15-A17 PolarHBondContact O-N 2.88Å; S15-A17 VanDerWaalsContact O-N 3.09Å; A17-S19 PolarHBondContact O-N 3.04Å
18	R	64.5	Low	75.5	Confident	209 Å²	209	94.9 Å²	94.9	79%	0.789	50%	0.496	S	S	*	.			trans	-57.8	113	-176.2	-167.8	175.3	-173.8	170.5	4.7	106.2	E16 R20	E16-R18 PolarHBondContact O-N 3.41Å; R18-R20 PolarHBondContact O-N 3.18Å
19	S	74.4	Confident	76.6	Confident	21 Å²	21	94 Å²	94	15%	0.147	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-59.9	139.5	-174.2	-47.6	0	0	0	0	108.8	A17 R21 Y103 V112	A17-S19 PolarHBondContact O-N 3.04Å; S19-R21 PolarHBondContact O-N 3.5Å; S19-Y103 VanDerWaalsContact O-CE2 3.26Å; S19-Y103 WeakPolarHBondContact O-CE2 3.29Å; S19-Y103 PolarHBondContact O-OH 3.38Å; S19-V112 VanDerWaalsContact CB-CG1 3.47Å
20	R	87.9	Confident	78	Confident	188 Å²	188	91.6 Å²	91.6	71%	0.709	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-65.3	134.4	-177.7	-67.9	-178.9	178	-179.6	-1.1	109.5	R18 Y113	R18-R20 PolarHBondContact O-N 3.18Å; R20-Y113 HydrophobicContact CB-CG 4.43Å; R20-Y113 WeakPolarHBondContact O-CB 3.22Å; R20-Y113 PolarHBondContact O-N 3.38Å
21	R	91.5	Very high	79.4	Confident	104 Å²	104	91 Å²	91	39%	0.392	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.4	174.9	-175.4	-177.8	-178.9	138.4	18.3	109.2	S19 Y103 D104 D108 Y110	S19-R21 PolarHBondContact O-N 3.5Å; R21-Y103 HydrophobicContact CB-CD1 4.19Å; R21-Y103 HydrophobicContact CB-CD2 3.75Å; R21-Y103 HydrophobicContact CB-CE1 4.03Å; R21-Y103 HydrophobicContact CB-CE2 3.58Å; R21-Y103 HydrophobicContact CB-CG 4.05Å; R21-Y103 HydrophobicContact CG-CD1 3.81Å; R21-Y103 HydrophobicContact CG-CD2 3.89Å; R21-Y103 HydrophobicContact CG-CE1 4.1Å; R21-Y103 HydrophobicContact CG-CE2 4.18Å; R21-Y103 HydrophobicContact CG-CG 3.69Å; R21-D104 IonicContact CZ-OD2 3.65Å; R21-D104 VanDerWaalsContact CZ-OD2 3.27Å; R21-D104 IonicContact NH1-OD2 2.81Å; R21-D104 PolarHBondContact NH1-OD2 2.89Å; R21-D104 IonicContact NH2-OD2 3.7Å; R21-D104 PolarHBondContact NH2-OD2 3.47Å; R21-D108 IonicContact NH2-OD2 3.97Å; R21-Y110 HydrophobicContact CG-CD1 3.59Å; R21-Y110 HydrophobicContact CG-CE1 4.42Å; R21-Y110 HydrophobicContact CG-CG 3.93Å
22	V	94.4	Very high	81.1	Confident	41 Å²	41	87.2 Å²	87.2	25%	0.248	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.6	176.8	178.6	0	0	0	0	109.7	L24 V27 Y110 I111 Y113	V22-L24 PolarHBondContact O-N 2.86Å; V22-V27 HydrophobicContact CG1-CG2 3.88Å; V22-Y110 CarbonylContact O-C 3.58Å; V22-Y110 WeakPolarHBondContact O-CA 3.33Å; V22-I111 PolarHBondContact N-O 3Å; V22-I111 WeakPolarHBondContact O-CG1 3.17Å; V22-I111 PolarHBondContact O-N 3.4Å; V22-Y113 HydrophobicContact CG2-CD2 3.93Å; V22-Y113 HydrophobicContact CG2-CG 4.5Å
23	L	94.4	Very high	82.9	Confident	34 Å²	34	85.4 Å²	85.4	18%	0.178	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.6	174.5	-172.9	68.2	0	0	0	109.2	R25 D26 E109 Y110	L23-R25 HydrophobicContact CD2-CB 4.44Å; L23-R25 HydrophobicContact CG-CB 4.41Å; L23-R25 PolarHBondContact O-N 2.95Å; L23-D26 HydrophobicContact CB-CB 4.33Å; L23-D26 PolarHBondContact O-N 3Å; L23-E109 HydrophobicContact CD1-CB 3.86Å; L23-Y110 HydrophobicContact CB-CD1 4.07Å; L23-Y110 HydrophobicContact CB-CE1 3.98Å; L23-Y110 HydrophobicContact CD1-CD1 4.13Å; L23-Y110 HydrophobicContact CD1-CD2 4.21Å; L23-Y110 HydrophobicContact CD1-CE1 3.98Å; L23-Y110 HydrophobicContact CD1-CE2 4.06Å; L23-Y110 HydrophobicContact CD1-CG 4.27Å
24	L	94.5	Very high	84.6	Confident	5 Å²	5	84.7 Å²	84.7	3%	0.026	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-57.1	-36.1	-175.7	175.3	63.2	0	0	0	112.4	V22 D26 V27 V79 W81 E109 I111 T332	V22-L24 PolarHBondContact O-N 2.86Å; L24-D26 VanDerWaalsContact C-N 3.28Å; L24-D26 PolarHBondContact O-N 3.44Å; L24-V27 PolarHBondContact O-N 3.34Å; L24-V79 HydrophobicContact CD2-CG2 4.48Å; L24-V79 HydrophobicContact CG-CG2 4.03Å; L24-W81 HydrophobicContact CD1-CZ2 4.2Å; L24-E109 WeakPolarHBondContact CB-O 3.47Å; L24-E109 PolarHBondContact N-O 3.38Å; L24-I111 HydrophobicContact CB-CG1 4.46Å; L24-I111 HydrophobicContact CB-CG2 4.15Å; L24-I111 HydrophobicContact CD1-CD1 3.97Å; L24-I111 HydrophobicContact CD1-CG2 4.34Å; L24-T332 HydrophobicContact CD1-CG2 4.1Å; L24-T332 HydrophobicContact CD2-CG2 3.75Å
25	R	93.9	Very high	86.5	Confident	98 Å²	98	83.4 Å²	83.4	37%	0.37	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-66.6	-27.9	-179.9	-63.9	-173.8	-174	144.3	15.8	113.6	L23 V27 N71 F74 V79 E109	L23-R25 HydrophobicContact CD2-CB 4.44Å; L23-R25 HydrophobicContact CG-CB 4.41Å; L23-R25 PolarHBondContact O-N 2.95Å; R25-V27 VanDerWaalsContact C-N 3.27Å; R25-V27 PolarHBondContact O-N 3.39Å; R25-N71 PolarHBondContact O-ND2 2.84Å; R25-F74 HydrophobicContact CG-CD2 3.97Å; R25-F74 HydrophobicContact CG-CE2 4.25Å; R25-F74 HydrophobicContact CG-CG 4.43Å; R25-F74 VanDerWaalsContact CZ-CE1 3.45Å; R25-V79 HydrophobicContact CG-CG2 4.21Å; R25-E109 IonicContact CZ-OE1 3.55Å; R25-E109 IonicContact NH1-OE1 3.73Å; R25-E109 IonicContact NH2-OE1 2.84Å; R25-E109 PolarHBondContact NH2-OE1 3.19Å
26	D	94.4	Very high	88.6	Confident	114 Å²	114	83.6 Å²	83.6	61%	0.61	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-86.5	1.4	-178.3	-64.4	-10.7	0	0	0	112.3	L23 L24 D28	L23-D26 HydrophobicContact CB-CB 4.33Å; L23-D26 PolarHBondContact O-N 3Å; L24-D26 VanDerWaalsContact C-N 3.28Å; L24-D26 PolarHBondContact O-N 3.44Å; D26-D28 PolarHBondContact O-N 3.17Å
27	V	95	Very high	90.5	Very high	23 Å²	23	81.9 Å²	81.9	14%	0.139	39%	0.394	C	S	.	.			trans	-82.4	109.8	176.2	-175.2	0	0	0	0	109	V22 L24 R25 I30 N71 W81 I111	V22-V27 HydrophobicContact CG1-CG2 3.88Å; L24-V27 PolarHBondContact O-N 3.34Å; R25-V27 VanDerWaalsContact C-N 3.27Å; R25-V27 PolarHBondContact O-N 3.39Å; V27-I30 HydrophobicContact CG1-CD1 4.29Å; V27-I30 HydrophobicContact CG1-CG1 3.72Å; V27-N71 WeakPolarHBondContact O-CB 3.34Å; V27-N71 PolarHBondContact O-ND2 3.4Å; V27-W81 HydrophobicContact CB-CH2 3.99Å; V27-W81 HydrophobicContact CG1-CH2 3.78Å; V27-W81 WeakPolarHBondContact O-CH2 3.45Å; V27-I111 HydrophobicContact CG2-CD1 4.26Å
28	D	95.5	Very high	92.3	Very high	128 Å²	128	77.5 Å²	77.5	68%	0.684	36%	0.358	S	S	*	.			trans	-74.4	-48.1	179.1	-65	-40.5	0	0	0	112.5	D26 N71	D26-D28 PolarHBondContact O-N 3.17Å; D28-N71 WeakPolarHBondContact O-CB 3.26Å; D28-N71 PolarHBondContact O-N 3.04Å
29	V	96.6	Very high	93.5	Very high	66 Å²	66	71.2 Å²	71.2	40%	0.4	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.4	-171.4	-173.8	0	0	0	0	110.9	C69 Y70	V29-C69 CarbonylContact C-O 3.59Å; V29-C69 VanDerWaalsContact CA-O 3.3Å; V29-C69 WeakPolarHBondContact CA-O 3.46Å; V29-Y70 HydrophobicContact CG1-CD1 4.21Å; V29-Y70 HydrophobicContact CG1-CE1 4.1Å; V29-Y70 HydrophobicContact CG2-CD1 3.63Å; V29-Y70 HydrophobicContact CG2-CE1 3.91Å
30	I	96	Very high	94.2	Very high	17 Å²	17	70.6 Å²	70.6	9%	0.087	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.3	172	-52.3	172.3	0	0	0	108.1	V27 L32 Q68 C69 W81 V98 C116	V27-I30 HydrophobicContact CG1-CD1 4.29Å; V27-I30 HydrophobicContact CG1-CG1 3.72Å; I30-L32 HydrophobicContact CG2-CD1 4.18Å; I30-L32 HydrophobicContact CG2-CD2 3.67Å; I30-L32 HydrophobicContact CG2-CG 3.74Å; I30-Q68 WeakPolarHBondContact O-CA 3.2Å; I30-C69 HydrophobicContact CB-CB 4.38Å; I30-C69 PolarHBondContact N-O 3.39Å; I30-C69 PolarHBondContact O-N 2.9Å; I30-W81 HydrophobicContact CD1-CE3 4.34Å; I30-W81 HydrophobicContact CD1-CH2 3.46Å; I30-W81 VanDerWaalsContact CD1-CH2 3.46Å; I30-W81 HydrophobicContact CD1-CZ2 3.64Å; I30-W81 HydrophobicContact CD1-CZ3 3.82Å; I30-W81 HydrophobicContact CG1-CH2 3.74Å; I30-W81 HydrophobicContact CG1-CZ2 4.42Å; I30-W81 HydrophobicContact CG1-CZ3 3.85Å; I30-V98 HydrophobicContact CD1-CG1 3.9Å; I30-C116 HydrophobicContact CD1-CB 3.96Å; I30-C116 HydrophobicContact CG2-CB 4.25Å
31	T	97.4	Very high	94.1	Very high	50 Å²	50	67.4 Å²	67.4	31%	0.307	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.8	173	-56.4	0	0	0	0	109.4	Y33 V66 Q68	T31-Y33 HydrophobicContact CG2-CE2 3.7Å; T31-V66 HydrophobicContact CG2-CG1 3.87Å; T31-Q68 HydrophobicContact CG2-CG 4.07Å
32	L	97.5	Very high	93.6	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.7	-173.4	-61.8	171	0	0	0	110.1	I30 Q48 L49 V66 V67 C116 L118	I30-L32 HydrophobicContact CG2-CD1 4.18Å; I30-L32 HydrophobicContact CG2-CD2 3.67Å; I30-L32 HydrophobicContact CG2-CG 3.74Å; L32-Q48 HydrophobicContact CB-CB 4.15Å; L32-Q48 HydrophobicContact CD2-CB 3.91Å; L32-Q48 HydrophobicContact CD2-CG 4.04Å; L32-L49 HydrophobicContact CB-CD2 3.49Å; L32-L49 VanDerWaalsContact CB-CD2 3.49Å; L32-L49 HydrophobicContact CB-CG 4.02Å; L32-L49 HydrophobicContact CD1-CD2 4.14Å; L32-L49 HydrophobicContact CG-CD2 4.48Å; L32-V66 WeakPolarHBondContact O-CA 3.39Å; L32-V67 PolarHBondContact N-O 3.44Å; L32-V67 PolarHBondContact O-N 3.38Å; L32-C116 VanDerWaalsContact CD2-O 3.27Å; L32-C116 WeakPolarHBondContact CD2-O 3.41Å; L32-L118 HydrophobicContact CD1-CB 3.37Å
33	Y	97.6	Very high	92.8	Very high	84 Å²	84	75.5 Å²	75.5	33%	0.329	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.3	-174.8	-61.6	-97.2	0	0	0	110.4	T31 D35 K36 Q48 V66	T31-Y33 HydrophobicContact CG2-CE2 3.7Å; Y33-D35 VanDerWaalsContact C-N 3.25Å; Y33-D35 PolarHBondContact O-N 3.49Å; Y33-K36 HydrophobicContact CD2-CD 3.82Å; Y33-K36 HydrophobicContact CG-CD 3.92Å; Y33-K36 HydrophobicContact CG-CG 4.44Å; Y33-K36 PolarHBondContact O-N 2.95Å; Y33-Q48 WeakPolarHBondContact O-CB 3.07Å; Y33-V66 HydrophobicContact CD1-CG2 3.52Å; Y33-V66 HydrophobicContact CE1-CG2 3.66Å; Y33-V66 HydrophobicContact CG-CG2 4.43Å
34	H	94.2	Very high	92.3	Very high	90 Å²	90	81.4 Å²	81.4	42%	0.417	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34	-178.4	179.9	-78	0	0	0	113	L49 Y63 K65	H34-L49 HydrophobicContact CB-CD1 4.18Å; H34-Y63 AromaticContact NE2-CD2 3.78Å; H34-K65 PolarHBondContact N-O 3Å
35	D	93.4	Very high	92	Very high	123 Å²	123	87.6 Å²	87.6	66%	0.658	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	14.3	-173.8	61.9	-32.1	0	0	0	113.6	Y33	Y33-D35 VanDerWaalsContact C-N 3.25Å; Y33-D35 PolarHBondContact O-N 3.49Å
36	K	96	Very high	91.8	Very high	96 Å²	96	84 Å²	84	42%	0.417	39%	0.391	S	S	.	.			trans	-122.8	152.8	-178.9	-64.2	-172.1	-174.1	174.1	0	112.6	Y33 Q48	Y33-K36 HydrophobicContact CD2-CD 3.82Å; Y33-K36 HydrophobicContact CG-CD 3.92Å; Y33-K36 HydrophobicContact CG-CG 4.44Å; Y33-K36 PolarHBondContact O-N 2.95Å; K36-Q48 HydrophobicContact CB-CG 4.21Å; K36-Q48 WeakPolarHBondContact O-CB 3.49Å; K36-Q48 WeakPolarHBondContact O-CG 3.41Å; K36-Q48 PolarHBondContact O-N 2.71Å
37	F	94.7	Very high	91.9	Very high	132 Å²	132	80.4 Å²	80.4	58%	0.579	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-100.1	145.3	172.6	-65.3	-89	0	0	0	110.7	R45 L46 Q48	F37-R45 HydrophobicContact CB-CB 3.98Å; F37-R45 HydrophobicContact CD1-CB 4.33Å; F37-R45 HydrophobicContact CG-CB 4.47Å; F37-L46 CarbonylContact C-O 3.48Å; F37-L46 VanDerWaalsContact CA-O 3.27Å; F37-L46 WeakPolarHBondContact CA-O 3.48Å; F37-Q48 PolarHBondContact O-NE2 3.06Å
38	A	94.1	Very high	92	Very high	0 Å²	0	80.5 Å²	80.5	0%	0	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72.4	145.9	171.3	0	0	0	0	0	109.8	L46 Q48 A117	A38-L46 PolarHBondContact N-O 3.48Å; A38-Q48 HydrophobicContact CB-CG 4.32Å; A38-A117 HydrophobicContact CB-CB 4.4Å
39	Q	91.2	Very high	92.1	Very high	78 Å²	78	74.9 Å²	74.9	36%	0.364	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-60.9	143	172.2	-170.5	62.7	29.1	0	0	109.3	V112 G114 S115	Q39-V112 HydrophobicContact CG-CG1 4.45Å; Q39-G114 WeakPolarHBondContact CB-O 3.31Å; Q39-G114 PolarHBondContact N-O 2.76Å; Q39-S115 WeakPolarHBondContact O-CA 3.3Å; Q39-S115 WeakPolarHBondContact O-CB 3.37Å
40	S	88	Confident	92	Very high	8 Å²	8	75.8 Å²	75.8	6%	0.056	34%	0.341	C	S	.	.			trans	-142	149.6	169.8	-167.5	0	0	0	0	110.1	K42 E101	S40-K42 WeakPolarHBondContact CB-O 3.19Å; S40-K42 PolarHBondContact OG-N 3Å; S40-K42 VanDerWaalsContact OG-N 3.11Å; S40-K42 PolarHBondContact OG-O 3.4Å; S40-E101 WeakPolarHBondContact CA-OE2 3.34Å; S40-E101 WeakPolarHBondContact CB-OE2 3.42Å; S40-E101 PolarHBondContact OG-OE2 2.86Å
41	R	85.5	Confident	92	Very high	120 Å²	120	75.7 Å²	75.7	45%	0.453	34%	0.341	S	S	.	.	S	Bend	trans	-87.3	-16	165.9	-58	178	-61	165.5	1.3	111.8	E101 G102 Y103 V112	R41-E101 WeakPolarHBondContact CB-OE1 3.44Å; R41-E101 WeakPolarHBondContact CG-OE1 3.33Å; R41-E101 IonicContact CZ-OE1 3.09Å; R41-E101 PolarHBondContact N-OE1 3.31Å; R41-E101 PolarHBondContact N-OE2 3.03Å; R41-E101 IonicContact NE-OE1 2.75Å; R41-E101 PolarHBondContact NE-OE1 2.69Å; R41-E101 IonicContact NH2-OE1 2.64Å; R41-G102 PolarHBondContact NH2-O 3.24Å; R41-Y103 PolarHBondContact NH1-O 3.4Å; R41-Y103 PolarHBondContact NH2-O 2.89Å; R41-V112 HydrophobicContact CG-CG1 4.43Å; R41-V112 HydrophobicContact CG-CG2 4.09Å
42	K	81.9	Confident	91.9	Very high	111 Å²	111	76.5 Å²	76.5	48%	0.483	35%	0.346	S	S	.	.	S	Bend	trans	-79.5	154.5	168.1	-56.2	178	-171.5	170.3	0	107.8	S40 Y44 R335	S40-K42 WeakPolarHBondContact CB-O 3.19Å; S40-K42 PolarHBondContact OG-N 3Å; S40-K42 VanDerWaalsContact OG-N 3.11Å; S40-K42 PolarHBondContact OG-O 3.4Å; K42-Y44 PolarHBondContact O-N 3.08Å; K42-Y44 VanDerWaalsContact O-N 3.16Å; K42-R335 PolarHBondContact NZ-OXT 2.85Å
43	E	77.7	Confident	91.7	Very high	205 Å²	205	77 Å²	77	96%	0.958	35%	0.352	S	S	*	.	S	Bend	trans	-60.6	-26.9	179.2	-66.7	176.9	177.9	0	0	112.5
44	Y	83.3	Confident	91.5	Very high	158 Å²	158	74.3 Å²	74.3	62%	0.62	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-91.8	117.8	-179.1	179.1	-105.8	0	0	0	113.1	K42 L46	K42-Y44 PolarHBondContact O-N 3.08Å; K42-Y44 VanDerWaalsContact O-N 3.16Å; Y44-L46 HydrophobicContact CD1-CD2 4.44Å; Y44-L46 HydrophobicContact CE1-CD2 3.49Å; Y44-L46 VanDerWaalsContact CE1-CD2 3.49Å; Y44-L46 HydrophobicContact CE1-CG 4.16Å
45	R	88.6	Confident	91.3	Very high	135 Å²	135	73.2 Å²	73.2	51%	0.509	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-93.8	135.7	174.8	-60.7	-176	-178.1	164.9	1.1	111.2	F37	F37-R45 HydrophobicContact CB-CB 3.98Å; F37-R45 HydrophobicContact CD1-CB 4.33Å; F37-R45 HydrophobicContact CG-CB 4.47Å
46	L	90	Very high	91	Very high	22 Å²	22	67.3 Å²	67.3	12%	0.115	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-85.1	148	174.1	-76.9	178.1	0	0	0	110.9	F37 A38 Y44 A117	F37-L46 CarbonylContact C-O 3.48Å; F37-L46 VanDerWaalsContact CA-O 3.27Å; F37-L46 WeakPolarHBondContact CA-O 3.48Å; A38-L46 PolarHBondContact N-O 3.48Å; Y44-L46 HydrophobicContact CD1-CD2 4.44Å; Y44-L46 HydrophobicContact CE1-CD2 3.49Å; Y44-L46 VanDerWaalsContact CE1-CD2 3.49Å; Y44-L46 HydrophobicContact CE1-CG 4.16Å; L46-A117 HydrophobicContact CB-CB 4.48Å
47	P	95.3	Very high	90.7	Very high	38 Å²	38	67.2 Å²	67.2	25%	0.247	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-61.2	140.5	163.8	28.3	-34	0	0	0	109.6	L49 K50 A117	P47-L49 VanDerWaalsContact C-N 3.26Å; P47-L49 PolarHBondContact O-N 2.94Å; P47-K50 HydrophobicContact CG-CB 4.36Å; P47-A117 WeakPolarHBondContact O-CB 3.3Å
48	Q	97	Very high	90.4	Very high	26 Å²	26	69.2 Å²	69.2	12%	0.121	33%	0.329	C	S	.	.	S	Bend	trans	-64.8	-31.8	179.8	-76.8	-175.6	1.4	0	0	112.4	L32 Y33 K36 F37 A38 A117 L118	L32-Q48 HydrophobicContact CB-CB 4.15Å; L32-Q48 HydrophobicContact CD2-CB 3.91Å; L32-Q48 HydrophobicContact CD2-CG 4.04Å; Y33-Q48 WeakPolarHBondContact O-CB 3.07Å; K36-Q48 HydrophobicContact CB-CG 4.21Å; K36-Q48 WeakPolarHBondContact O-CB 3.49Å; K36-Q48 WeakPolarHBondContact O-CG 3.41Å; K36-Q48 PolarHBondContact O-N 2.71Å; F37-Q48 PolarHBondContact O-NE2 3.06Å; A38-Q48 HydrophobicContact CB-CG 4.32Å; Q48-A117 CarbonylContact O-C 3.56Å; Q48-A117 WeakPolarHBondContact O-CA 3.34Å; Q48-L118 PolarHBondContact O-N 2.74Å
49	L	97.2	Very high	90.2	Very high	9 Å²	9	72.1 Å²	72.1	5%	0.047	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.5	176.5	-64.2	-176.7	0	0	0	109.7	L32 H34 P47 V67 L118 Y120	L32-L49 HydrophobicContact CB-CD2 3.49Å; L32-L49 VanDerWaalsContact CB-CD2 3.49Å; L32-L49 HydrophobicContact CB-CG 4.02Å; L32-L49 HydrophobicContact CD1-CD2 4.14Å; L32-L49 HydrophobicContact CG-CD2 4.48Å; H34-L49 HydrophobicContact CB-CD1 4.18Å; P47-L49 VanDerWaalsContact C-N 3.26Å; P47-L49 PolarHBondContact O-N 2.94Å; L49-V67 HydrophobicContact CD1-CG2 3.79Å; L49-V67 HydrophobicContact CD2-CB 3.94Å; L49-V67 HydrophobicContact CD2-CG2 3.64Å; L49-V67 HydrophobicContact CG-CG2 4.41Å; L49-L118 HydrophobicContact CD2-CB 3.95Å; L49-L118 HydrophobicContact CD2-CD2 4.01Å; L49-Y120 HydrophobicContact CB-CE1 4.14Å
50	K	95.7	Very high	90.2	Very high	86 Å²	86	72.4 Å²	72.4	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	115.8	178.9	-174.7	-179.3	166.2	-155.1	0	110.7	P47 V52 L118 E119 Y120	P47-K50 HydrophobicContact CG-CB 4.36Å; K50-V52 HydrophobicContact CD-CG1 4.16Å; K50-V52 HydrophobicContact CG-CG1 4Å; K50-L118 PolarHBondContact N-O 3.01Å; K50-E119 HydrophobicContact CB-CG 4.47Å; K50-E119 HydrophobicContact CD-CG 4.43Å; K50-E119 IonicContact NZ-OE1 3.63Å; K50-E119 PolarHBondContact NZ-OE1 2.84Å; K50-E119 WeakPolarHBondContact O-CA 3.38Å; K50-Y120 VanDerWaalsContact C-CE1 3.46Å; K50-Y120 WeakPolarHBondContact O-CD1 3.38Å; K50-Y120 PolarHBondContact O-N 2.97Å
51	C	96	Very high	90.3	Very high	14 Å²	14	76.4 Å²	76.4	10%	0.095	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.2	168.8	-161	0	0	0	0	108.2	F57 Y63 Y120	C51-F57 HydrophobicContact CB-CD2 4.01Å; C51-F57 HydrophobicContact CB-CE2 4.33Å; C51-F57 VanDerWaalsContact O-CE2 3.28Å; C51-F57 WeakPolarHBondContact O-CE2 3.25Å; C51-Y63 HydrophobicContact CB-CE1 3.97Å; C51-Y63 HydrophobicContact CB-CE2 4.03Å; C51-Y120 CarbonylContact C-O 3.57Å; C51-Y120 VanDerWaalsContact CA-O 3.28Å; C51-Y120 WeakPolarHBondContact CA-O 3.33Å; C51-Y120 HydrophobicContact CB-CD2 4.48Å; C51-Y120 HydrophobicContact CB-CE1 4.33Å; C51-Y120 HydrophobicContact CB-CE2 3.81Å
52	V	95.1	Very high	90.6	Very high	68 Å²	68	72.7 Å²	72.7	41%	0.412	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-11.2	-176.9	-65.4	0	0	0	0	113.7	K50 E119 Y120 E121	K50-V52 HydrophobicContact CD-CG1 4.16Å; K50-V52 HydrophobicContact CG-CG1 4Å; V52-E119 HydrophobicContact CG1-CB 3.89Å; V52-E119 HydrophobicContact CG1-CG 4.04Å; V52-E119 HydrophobicContact CG2-CB 4.22Å; V52-Y120 PolarHBondContact N-O 3.46Å; V52-E121 HydrophobicContact CG2-CG 4.24Å
53	G	94.3	Very high	91.2	Very high	13 Å²	13	69.7 Å²	69.7	13%	0.134	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-167.3	-175.1	0	0	0	0	0	114.2	E121 L122	G53-E121 VanDerWaalsContact O-CA 3.27Å; G53-E121 WeakPolarHBondContact O-CA 3.36Å; G53-L122 PolarHBondContact O-N 3.36Å
54	G	91.7	Very high	92.1	Very high	28 Å²	28	60.1 Å²	60.1	29%	0.289	30%	0.297	S	S	.	.	S	Bend	trans	86	165	-174.4	0	0	0	0	0	114	G56 F57 L122 N123	G54-G56 PolarHBondContact O-N 2.8Å; G54-F57 VanDerWaalsContact O-CB 3.25Å; G54-F57 WeakPolarHBondContact O-CB 3.17Å; G54-F57 PolarHBondContact O-N 3.22Å; G54-L122 CarbonylContact C-O 3.52Å; G54-L122 VanDerWaalsContact CA-O 3.24Å; G54-L122 WeakPolarHBondContact CA-O 3.27Å; G54-N123 WeakPolarHBondContact CA-OD1 3.2Å
55	S	89.6	Confident	92.7	Very high	67 Å²	67	61 Å²	61	47%	0.469	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.1	-177.1	51.8	0	0	0	0	113.7	F57 L122 V124	S55-F57 VanDerWaalsContact C-N 3.35Å; S55-L122 PolarHBondContact N-O 2.86Å; S55-L122 VanDerWaalsContact N-O 3.12Å; S55-V124 PolarHBondContact OG-N 3.23Å
56	G	87.5	Confident	93.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5	176.3	0	0	0	0	0	114.4	G54 K58 H59 L122	G54-G56 PolarHBondContact O-N 2.8Å; G56-K58 PolarHBondContact O-N 3.06Å; G56-K58 VanDerWaalsContact O-N 3.12Å; G56-H59 PolarHBondContact O-N 3.22Å; G56-L122 WeakPolarHBondContact CA-O 3.47Å; G56-L122 PolarHBondContact N-O 2.89Å
57	F	90.4	Very high	93.5	Very high	93 Å²	93	56.2 Å²	56.2	41%	0.408	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.2	-178.7	175.4	-101.9	0	0	0	113	C51 G54 S55 H59 Y63	C51-F57 HydrophobicContact CB-CD2 4.01Å; C51-F57 HydrophobicContact CB-CE2 4.33Å; C51-F57 VanDerWaalsContact O-CE2 3.28Å; C51-F57 WeakPolarHBondContact O-CE2 3.25Å; G54-F57 VanDerWaalsContact O-CB 3.25Å; G54-F57 WeakPolarHBondContact O-CB 3.17Å; G54-F57 PolarHBondContact O-N 3.22Å; S55-F57 VanDerWaalsContact C-N 3.35Å; F57-H59 PolarHBondContact O-N 2.65Å; F57-H59 VanDerWaalsContact O-N 3.14Å; F57-Y63 PolarHBondContact O-OH 3.37Å
58	K	88.9	Confident	93.6	Very high	174 Å²	174	58.1 Å²	58.1	76%	0.757	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	1.5	-177.8	-60	-179.7	-177.5	178.7	0	114.4	G56 P60	G56-K58 PolarHBondContact O-N 3.06Å; G56-K58 VanDerWaalsContact O-N 3.12Å; K58-P60 WeakPolarHBondContact O-CD 3.33Å
59	H	89.5	Confident	93.6	Very high	61 Å²	61	56.9 Å²	56.9	28%	0.282	29%	0.29	S	S	.	.			trans	-124.9	80.1	-171	-64.5	-46	0	0	0	111.4	G56 F57 Q61 Y62	G56-H59 PolarHBondContact O-N 3.22Å; F57-H59 PolarHBondContact O-N 2.65Å; F57-H59 VanDerWaalsContact O-N 3.14Å; H59-Q61 PolarHBondContact O-N 2.76Å; H59-Q61 VanDerWaalsContact O-N 3.09Å; H59-Y62 HydrophobicContact CB-CD2 3.47Å; H59-Y62 VanDerWaalsContact CB-CD2 3.47Å; H59-Y62 HydrophobicContact CB-CE2 3.94Å; H59-Y62 HydrophobicContact CB-CG 4.5Å; H59-Y62 PolarHBondContact O-N 2.72Å
60	P	91.3	Very high	93.6	Very high	84 Å²	84	59.8 Å²	59.8	55%	0.545	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-57	-25.2	179.7	-24.6	34.4	0	0	0	114.1	K58 Y62 Y63	K58-P60 WeakPolarHBondContact O-CD 3.33Å; P60-Y62 PolarHBondContact O-N 2.87Å; P60-Y62 VanDerWaalsContact O-N 3.11Å; P60-Y63 HydrophobicContact CB-CD2 4.36Å; P60-Y63 HydrophobicContact CB-CE2 4.21Å; P60-Y63 WeakPolarHBondContact O-CB 3.09Å; P60-Y63 PolarHBondContact O-N 2.9Å
61	Q	90.4	Very high	93.7	Very high	93 Å²	93	57.5 Å²	57.5	44%	0.435	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-62.2	-17.6	177.3	71.8	-84.8	19.4	0	0	113.9	H59	H59-Q61 PolarHBondContact O-N 2.76Å; H59-Q61 VanDerWaalsContact O-N 3.09Å
62	Y	91.4	Very high	93.7	Very high	41 Å²	41	63.4 Å²	63.4	16%	0.161	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-99.5	2.8	178.3	-62.5	-50.2	0	0	0	113.5	H59 P60 D88 S90 V91	H59-Y62 HydrophobicContact CB-CD2 3.47Å; H59-Y62 VanDerWaalsContact CB-CD2 3.47Å; H59-Y62 HydrophobicContact CB-CE2 3.94Å; H59-Y62 HydrophobicContact CB-CG 4.5Å; H59-Y62 PolarHBondContact O-N 2.72Å; P60-Y62 PolarHBondContact O-N 2.87Å; P60-Y62 VanDerWaalsContact O-N 3.11Å; Y62-D88 HydrophobicContact CD1-CB 3.69Å; Y62-D88 HydrophobicContact CE1-CB 3.92Å; Y62-S90 WeakPolarHBondContact CE1-OG 3.34Å; Y62-V91 HydrophobicContact CD2-CG1 3.8Å; Y62-V91 HydrophobicContact CE2-CG1 4.45Å; Y62-V91 HydrophobicContact CG-CG1 3.9Å; Y62-V91 HydrophobicContact CG-CG2 4.33Å
63	Y	94.6	Very high	93.7	Very high	49 Å²	49	61.7 Å²	61.7	19%	0.192	31%	0.309	C	S	.	.			trans	-71.1	135.3	-179	-67.9	3.9	0	0	0	110.5	H34 C51 F57 P60 L122	H34-Y63 AromaticContact NE2-CD2 3.78Å; C51-Y63 HydrophobicContact CB-CE1 3.97Å; C51-Y63 HydrophobicContact CB-CE2 4.03Å; F57-Y63 PolarHBondContact O-OH 3.37Å; P60-Y63 HydrophobicContact CB-CD2 4.36Å; P60-Y63 HydrophobicContact CB-CE2 4.21Å; P60-Y63 WeakPolarHBondContact O-CB 3.09Å; P60-Y63 PolarHBondContact O-N 2.9Å; Y63-L122 HydrophobicContact CD1-CD2 4.23Å
64	P	95.8	Very high	93.6	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.019	32%	0.319	C	S	.	.			trans	-66.6	139.2	177.7	26.7	-32.6	0	0	0	110.5	V67 A85 L87 F93 Y120	P64-V67 HydrophobicContact CB-CG2 3.91Å; P64-V67 HydrophobicContact CG-CG2 3.65Å; P64-A85 HydrophobicContact CB-CB 3.78Å; P64-A85 HydrophobicContact CG-CB 4.44Å; P64-L87 HydrophobicContact CB-CD2 3.72Å; P64-L87 HydrophobicContact CG-CD2 3.99Å; P64-F93 HydrophobicContact CG-CE1 4.27Å; P64-F93 HydrophobicContact CG-CZ 4.16Å; P64-Y120 HydrophobicContact CG-CE2 4.49Å
65	K	95.9	Very high	93.6	Very high	178 Å²	178	68 Å²	68	77%	0.774	33%	0.329	S	S	*	.	S	Bend	trans	-72.5	-37.8	172.9	-65.3	-176.3	179.3	-178.4	0	112.1	H34	H34-K65 PolarHBondContact N-O 3Å
66	V	97.1	Very high	93.6	Very high	55 Å²	55	67.7 Å²	67.7	33%	0.333	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.7	-178.1	175.6	0	0	0	0	109	T31 L32 Y33	T31-V66 HydrophobicContact CG2-CG1 3.87Å; L32-V66 WeakPolarHBondContact O-CA 3.39Å; Y33-V66 HydrophobicContact CD1-CG2 3.52Å; Y33-V66 HydrophobicContact CE1-CG2 3.66Å; Y33-V66 HydrophobicContact CG-CG2 4.43Å
67	V	98	Very high	93.6	Very high	0 Å²	0	77 Å²	77	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.9	170.8	-172.6	0	0	0	0	108.7	L32 L49 P64 C83 K84 A85 F93 L118	L32-V67 PolarHBondContact N-O 3.44Å; L32-V67 PolarHBondContact O-N 3.38Å; L49-V67 HydrophobicContact CD1-CG2 3.79Å; L49-V67 HydrophobicContact CD2-CB 3.94Å; L49-V67 HydrophobicContact CD2-CG2 3.64Å; L49-V67 HydrophobicContact CG-CG2 4.41Å; P64-V67 HydrophobicContact CB-CG2 3.91Å; P64-V67 HydrophobicContact CG-CG2 3.65Å; V67-C83 HydrophobicContact CG1-CB 3.89Å; V67-K84 WeakPolarHBondContact CG1-O 3.15Å; V67-A85 HydrophobicContact CB-CB 4.42Å; V67-A85 HydrophobicContact CG1-CB 4.34Å; V67-A85 HydrophobicContact CG2-CB 3.94Å; V67-F93 HydrophobicContact CG1-CZ 4.28Å; V67-F93 HydrophobicContact CG2-CZ 4.1Å; V67-L118 HydrophobicContact CB-CD2 4.06Å; V67-L118 HydrophobicContact CG1-CD2 3.61Å; V67-L118 HydrophobicContact CG2-CD2 4.2Å
68	Q	97.7	Very high	93.6	Very high	79 Å²	79	74.1 Å²	74.1	37%	0.369	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.5	173.4	-72.4	-174.5	-21.8	0	0	109.6	I30 T31 Y70 C83 K84	I30-Q68 WeakPolarHBondContact O-CA 3.2Å; T31-Q68 HydrophobicContact CG2-CG 4.07Å; Q68-Y70 HydrophobicContact CB-CE2 3.92Å; Q68-Y70 PolarHBondContact OE1-OH 3.17Å; Q68-C83 CarbonylContact O-C 3.06Å; Q68-C83 WeakPolarHBondContact O-CA 3.28Å; Q68-K84 PolarHBondContact N-O 3.28Å; Q68-K84 PolarHBondContact O-N 3.39Å
69	C	97.8	Very high	93.9	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.6	176.1	-59.7	0	0	0	0	110	V29 I30 W81 E82 C83	V29-C69 CarbonylContact C-O 3.59Å; V29-C69 VanDerWaalsContact CA-O 3.3Å; V29-C69 WeakPolarHBondContact CA-O 3.46Å; I30-C69 HydrophobicContact CB-CB 4.38Å; I30-C69 PolarHBondContact N-O 3.39Å; I30-C69 PolarHBondContact O-N 2.9Å; C69-W81 HydrophobicContact CB-CE3 3.91Å; C69-E82 CarbonylContact C-O 3.47Å; C69-E82 WeakPolarHBondContact CA-O 3.28Å; C69-C83 HydrophobicContact CB-CB 4.15Å; C69-C83 WeakPolarHBondContact CB-SG 3.39Å; C69-C83 WeakPolarHBondContact SG-CB 3.24Å; C69-C83 CovalentContact SG-SG 2.05Å; C69-C83 PolarHBondContact SG-SG 3.4Å
70	Y	97.7	Very high	94.2	Very high	69 Å²	69	66.3 Å²	66.3	27%	0.271	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.8	-179.6	-60.8	-90.6	0	0	0	109.6	V29 Q68 R72 W81 E82 K84	V29-Y70 HydrophobicContact CG1-CD1 4.21Å; V29-Y70 HydrophobicContact CG1-CE1 4.1Å; V29-Y70 HydrophobicContact CG2-CD1 3.63Å; V29-Y70 HydrophobicContact CG2-CE1 3.91Å; Q68-Y70 HydrophobicContact CB-CE2 3.92Å; Q68-Y70 PolarHBondContact OE1-OH 3.17Å; Y70-R72 PolarHBondContact O-N 3.15Å; Y70-W81 VanDerWaalsContact C-CE3 3.46Å; Y70-W81 WeakPolarHBondContact O-CA 3.4Å; Y70-E82 PolarHBondContact N-O 2.84Å; Y70-E82 PolarHBondContact O-N 2.83Å; Y70-K84 HydrophobicContact CE2-CB 4.5Å; Y70-K84 HydrophobicContact CE2-CD 4.19Å; Y70-K84 HydrophobicContact CE2-CG 4.43Å
71	N	96.6	Very high	94.5	Very high	39 Å²	39	62.4 Å²	62.4	21%	0.209	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	120	171.2	-176.6	-17.6	0	0	0	109	R25 V27 D28 G73 V79 W81	R25-N71 PolarHBondContact O-ND2 2.84Å; V27-N71 WeakPolarHBondContact O-CB 3.34Å; V27-N71 PolarHBondContact O-ND2 3.4Å; D28-N71 WeakPolarHBondContact O-CB 3.26Å; D28-N71 PolarHBondContact O-N 3.04Å; N71-G73 PolarHBondContact OD1-N 2.99Å; N71-G73 PolarHBondContact OD1-O 3.09Å; N71-V79 HydrophobicContact CB-CG1 4.09Å; N71-V79 WeakPolarHBondContact ND2-CG1 3.16Å; N71-V79 VanDerWaalsContact OD1-CG1 3.26Å; N71-V79 WeakPolarHBondContact OD1-CG1 3.39Å; N71-W81 HydrophobicContact CB-CE3 4.27Å; N71-W81 HydrophobicContact CB-CH2 4.06Å; N71-W81 HydrophobicContact CB-CZ3 3.79Å
72	R	96.4	Very high	94.9	Very high	138 Å²	138	58.7 Å²	58.7	52%	0.521	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	2.5	-179.2	-65.8	-52.2	-167.2	-174.4	-0.8	113.4	Y70 Q80 E82	Y70-R72 PolarHBondContact O-N 3.15Å; R72-Q80 WeakPolarHBondContact CB-O 3.23Å; R72-Q80 PolarHBondContact N-O 3.22Å; R72-E82 HydrophobicContact CG-CB 3.63Å; R72-E82 IonicContact CZ-OE2 3.76Å; R72-E82 IonicContact NE-OE2 3.46Å; R72-E82 PolarHBondContact NE-OE2 3.16Å; R72-E82 IonicContact NH2-OE2 3.27Å; R72-E82 PolarHBondContact NH2-OE2 3.31Å
73	G	94.8	Very high	95.2	Very high	32 Å²	32	56.8 Å²	56.8	33%	0.33	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.3	177.6	177.7	0	0	0	0	0	112.5	N71 Q80	N71-G73 PolarHBondContact OD1-N 2.99Å; N71-G73 PolarHBondContact OD1-O 3.09Å; G73-Q80 PolarHBondContact O-N 3.46Å
74	F	93.2	Very high	95.3	Very high	79 Å²	79	57.8 Å²	57.8	35%	0.346	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.2	-179.8	-177.9	-106.2	0	0	0	108.7	R25 G76 R77 D78 V79	R25-F74 HydrophobicContact CG-CD2 3.97Å; R25-F74 HydrophobicContact CG-CE2 4.25Å; R25-F74 HydrophobicContact CG-CG 4.43Å; R25-F74 VanDerWaalsContact CZ-CE1 3.45Å; F74-G76 VanDerWaalsContact C-N 3.35Å; F74-G76 WeakPolarHBondContact CZ-O 3.41Å; F74-R77 WeakPolarHBondContact CE2-O 3.27Å; F74-D78 VanDerWaalsContact CD2-C 3.43Å; F74-D78 VanDerWaalsContact CD2-O 3.23Å; F74-D78 WeakPolarHBondContact CD2-O 3.42Å; F74-V79 HydrophobicContact CD2-CG2 4.23Å
75	D	91.1	Very high	95.4	Very high	93 Å²	93	58 Å²	58	50%	0.497	28%	0.284	S	S	.	.			trans	-91.3	5.8	-174.2	65.9	3.1	0	0	0	114.1	R77 D78 Q80	D75-R77 WeakPolarHBondContact OD1-CA 3.35Å; D75-R77 PolarHBondContact OD1-N 3.46Å; D75-D78 PolarHBondContact N-O 3.32Å; D75-D78 PolarHBondContact OD1-N 3.06Å; D75-D78 VanDerWaalsContact OD1-O 3.05Å; D75-Q80 HydrophobicContact CB-CG 4.36Å; D75-Q80 PolarHBondContact OD2-NE2 2.94Å
76	G	89.1	Confident	95.4	Very high	61 Å²	61	55.5 Å²	55.5	63%	0.629	28%	0.275	S	S	*	.	S	Bend	trans	100.1	-16.4	-173.6	0	0	0	0	0	113.6	F74	F74-G76 VanDerWaalsContact C-N 3.35Å; F74-G76 WeakPolarHBondContact CZ-O 3.41Å
77	R	88	Confident	95.2	Very high	197 Å²	197	53.1 Å²	53.1	74%	0.743	26%	0.261	S	S	*	.	S	Bend	trans	-119.5	-54.7	177.7	-177.4	-173.9	-70.2	-88.4	-3.1	111.8	F74 D75	F74-R77 WeakPolarHBondContact CE2-O 3.27Å; D75-R77 WeakPolarHBondContact OD1-CA 3.35Å; D75-R77 PolarHBondContact OD1-N 3.46Å
78	D	91	Very high	94.9	Very high	31 Å²	31	54.1 Å²	54.1	17%	0.166	27%	0.266	C	S	.	.	S	Bend	trans	-138.6	165.3	-175.2	-70.4	-56	0	0	0	112.1	F74 D75 R334	F74-D78 VanDerWaalsContact CD2-C 3.43Å; F74-D78 VanDerWaalsContact CD2-O 3.23Å; F74-D78 WeakPolarHBondContact CD2-O 3.42Å; D75-D78 PolarHBondContact N-O 3.32Å; D75-D78 PolarHBondContact OD1-N 3.06Å; D75-D78 VanDerWaalsContact OD1-O 3.05Å; D78-R334 IonicContact OD1-CZ 2.69Å; D78-R334 IonicContact OD1-NE 2.86Å; D78-R334 IonicContact OD1-NH2 3.91Å; D78-R334 PolarHBondContact OD1-NH2 2.99Å
79	V	94.7	Very high	94.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.1	173.3	175.4	0	0	0	0	109.7	L24 R25 N71 F74 W81 T332	L24-V79 HydrophobicContact CD2-CG2 4.48Å; L24-V79 HydrophobicContact CG-CG2 4.03Å; R25-V79 HydrophobicContact CG-CG2 4.21Å; N71-V79 HydrophobicContact CB-CG1 4.09Å; N71-V79 WeakPolarHBondContact ND2-CG1 3.16Å; N71-V79 VanDerWaalsContact OD1-CG1 3.26Å; N71-V79 WeakPolarHBondContact OD1-CG1 3.39Å; F74-V79 HydrophobicContact CD2-CG2 4.23Å; V79-W81 HydrophobicContact CB-CZ2 4.37Å; V79-W81 HydrophobicContact CG1-CD2 4.1Å; V79-W81 HydrophobicContact CG1-CG 4.47Å; V79-W81 HydrophobicContact CG1-CH2 4.38Å; V79-W81 HydrophobicContact CG1-CZ2 3.74Å; V79-T332 PolarHBondContact O-OG1 3.18Å
80	Q	96.3	Very high	94.2	Very high	72 Å²	72	55 Å²	55	34%	0.336	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.1	175.6	-65.3	-63.1	-31.9	0	0	109.6	R72 G73 D75	R72-Q80 WeakPolarHBondContact CB-O 3.23Å; R72-Q80 PolarHBondContact N-O 3.22Å; G73-Q80 PolarHBondContact O-N 3.46Å; D75-Q80 HydrophobicContact CB-CG 4.36Å; D75-Q80 PolarHBondContact OD2-NE2 2.94Å
81	W	97.2	Very high	94	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.2	-177.7	-65.3	99	0	0	0	111.8	L24 V27 I30 C69 Y70 N71 V79 V98 F329 G330 T332	L24-W81 HydrophobicContact CD1-CZ2 4.2Å; V27-W81 HydrophobicContact CB-CH2 3.99Å; V27-W81 HydrophobicContact CG1-CH2 3.78Å; V27-W81 WeakPolarHBondContact O-CH2 3.45Å; I30-W81 HydrophobicContact CD1-CE3 4.34Å; I30-W81 HydrophobicContact CD1-CH2 3.46Å; I30-W81 VanDerWaalsContact CD1-CH2 3.46Å; I30-W81 HydrophobicContact CD1-CZ2 3.64Å; I30-W81 HydrophobicContact CD1-CZ3 3.82Å; I30-W81 HydrophobicContact CG1-CH2 3.74Å; I30-W81 HydrophobicContact CG1-CZ2 4.42Å; I30-W81 HydrophobicContact CG1-CZ3 3.85Å; C69-W81 HydrophobicContact CB-CE3 3.91Å; Y70-W81 VanDerWaalsContact C-CE3 3.46Å; Y70-W81 WeakPolarHBondContact O-CA 3.4Å; N71-W81 HydrophobicContact CB-CE3 4.27Å; N71-W81 HydrophobicContact CB-CH2 4.06Å; N71-W81 HydrophobicContact CB-CZ3 3.79Å; V79-W81 HydrophobicContact CB-CZ2 4.37Å; V79-W81 HydrophobicContact CG1-CD2 4.1Å; V79-W81 HydrophobicContact CG1-CG 4.47Å; V79-W81 HydrophobicContact CG1-CH2 4.38Å; V79-W81 HydrophobicContact CG1-CZ2 3.74Å; W81-V98 HydrophobicContact CB-CG2 3.93Å; W81-V98 HydrophobicContact CD2-CG2 4.13Å; W81-V98 HydrophobicContact CG-CB 4.25Å; W81-V98 HydrophobicContact CG-CG2 3.61Å; W81-F329 WeakPolarHBondContact O-CA 3.2Å; W81-G330 PolarHBondContact N-O 3.4Å; W81-G330 PolarHBondContact O-N 3.06Å; W81-T332 VanDerWaalsContact CD1-OG1 3.29Å; W81-T332 PolarHBondContact NE1-OG1 3.32Å
82	E	97.6	Very high	93.9	Very high	16 Å²	16	51 Å²	51	8%	0.075	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.2	160.4	-176.7	-175	-172.8	0	0	109.5	C69 Y70 R72 K84 S327 G328 F329	C69-E82 CarbonylContact C-O 3.47Å; C69-E82 WeakPolarHBondContact CA-O 3.28Å; Y70-E82 PolarHBondContact N-O 2.84Å; Y70-E82 PolarHBondContact O-N 2.83Å; R72-E82 HydrophobicContact CG-CB 3.63Å; R72-E82 IonicContact CZ-OE2 3.76Å; R72-E82 IonicContact NE-OE2 3.46Å; R72-E82 PolarHBondContact NE-OE2 3.16Å; R72-E82 IonicContact NH2-OE2 3.27Å; R72-E82 PolarHBondContact NH2-OE2 3.31Å; E82-K84 HydrophobicContact CG-CG 4.34Å; E82-K84 WeakPolarHBondContact OE1-CE 3.43Å; E82-K84 IonicContact OE1-NZ 3.01Å; E82-K84 PolarHBondContact OE1-NZ 3.01Å; E82-K84 WeakPolarHBondContact OE2-CE 3.28Å; E82-K84 IonicContact OE2-NZ 2.84Å; E82-S327 WeakPolarHBondContact OE1-CB 3.47Å; E82-S327 PolarHBondContact OE1-OG 2.76Å; E82-G328 CarbonylContact C-O 3.53Å; E82-G328 WeakPolarHBondContact CA-O 3.37Å; E82-F329 HydrophobicContact CB-CD1 3.8Å; E82-F329 HydrophobicContact CB-CE1 3.58Å; E82-F329 HydrophobicContact CB-CZ 4.39Å; E82-F329 HydrophobicContact CG-CD1 3.92Å; E82-F329 HydrophobicContact CG-CE1 3.41Å; E82-F329 VanDerWaalsContact CG-CE1 3.41Å; E82-F329 HydrophobicContact CG-CE2 4.46Å; E82-F329 HydrophobicContact CG-CZ 3.72Å
83	C	97.9	Very high	93.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.4	177.5	-62.9	0	0	0	0	111	V67 Q68 C69 L118 S327 G328	V67-C83 HydrophobicContact CG1-CB 3.89Å; Q68-C83 CarbonylContact O-C 3.06Å; Q68-C83 WeakPolarHBondContact O-CA 3.28Å; C69-C83 HydrophobicContact CB-CB 4.15Å; C69-C83 WeakPolarHBondContact CB-SG 3.39Å; C69-C83 WeakPolarHBondContact SG-CB 3.24Å; C69-C83 CovalentContact SG-SG 2.05Å; C69-C83 PolarHBondContact SG-SG 3.4Å; C83-L118 HydrophobicContact CB-CD2 4.26Å; C83-S327 CarbonylContact O-C 3.6Å; C83-S327 WeakPolarHBondContact O-CA 3.46Å; C83-G328 PolarHBondContact N-O 3.23Å; C83-G328 PolarHBondContact O-N 3.17Å
84	K	97.8	Very high	93.9	Very high	70 Å²	70	44.6 Å²	44.6	30%	0.304	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.3	-179.6	-63.9	-173.1	179	-176.9	0	111.2	V67 Q68 Y70 E82 I325 S326 S327	V67-K84 WeakPolarHBondContact CG1-O 3.15Å; Q68-K84 PolarHBondContact N-O 3.28Å; Q68-K84 PolarHBondContact O-N 3.39Å; Y70-K84 HydrophobicContact CE2-CB 4.5Å; Y70-K84 HydrophobicContact CE2-CD 4.19Å; Y70-K84 HydrophobicContact CE2-CG 4.43Å; E82-K84 HydrophobicContact CG-CG 4.34Å; E82-K84 WeakPolarHBondContact OE1-CE 3.43Å; E82-K84 IonicContact OE1-NZ 3.01Å; E82-K84 PolarHBondContact OE1-NZ 3.01Å; E82-K84 WeakPolarHBondContact OE2-CE 3.28Å; E82-K84 IonicContact OE2-NZ 2.84Å; K84-I325 HydrophobicContact CB-CG2 4.39Å; K84-S326 WeakPolarHBondContact CA-O 3.26Å; K84-S327 WeakPolarHBondContact CE-OG 3.28Å
85	A	97.2	Very high	93.9	Very high	7 Å²	7	43.6 Å²	43.6	6%	0.058	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.6	171.3	0	0	0	0	0	111.4	P64 V67 L87 F93 I325 S326	P64-A85 HydrophobicContact CB-CB 3.78Å; P64-A85 HydrophobicContact CG-CB 4.44Å; V67-A85 HydrophobicContact CB-CB 4.42Å; V67-A85 HydrophobicContact CG1-CB 4.34Å; V67-A85 HydrophobicContact CG2-CB 3.94Å; A85-L87 HydrophobicContact CB-CD2 4.49Å; A85-L87 HydrophobicContact CB-CG 4.46Å; A85-F93 HydrophobicContact CB-CE2 3.53Å; A85-F93 HydrophobicContact CB-CZ 3.5Å; A85-I325 WeakPolarHBondContact O-CA 3.47Å; A85-S326 PolarHBondContact N-O 3.2Å; A85-S326 VanDerWaalsContact N-O 3.13Å; A85-S326 PolarHBondContact O-N 2.81Å
86	E	95.5	Very high	94.2	Very high	127 Å²	127	39.8 Å²	39.8	59%	0.593	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.3	167.7	-173.4	176.4	-173.6	0	0	109.2	T323	E86-T323 HydrophobicContact CG-CG2 4.01Å; E86-T323 WeakPolarHBondContact OE1-CB 3.33Å; E86-T323 PolarHBondContact OE1-OG1 3.36Å
87	L	94.2	Very high	94.6	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.7	-178.4	-65.2	-178.3	0	0	0	110.6	P64 A85 V91 F93 L122 T323 H324	P64-L87 HydrophobicContact CB-CD2 3.72Å; P64-L87 HydrophobicContact CG-CD2 3.99Å; A85-L87 HydrophobicContact CB-CD2 4.49Å; A85-L87 HydrophobicContact CB-CG 4.46Å; L87-V91 HydrophobicContact CB-CG2 4.06Å; L87-F93 HydrophobicContact CD1-CD1 4.25Å; L87-F93 HydrophobicContact CD1-CD2 4.12Å; L87-F93 HydrophobicContact CD1-CE1 4.25Å; L87-F93 HydrophobicContact CD1-CE2 4.13Å; L87-F93 HydrophobicContact CD1-CG 4.18Å; L87-F93 HydrophobicContact CD1-CZ 4.19Å; L87-L122 HydrophobicContact CD1-CD1 3.88Å; L87-L122 HydrophobicContact CD2-CD1 4.46Å; L87-T323 CarbonylContact O-C 3.59Å; L87-T323 VanDerWaalsContact O-CA 3.28Å; L87-T323 WeakPolarHBondContact O-CA 3.34Å; L87-H324 PolarHBondContact N-O 2.97Å; L87-H324 PolarHBondContact O-N 3.35Å; L87-H324 PolarHBondContact O-ND1 3.13Å
88	D	92.1	Very high	95	Very high	21 Å²	21	30 Å²	30	11%	0.112	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	142.1	170.5	-174.9	-81.5	0	0	0	110	Y62 S90 V91 H324	Y62-D88 HydrophobicContact CD1-CB 3.69Å; Y62-D88 HydrophobicContact CE1-CB 3.92Å; D88-S90 PolarHBondContact O-N 3.41Å; D88-S90 WeakPolarHBondContact OD1-CB 3.47Å; D88-S90 PolarHBondContact OD1-N 3.31Å; D88-S90 PolarHBondContact OD1-OG 3.26Å; D88-V91 HydrophobicContact CB-CG2 4.36Å; D88-V91 WeakPolarHBondContact O-CG2 3.49Å; D88-V91 PolarHBondContact O-N 3.32Å; D88-H324 PolarHBondContact O-CE1 3.03Å; D88-H324 PolarHBondContact O-ND1 3.14Å
89	K	90.8	Very high	95.2	Very high	92 Å²	92	29.5 Å²	29.5	40%	0.4	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.4	179.5	-79.8	-176.2	-168.9	173.7	0	114.6	V91 R125 E322 H324	K89-V91 VanDerWaalsContact C-N 3.34Å; K89-R125 WeakPolarHBondContact O-CD 3.27Å; K89-E322 WeakPolarHBondContact CB-O 3.39Å; K89-E322 HydrophobicContact CD-CB 3.51Å; K89-E322 VanDerWaalsContact CD-OE2 3.27Å; K89-E322 WeakPolarHBondContact CD-OE2 3.31Å; K89-E322 VanDerWaalsContact CE-CB 3.47Å; K89-E322 WeakPolarHBondContact CE-OE2 3.25Å; K89-E322 HydrophobicContact CG-CB 4.09Å; K89-E322 VanDerWaalsContact CG-O 3.28Å; K89-E322 WeakPolarHBondContact CG-O 3.33Å; K89-E322 PolarHBondContact N-O 3.04Å; K89-E322 VanDerWaalsContact NZ-CD 3.29Å; K89-E322 IonicContact NZ-OE1 2.92Å; K89-E322 IonicContact NZ-OE2 3.72Å; K89-E322 PolarHBondContact NZ-OE2 2.75Å; K89-H324 HydrophobicContact CG-CB 4.21Å
90	S	89.1	Confident	95.2	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.042	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.3	176.2	61.9	0	0	0	0	114.3	Y62 D88 V124 R125	Y62-S90 WeakPolarHBondContact CE1-OG 3.34Å; D88-S90 PolarHBondContact O-N 3.41Å; D88-S90 WeakPolarHBondContact OD1-CB 3.47Å; D88-S90 PolarHBondContact OD1-N 3.31Å; D88-S90 PolarHBondContact OD1-OG 3.26Å; S90-V124 CarbonylContact O-C 3.48Å; S90-V124 WeakPolarHBondContact O-CA 3.48Å; S90-R125 PolarHBondContact O-N 3.4Å
91	V	93.3	Very high	95.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	163.8	-178.5	-66.2	0	0	0	0	111.6	Y62 L87 D88 K89 L122 N123 V124 R125 H324	Y62-V91 HydrophobicContact CD2-CG1 3.8Å; Y62-V91 HydrophobicContact CE2-CG1 4.45Å; Y62-V91 HydrophobicContact CG-CG1 3.9Å; Y62-V91 HydrophobicContact CG-CG2 4.33Å; L87-V91 HydrophobicContact CB-CG2 4.06Å; D88-V91 HydrophobicContact CB-CG2 4.36Å; D88-V91 WeakPolarHBondContact O-CG2 3.49Å; D88-V91 PolarHBondContact O-N 3.32Å; K89-V91 VanDerWaalsContact C-N 3.34Å; V91-L122 HydrophobicContact CB-CD1 3.85Å; V91-L122 HydrophobicContact CB-CD2 4.11Å; V91-L122 HydrophobicContact CB-CG 3.85Å; V91-L122 HydrophobicContact CG1-CD2 4.02Å; V91-L122 HydrophobicContact CG1-CG 4.11Å; V91-L122 HydrophobicContact CG2-CD1 3.95Å; V91-L122 HydrophobicContact CG2-CD2 4.24Å; V91-L122 HydrophobicContact CG2-CG 4.31Å; V91-N123 CarbonylContact C-O 3.14Å; V91-N123 WeakPolarHBondContact CA-O 3.46Å; V91-V124 HydrophobicContact CG1-CG2 4.42Å; V91-R125 WeakPolarHBondContact O-CD 3.08Å; V91-H324 PolarHBondContact O-CE1 3.07Å; V91-H324 PolarHBondContact O-NE2 3.11Å
92	S	94.6	Very high	94.9	Very high	24 Å²	24	26.1 Å²	26.1	17%	0.168	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.1	170.2	56.2	0	0	0	0	109.8	N123	S92-N123 PolarHBondContact N-O 2.75Å; S92-N123 PolarHBondContact O-N 2.72Å
93	F	96.1	Very high	94.6	Very high	16 Å²	16	26.3 Å²	26.3	7%	0.07	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	140.2	171.6	-73	-54	0	0	0	111.6	P64 V67 A85 L87 V96 Y120 S326	P64-F93 HydrophobicContact CG-CE1 4.27Å; P64-F93 HydrophobicContact CG-CZ 4.16Å; V67-F93 HydrophobicContact CG1-CZ 4.28Å; V67-F93 HydrophobicContact CG2-CZ 4.1Å; A85-F93 HydrophobicContact CB-CE2 3.53Å; A85-F93 HydrophobicContact CB-CZ 3.5Å; L87-F93 HydrophobicContact CD1-CD1 4.25Å; L87-F93 HydrophobicContact CD1-CD2 4.12Å; L87-F93 HydrophobicContact CD1-CE1 4.25Å; L87-F93 HydrophobicContact CD1-CE2 4.13Å; L87-F93 HydrophobicContact CD1-CG 4.18Å; L87-F93 HydrophobicContact CD1-CZ 4.19Å; F93-V96 HydrophobicContact CB-CG1 4.26Å; F93-V96 HydrophobicContact CD1-CG1 4.36Å; F93-V96 HydrophobicContact CG-CG1 4.36Å; F93-Y120 HydrophobicContact CD1-CD2 4.02Å; F93-Y120 HydrophobicContact CD1-CG 4.38Å; F93-Y120 AromaticContact CE1-CD2 3.78Å; F93-Y120 HydrophobicContact CE1-CD2 3.78Å; F93-Y120 HydrophobicContact CE1-CE2 4.37Å; F93-Y120 HydrophobicContact CE1-CG 4.05Å; F93-S326 WeakPolarHBondContact CD2-O 3.27Å; F93-S326 PolarHBondContact N-OG 2.92Å
94	G	94.2	Very high	94.3	Very high	20 Å²	20	30.8 Å²	30.8	21%	0.206	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-130.8	165.7	0	0	0	0	0	110.4	E121 N123	G94-E121 PolarHBondContact N-O 3.34Å; G94-N123 WeakPolarHBondContact CA-ND2 3.28Å
95	A	94.9	Very high	94	Very high	58 Å²	58	33.7 Å²	33.7	48%	0.479	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	139	171.2	0	0	0	0	0	110.8	Y120 E121	A95-Y120 CarbonylContact O-C 3.56Å; A95-Y120 WeakPolarHBondContact O-CA 3.47Å; A95-E121 HydrophobicContact CB-CG 4.21Å; A95-E121 PolarHBondContact O-N 3.25Å
96	V	96.9	Very high	93.5	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.1	175	-59.6	0	0	0	0	109.6	F93 L118 E119 G328 F329 G330	F93-V96 HydrophobicContact CB-CG1 4.26Å; F93-V96 HydrophobicContact CD1-CG1 4.36Å; F93-V96 HydrophobicContact CG-CG1 4.36Å; V96-L118 HydrophobicContact CB-CD1 4.19Å; V96-E119 CarbonylContact C-O 3.39Å; V96-E119 WeakPolarHBondContact CA-O 3.24Å; V96-G328 VanDerWaalsContact CG2-C 3.5Å; V96-F329 WeakPolarHBondContact CG2-O 3.25Å; V96-G330 WeakPolarHBondContact O-CA 3.5Å
97	N	96.6	Very high	93.1	Very high	52 Å²	52	37.6 Å²	37.6	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	122.8	179.6	-176.8	29.3	0	0	0	110.1	E119 G331 S333	N97-E119 PolarHBondContact N-O 2.85Å; N97-E119 PolarHBondContact O-N 3.32Å; N97-G331 PolarHBondContact OD1-O 3.05Å; N97-S333 PolarHBondContact OD1-N 2.78Å
98	V	96.6	Very high	93	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.5	176.2	178.4	0	0	0	0	108.4	I30 W81 C116 A117 L118 G331 T332 S333	I30-V98 HydrophobicContact CD1-CG1 3.9Å; W81-V98 HydrophobicContact CB-CG2 3.93Å; W81-V98 HydrophobicContact CD2-CG2 4.13Å; W81-V98 HydrophobicContact CG-CB 4.25Å; W81-V98 HydrophobicContact CG-CG2 3.61Å; V98-C116 HydrophobicContact CG1-CB 4.34Å; V98-A117 CarbonylContact C-O 3.53Å; V98-A117 WeakPolarHBondContact CA-O 3.27Å; V98-L118 HydrophobicContact CG2-CD1 4Å; V98-G331 PolarHBondContact N-O 3.09Å; V98-G331 VanDerWaalsContact N-O 3.17Å; V98-T332 CarbonylContact O-C 3.57Å; V98-T332 VanDerWaalsContact O-CA 3.24Å; V98-T332 WeakPolarHBondContact O-CA 3.23Å; V98-T332 WeakPolarHBondContact O-CG2 3.49Å; V98-S333 PolarHBondContact O-N 2.87Å
99	N	95.2	Very high	93	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.102	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.6	-179	-174.5	5	0	0	0	111	C116 A117 S333	N99-C116 CarbonylContact O-C 3.52Å; N99-C116 WeakPolarHBondContact O-CA 3.21Å; N99-A117 PolarHBondContact N-O 3.19Å; N99-A117 PolarHBondContact O-N 2.61Å; N99-S333 CarbonylContact C-O 3.55Å; N99-S333 VanDerWaalsContact CA-O 3.29Å; N99-S333 WeakPolarHBondContact CA-O 3.33Å; N99-S333 PolarHBondContact OD1-O 2.84Å
100	C	94.9	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151.9	-179.7	-55.6	0	0	0	0	111.7	I111 C116 S333 R334 R335	C100-I111 HydrophobicContact CB-CB 4.25Å; C100-I111 HydrophobicContact CB-CD1 4.15Å; C100-I111 HydrophobicContact CB-CG2 3.8Å; C100-C116 HydrophobicContact CB-CB 4.14Å; C100-C116 WeakPolarHBondContact CB-SG 3.36Å; C100-C116 WeakPolarHBondContact SG-CB 3.2Å; C100-C116 CovalentContact SG-SG 2.05Å; C100-C116 PolarHBondContact SG-SG 3.19Å; C100-S333 PolarHBondContact N-O 2.57Å; C100-R334 WeakPolarHBondContact O-CA 3.36Å; C100-R335 PolarHBondContact O-N 2.84Å
101	E	93.6	Very high	93.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	21%	0.211	C	C	.	.			trans	-82	127	173.8	-170.8	-176.4	134	0	0	110.1	S40 R41 I111 V112 S115 R335	S40-E101 WeakPolarHBondContact CA-OE2 3.34Å; S40-E101 WeakPolarHBondContact CB-OE2 3.42Å; S40-E101 PolarHBondContact OG-OE2 2.86Å; R41-E101 WeakPolarHBondContact CB-OE1 3.44Å; R41-E101 WeakPolarHBondContact CG-OE1 3.33Å; R41-E101 IonicContact CZ-OE1 3.09Å; R41-E101 PolarHBondContact N-OE1 3.31Å; R41-E101 PolarHBondContact N-OE2 3.03Å; R41-E101 IonicContact NE-OE1 2.75Å; R41-E101 PolarHBondContact NE-OE1 2.69Å; R41-E101 IonicContact NH2-OE1 2.64Å; E101-I111 CarbonylContact O-C 3.55Å; E101-I111 VanDerWaalsContact O-CA 3.23Å; E101-I111 WeakPolarHBondContact O-CA 3.45Å; E101-I111 WeakPolarHBondContact O-CB 3.42Å; E101-V112 HydrophobicContact CB-CB 4.4Å; E101-V112 HydrophobicContact CB-CG2 4.38Å; E101-V112 HydrophobicContact CG-CG2 4.29Å; E101-V112 PolarHBondContact O-N 2.9Å; E101-S115 PolarHBondContact N-OG 3.28Å; E101-R335 HydrophobicContact CB-CG 4.37Å
102	G	93.4	Very high	93.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-67.1	147.5	174.6	0	0	0	0	0	111.8	R41 Y105 R335	R41-G102 PolarHBondContact NH2-O 3.24Å; G102-Y105 WeakPolarHBondContact CA-O 3.35Å; G102-R335 PolarHBondContact N-O 3.29Å; G102-R335 VanDerWaalsContact N-O 3.07Å
103	Y	92.2	Very high	93.4	Very high	19 Å²	19	46.4 Å²	46.4	8%	0.075	23%	0.231	C	C	.	.	S	Bend	trans	-79.4	-54.9	-175.9	-163.6	-94.7	0	0	0	112.5	S19 R21 R41 Y110 V112	S19-Y103 VanDerWaalsContact O-CE2 3.26Å; S19-Y103 WeakPolarHBondContact O-CE2 3.29Å; S19-Y103 PolarHBondContact O-OH 3.38Å; R21-Y103 HydrophobicContact CB-CD1 4.19Å; R21-Y103 HydrophobicContact CB-CD2 3.75Å; R21-Y103 HydrophobicContact CB-CE1 4.03Å; R21-Y103 HydrophobicContact CB-CE2 3.58Å; R21-Y103 HydrophobicContact CB-CG 4.05Å; R21-Y103 HydrophobicContact CG-CD1 3.81Å; R21-Y103 HydrophobicContact CG-CD2 3.89Å; R21-Y103 HydrophobicContact CG-CE1 4.1Å; R21-Y103 HydrophobicContact CG-CE2 4.18Å; R21-Y103 HydrophobicContact CG-CG 3.69Å; R41-Y103 PolarHBondContact NH1-O 3.4Å; R41-Y103 PolarHBondContact NH2-O 2.89Å; Y103-Y110 PolarHBondContact N-O 3.16Å; Y103-V112 HydrophobicContact CD2-CG2 3.94Å
104	D	91	Very high	93.2	Very high	95 Å²	95	47.6 Å²	47.6	51%	0.508	25%	0.248	S	C	.	.	S	Bend	trans	-92.6	-35.3	178.4	-64.4	-44.1	0	0	0	111.2	R21 D108	R21-D104 IonicContact CZ-OD2 3.65Å; R21-D104 VanDerWaalsContact CZ-OD2 3.27Å; R21-D104 IonicContact NH1-OD2 2.81Å; R21-D104 PolarHBondContact NH1-OD2 2.89Å; R21-D104 IonicContact NH2-OD2 3.7Å; R21-D104 PolarHBondContact NH2-OD2 3.47Å; D104-D108 WeakPolarHBondContact CB-OD2 3.37Å; D104-D108 PolarHBondContact N-OD2 3.4Å
105	Y	90.9	Very high	93.3	Very high	130 Å²	130	46.7 Å²	46.7	51%	0.51	24%	0.238	S	C	.	.	S	Bend	trans	-154.7	165.7	-179.4	53.3	-86.8	0	0	0	111.2	G102 E107 D108	G102-Y105 WeakPolarHBondContact CA-O 3.35Å; Y105-E107 HydrophobicContact CD2-CB 4.43Å; Y105-E107 VanDerWaalsContact CE2-C 3.41Å; Y105-E107 HydrophobicContact CE2-CB 4.4Å; Y105-E107 PolarHBondContact O-N 2.81Å; Y105-D108 HydrophobicContact CD1-CB 4.1Å; Y105-D108 HydrophobicContact CD2-CB 4.12Å; Y105-D108 HydrophobicContact CE1-CB 3.89Å; Y105-D108 VanDerWaalsContact CE2-CA 3.49Å; Y105-D108 HydrophobicContact CE2-CB 3.92Å; Y105-D108 VanDerWaalsContact CE2-N 3.28Å; Y105-D108 HydrophobicContact CG-CB 4.19Å; Y105-D108 WeakPolarHBondContact O-CB 3.28Å; Y105-D108 PolarHBondContact O-N 3.43Å; Y105-D108 VanDerWaalsContact O-N 3.13Å
106	P	88.4	Confident	93.3	Very high	70 Å²	70	44.4 Å²	44.4	46%	0.455	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.5	-171.8	-28.8	36.9	0	0	0	117.2	R334 R335	P106-R334 CarbonylContact O-C 3.57Å; P106-R334 WeakPolarHBondContact O-CA 3.47Å; P106-R334 WeakPolarHBondContact O-CB 3.17Å; P106-R335 PolarHBondContact O-N 3.29Å
107	E	86.8	Confident	93.3	Very high	147 Å²	147	44 Å²	44	69%	0.687	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123	23.8	178.8	-65.3	-175.7	-177.1	0	0	112.3	Y105 R334	Y105-E107 HydrophobicContact CD2-CB 4.43Å; Y105-E107 VanDerWaalsContact CE2-C 3.41Å; Y105-E107 HydrophobicContact CE2-CB 4.4Å; Y105-E107 PolarHBondContact O-N 2.81Å; E107-R334 PolarHBondContact O-NH1 3.47Å
108	D	90.8	Very high	93.3	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	20%	0.204	C	C	.	.			trans	-67.2	145.3	178.3	-174.1	-0.3	0	0	0	111.4	R21 D104 Y105 Y110 R334	R21-D108 IonicContact NH2-OD2 3.97Å; D104-D108 WeakPolarHBondContact CB-OD2 3.37Å; D104-D108 PolarHBondContact N-OD2 3.4Å; Y105-D108 HydrophobicContact CD1-CB 4.1Å; Y105-D108 HydrophobicContact CD2-CB 4.12Å; Y105-D108 HydrophobicContact CE1-CB 3.89Å; Y105-D108 VanDerWaalsContact CE2-CA 3.49Å; Y105-D108 HydrophobicContact CE2-CB 3.92Å; Y105-D108 VanDerWaalsContact CE2-N 3.28Å; Y105-D108 HydrophobicContact CG-CB 4.19Å; Y105-D108 WeakPolarHBondContact O-CB 3.28Å; Y105-D108 PolarHBondContact O-N 3.43Å; Y105-D108 VanDerWaalsContact O-N 3.13Å; D108-Y110 PolarHBondContact O-N 3.26Å; D108-Y110 PolarHBondContact OD1-N 2.78Å; D108-R334 VanDerWaalsContact O-CD 3.25Å; D108-R334 WeakPolarHBondContact O-CD 3.27Å; D108-R334 PolarHBondContact O-NH1 3.2Å
109	E	93	Very high	93.4	Very high	86 Å²	86	43.8 Å²	43.8	40%	0.402	21%	0.214	S	C	.	.	S	Bend	trans	-63.8	-25.7	172.7	-62.2	-167.3	137.6	0	0	111.4	L23 L24 R25	L23-E109 HydrophobicContact CD1-CB 3.86Å; L24-E109 WeakPolarHBondContact CB-O 3.47Å; L24-E109 PolarHBondContact N-O 3.38Å; R25-E109 IonicContact CZ-OE1 3.55Å; R25-E109 IonicContact NH1-OE1 3.73Å; R25-E109 IonicContact NH2-OE1 2.84Å; R25-E109 PolarHBondContact NH2-OE1 3.19Å
110	Y	94.1	Very high	93.5	Very high	85 Å²	85	42.9 Å²	42.9	33%	0.333	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	142.4	173.7	-63.8	-94.7	0	0	0	111.9	R21 V22 L23 Y103 D108	R21-Y110 HydrophobicContact CG-CD1 3.59Å; R21-Y110 HydrophobicContact CG-CE1 4.42Å; R21-Y110 HydrophobicContact CG-CG 3.93Å; V22-Y110 CarbonylContact O-C 3.58Å; V22-Y110 WeakPolarHBondContact O-CA 3.33Å; L23-Y110 HydrophobicContact CB-CD1 4.07Å; L23-Y110 HydrophobicContact CB-CE1 3.98Å; L23-Y110 HydrophobicContact CD1-CD1 4.13Å; L23-Y110 HydrophobicContact CD1-CD2 4.21Å; L23-Y110 HydrophobicContact CD1-CE1 3.98Å; L23-Y110 HydrophobicContact CD1-CE2 4.06Å; L23-Y110 HydrophobicContact CD1-CG 4.27Å; Y103-Y110 PolarHBondContact N-O 3.16Å; D108-Y110 PolarHBondContact O-N 3.26Å; D108-Y110 PolarHBondContact OD1-N 2.78Å
111	I	94.6	Very high	93.5	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	161.5	178.1	58.2	159.9	0	0	0	111.1	V22 L24 V27 C100 E101 C116	V22-I111 PolarHBondContact N-O 3Å; V22-I111 WeakPolarHBondContact O-CG1 3.17Å; V22-I111 PolarHBondContact O-N 3.4Å; L24-I111 HydrophobicContact CB-CG1 4.46Å; L24-I111 HydrophobicContact CB-CG2 4.15Å; L24-I111 HydrophobicContact CD1-CD1 3.97Å; L24-I111 HydrophobicContact CD1-CG2 4.34Å; V27-I111 HydrophobicContact CG2-CD1 4.26Å; C100-I111 HydrophobicContact CB-CB 4.25Å; C100-I111 HydrophobicContact CB-CD1 4.15Å; C100-I111 HydrophobicContact CB-CG2 3.8Å; E101-I111 CarbonylContact O-C 3.55Å; E101-I111 VanDerWaalsContact O-CA 3.23Å; E101-I111 WeakPolarHBondContact O-CA 3.45Å; E101-I111 WeakPolarHBondContact O-CB 3.42Å; I111-C116 VanDerWaalsContact CD1-SG 3.53Å
112	V	93.6	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.6	170.5	176.9	0	0	0	0	109.6	S19 Q39 R41 E101 Y103 G114 S115	S19-V112 VanDerWaalsContact CB-CG1 3.47Å; Q39-V112 HydrophobicContact CG-CG1 4.45Å; R41-V112 HydrophobicContact CG-CG1 4.43Å; R41-V112 HydrophobicContact CG-CG2 4.09Å; E101-V112 HydrophobicContact CB-CB 4.4Å; E101-V112 HydrophobicContact CB-CG2 4.38Å; E101-V112 HydrophobicContact CG-CG2 4.29Å; E101-V112 PolarHBondContact O-N 2.9Å; Y103-V112 HydrophobicContact CD2-CG2 3.94Å; V112-G114 PolarHBondContact O-N 3.5Å; V112-S115 VanDerWaalsContact O-CB 3.23Å; V112-S115 WeakPolarHBondContact O-CB 3.22Å; V112-S115 PolarHBondContact O-N 2.65Å; V112-S115 VanDerWaalsContact O-N 3.09Å; V112-S115 PolarHBondContact O-OG 3.12Å
113	Y	93.1	Very high	93.6	Very high	149 Å²	149	48.6 Å²	48.6	58%	0.584	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	128.2	176.9	-179.3	-98.3	0	0	0	111.6	R20 V22 S115	R20-Y113 HydrophobicContact CB-CG 4.43Å; R20-Y113 WeakPolarHBondContact O-CB 3.22Å; R20-Y113 PolarHBondContact O-N 3.38Å; V22-Y113 HydrophobicContact CG2-CD2 3.93Å; V22-Y113 HydrophobicContact CG2-CG 4.5Å; Y113-S115 VanDerWaalsContact C-N 3.27Å; Y113-S115 PolarHBondContact O-N 3.48Å
114	G	93.2	Very high	93.5	Very high	42 Å²	42	49.2 Å²	49.2	43%	0.433	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	10.2	179.8	0	0	0	0	0	115.1	Q39 V112	Q39-G114 WeakPolarHBondContact CB-O 3.31Å; Q39-G114 PolarHBondContact N-O 2.76Å; V112-G114 PolarHBondContact O-N 3.5Å
115	S	95	Very high	93.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.			trans	-88.4	-8.1	-178.9	70	0	0	0	0	115.7	Q39 E101 V112 Y113 R335	Q39-S115 WeakPolarHBondContact O-CA 3.3Å; Q39-S115 WeakPolarHBondContact O-CB 3.37Å; E101-S115 PolarHBondContact N-OG 3.28Å; V112-S115 VanDerWaalsContact O-CB 3.23Å; V112-S115 WeakPolarHBondContact O-CB 3.22Å; V112-S115 PolarHBondContact O-N 2.65Å; V112-S115 VanDerWaalsContact O-N 3.09Å; V112-S115 PolarHBondContact O-OG 3.12Å; Y113-S115 VanDerWaalsContact C-N 3.27Å; Y113-S115 PolarHBondContact O-N 3.48Å; S115-R335 PolarHBondContact O-NH2 2.86Å
116	C	95.5	Very high	92.1	Very high	11 Å²	11	50 Å²	50	7%	0.074	26%	0.257	C	S	.	.			trans	-71.2	138.8	-179.4	-60.5	0	0	0	0	111.8	I30 L32 V98 N99 C100 I111	I30-C116 HydrophobicContact CD1-CB 3.96Å; I30-C116 HydrophobicContact CG2-CB 4.25Å; L32-C116 VanDerWaalsContact CD2-O 3.27Å; L32-C116 WeakPolarHBondContact CD2-O 3.41Å; V98-C116 HydrophobicContact CG1-CB 4.34Å; N99-C116 CarbonylContact O-C 3.52Å; N99-C116 WeakPolarHBondContact O-CA 3.21Å; C100-C116 HydrophobicContact CB-CB 4.14Å; C100-C116 WeakPolarHBondContact CB-SG 3.36Å; C100-C116 WeakPolarHBondContact SG-CB 3.2Å; C100-C116 CovalentContact SG-SG 2.05Å; C100-C116 PolarHBondContact SG-SG 3.19Å; I111-C116 VanDerWaalsContact CD1-SG 3.53Å
117	A	96.6	Very high	90.5	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.033	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	161.4	172.5	0	0	0	0	0	109.4	A38 L46 P47 Q48 V98 N99	A38-A117 HydrophobicContact CB-CB 4.4Å; L46-A117 HydrophobicContact CB-CB 4.48Å; P47-A117 WeakPolarHBondContact O-CB 3.3Å; Q48-A117 CarbonylContact O-C 3.56Å; Q48-A117 WeakPolarHBondContact O-CA 3.34Å; V98-A117 CarbonylContact C-O 3.53Å; V98-A117 WeakPolarHBondContact CA-O 3.27Å; N99-A117 PolarHBondContact N-O 3.19Å; N99-A117 PolarHBondContact O-N 2.61Å
118	L	97.6	Very high	88.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121	178.1	178.9	71	0	0	0	109.8	L32 Q48 L49 K50 V67 C83 V96 V98 Y120	L32-L118 HydrophobicContact CD1-CB 3.37Å; Q48-L118 PolarHBondContact O-N 2.74Å; L49-L118 HydrophobicContact CD2-CB 3.95Å; L49-L118 HydrophobicContact CD2-CD2 4.01Å; K50-L118 PolarHBondContact N-O 3.01Å; V67-L118 HydrophobicContact CB-CD2 4.06Å; V67-L118 HydrophobicContact CG1-CD2 3.61Å; V67-L118 HydrophobicContact CG2-CD2 4.2Å; C83-L118 HydrophobicContact CB-CD2 4.26Å; V96-L118 HydrophobicContact CB-CD1 4.19Å; V98-L118 HydrophobicContact CG2-CD1 4Å; L118-Y120 HydrophobicContact CD2-CD1 4.41Å; L118-Y120 HydrophobicContact CG-CD1 4.41Å
119	E	97.1	Very high	87.1	Confident	48 Å²	48	52.6 Å²	52.6	22%	0.224	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.7	164	-63	-165.8	143.3	0	0	108.4	K50 V52 V96 N97	K50-E119 HydrophobicContact CB-CG 4.47Å; K50-E119 HydrophobicContact CD-CG 4.43Å; K50-E119 IonicContact NZ-OE1 3.63Å; K50-E119 PolarHBondContact NZ-OE1 2.84Å; K50-E119 WeakPolarHBondContact O-CA 3.38Å; V52-E119 HydrophobicContact CG1-CB 3.89Å; V52-E119 HydrophobicContact CG1-CG 4.04Å; V52-E119 HydrophobicContact CG2-CB 4.22Å; V96-E119 CarbonylContact C-O 3.39Å; V96-E119 WeakPolarHBondContact CA-O 3.24Å; N97-E119 PolarHBondContact N-O 2.85Å; N97-E119 PolarHBondContact O-N 3.32Å
120	Y	97.4	Very high	85.2	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.5	-176.7	66.9	-85.6	0	0	0	112.1	L49 K50 C51 V52 P64 F93 A95 L118	L49-Y120 HydrophobicContact CB-CE1 4.14Å; K50-Y120 VanDerWaalsContact C-CE1 3.46Å; K50-Y120 WeakPolarHBondContact O-CD1 3.38Å; K50-Y120 PolarHBondContact O-N 2.97Å; C51-Y120 CarbonylContact C-O 3.57Å; C51-Y120 VanDerWaalsContact CA-O 3.28Å; C51-Y120 WeakPolarHBondContact CA-O 3.33Å; C51-Y120 HydrophobicContact CB-CD2 4.48Å; C51-Y120 HydrophobicContact CB-CE1 4.33Å; C51-Y120 HydrophobicContact CB-CE2 3.81Å; V52-Y120 PolarHBondContact N-O 3.46Å; P64-Y120 HydrophobicContact CG-CE2 4.49Å; F93-Y120 HydrophobicContact CD1-CD2 4.02Å; F93-Y120 HydrophobicContact CD1-CG 4.38Å; F93-Y120 AromaticContact CE1-CD2 3.78Å; F93-Y120 HydrophobicContact CE1-CD2 3.78Å; F93-Y120 HydrophobicContact CE1-CE2 4.37Å; F93-Y120 HydrophobicContact CE1-CG 4.05Å; A95-Y120 CarbonylContact O-C 3.56Å; A95-Y120 WeakPolarHBondContact O-CA 3.47Å; L118-Y120 HydrophobicContact CD2-CD1 4.41Å; L118-Y120 HydrophobicContact CG-CD1 4.41Å
121	E	96.2	Very high	83.1	Confident	66 Å²	66	58 Å²	58	31%	0.308	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147	167.2	-61.5	-170.6	156.8	0	0	110.6	V52 G53 G94 A95	V52-E121 HydrophobicContact CG2-CG 4.24Å; G53-E121 VanDerWaalsContact O-CA 3.27Å; G53-E121 WeakPolarHBondContact O-CA 3.36Å; G94-E121 PolarHBondContact N-O 3.34Å; A95-E121 HydrophobicContact CB-CG 4.21Å; A95-E121 PolarHBondContact O-N 3.25Å
122	L	95.2	Very high	81	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122	176.4	-165.4	69.2	0	0	0	109.3	G53 G54 S55 G56 Y63 L87 V91	G53-L122 PolarHBondContact O-N 3.36Å; G54-L122 CarbonylContact C-O 3.52Å; G54-L122 VanDerWaalsContact CA-O 3.24Å; G54-L122 WeakPolarHBondContact CA-O 3.27Å; S55-L122 PolarHBondContact N-O 2.86Å; S55-L122 VanDerWaalsContact N-O 3.12Å; G56-L122 WeakPolarHBondContact CA-O 3.47Å; G56-L122 PolarHBondContact N-O 2.89Å; Y63-L122 HydrophobicContact CD1-CD2 4.23Å; L87-L122 HydrophobicContact CD1-CD1 3.88Å; L87-L122 HydrophobicContact CD2-CD1 4.46Å; V91-L122 HydrophobicContact CB-CD1 3.85Å; V91-L122 HydrophobicContact CB-CD2 4.11Å; V91-L122 HydrophobicContact CB-CG 3.85Å; V91-L122 HydrophobicContact CG1-CD2 4.02Å; V91-L122 HydrophobicContact CG1-CG 4.11Å; V91-L122 HydrophobicContact CG2-CD1 3.95Å; V91-L122 HydrophobicContact CG2-CD2 4.24Å; V91-L122 HydrophobicContact CG2-CG 4.31Å
123	N	94	Very high	78.9	Confident	56 Å²	56	71.9 Å²	71.9	30%	0.299	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.7	-179.4	-72.5	-32.8	0	0	0	110.6	G54 V91 S92 G94 R125	G54-N123 WeakPolarHBondContact CA-OD1 3.2Å; V91-N123 CarbonylContact C-O 3.14Å; V91-N123 WeakPolarHBondContact CA-O 3.46Å; S92-N123 PolarHBondContact N-O 2.75Å; S92-N123 PolarHBondContact O-N 2.72Å; G94-N123 WeakPolarHBondContact CA-ND2 3.28Å; N123-R125 PolarHBondContact O-N 2.96Å
124	V	89.7	Confident	77	Confident	33 Å²	33	71.3 Å²	71.3	20%	0.2	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.1	172.8	-177.6	0	0	0	0	109.1	S55 S90 V91 E130	S55-V124 PolarHBondContact OG-N 3.23Å; S90-V124 CarbonylContact O-C 3.48Å; S90-V124 WeakPolarHBondContact O-CA 3.48Å; V91-V124 HydrophobicContact CG1-CG2 4.42Å; V124-E130 HydrophobicContact CG1-CG 4.14Å
125	R	85.9	Confident	75	Confident	119 Å²	119	77.7 Å²	77.7	45%	0.449	37%	0.366	S	S	.	.			trans	-72.4	128.7	169.9	-57.6	179	86	132.6	5	106.8	K89 S90 V91 N123 S127 H324	K89-R125 WeakPolarHBondContact O-CD 3.27Å; S90-R125 PolarHBondContact O-N 3.4Å; V91-R125 WeakPolarHBondContact O-CD 3.08Å; N123-R125 PolarHBondContact O-N 2.96Å; R125-S127 PolarHBondContact O-N 2.95Å; R125-H324 PolarHBondContact NH1-CD2 2.95Å; R125-H324 PolarHBondContact NH1-NE2 2.98Å
126	S	65.6	Low	73.2	Confident	123 Å²	123	81.2 Å²	81.2	86%	0.86	39%	0.388	S	S	*	.			trans	-65	23.9	-170.7	54.1	0	0	0	0	116.3	T128	S126-T128 VanDerWaalsContact C-N 3.34Å; S126-T128 PolarHBondContact O-N 3.34Å
127	S	56.6	Low	71.3	Confident	63 Å²	63	86.4 Å²	86.4	44%	0.441	41%	0.409	S	S	.	.	S	Bend	trans	-80.7	70.2	-177.9	59.9	0	0	0	0	112.6	R125 R129	R125-S127 PolarHBondContact O-N 2.95Å; S127-R129 PolarHBondContact O-N 3.44Å
128	T	52.7	Low	69.4	Low	119 Å²	119	91.5 Å²	91.5	73%	0.73	43%	0.433	S	S	*	.	S	Bend	trans	55.3	3.4	152.6	-47.5	0	0	0	0	117.7	S126	S126-T128 VanDerWaalsContact C-N 3.34Å; S126-T128 PolarHBondContact O-N 3.34Å
129	R	52.7	Low	67.3	Low	95 Å²	95	98.9 Å²	98.9	36%	0.358	47%	0.465	S	S	.	.			trans	-96	-19.1	-176.2	-90.6	-171.2	175.2	-172.4	-0.3	113.7	S127 K131 R132 Y133	S127-R129 PolarHBondContact O-N 3.44Å; R129-K131 PolarHBondContact O-N 2.87Å; R129-R132 PolarHBondContact O-N 2.96Å; R129-Y133 PolarHBondContact O-N 2.82Å
130	E	53.6	Low	65.4	Low	124 Å²	124	101.8 Å²	101.8	58%	0.579	48%	0.481	S	S	*	.	H	α-helix	trans	-55.6	-35.1	169.9	-78	-171.1	154	0	0	111.5	V124 R132	V124-E130 HydrophobicContact CG1-CG 4.14Å; E130-R132 VanDerWaalsContact C-N 3.28Å; E130-R132 PolarHBondContact O-N 2.97Å
131	K	49.2	Very low	63.3	Low	160 Å²	160	109 Å²	109	70%	0.696	51%	0.509	S	S	*	.	H	α-helix	trans	-73.3	-13.9	177.8	-65.8	-172.7	-179.6	179.8	0	114.3	R129 R135	R129-K131 PolarHBondContact O-N 2.87Å; K131-R135 WeakPolarHBondContact O-CD 3.44Å; K131-R135 VanDerWaalsContact O-CG 3.28Å; K131-R135 WeakPolarHBondContact O-CG 3.44Å
132	R	51.6	Low	61.4	Low	173 Å²	173	108.8 Å²	108.8	65%	0.653	51%	0.512	S	S	*	.	H	α-helix	trans	-102.2	-29.6	-176.2	-147.3	179.6	-75.1	-171	-1.8	112.5	R129 E130 R135 T136	R129-R132 PolarHBondContact O-N 2.96Å; E130-R132 VanDerWaalsContact C-N 3.28Å; E130-R132 PolarHBondContact O-N 2.97Å; R132-R135 PolarHBondContact O-N 2.86Å; R132-T136 PolarHBondContact O-N 2.73Å; R132-T136 VanDerWaalsContact O-N 3.15Å; R132-T136 PolarHBondContact O-OG1 3.31Å
133	Y	49.4	Very low	59.4	Low	124 Å²	124	114.7 Å²	114.7	49%	0.486	54%	0.54	S	S	.	.	H	α-helix	trans	-75.5	-41.6	176.2	-147.6	-96.5	0	0	0	111.9	R129 R135 T136 F137	R129-Y133 PolarHBondContact O-N 2.82Å; Y133-R135 VanDerWaalsContact C-N 3.27Å; Y133-R135 PolarHBondContact O-N 2.58Å; Y133-T136 PolarHBondContact O-N 3.43Å; Y133-F137 PolarHBondContact O-N 2.59Å
134	H	51.7	Low	57.5	Low	137 Å²	137	114.9 Å²	114.9	63%	0.634	55%	0.549	S	S	*	.	H	α-helix	trans	-58.2	-38.9	169.2	-87.3	-74	0	0	0	112.1	T136 E138	H134-T136 VanDerWaalsContact C-N 3.31Å; H134-T136 PolarHBondContact O-N 3.11Å; H134-E138 WeakPolarHBondContact O-CB 3.46Å; H134-E138 WeakPolarHBondContact O-CG 3.5Å; H134-E138 PolarHBondContact O-N 3.38Å
135	R	52.2	Low	55.9	Low	175 Å²	175	119.7 Å²	119.7	66%	0.66	57%	0.569	S	S	*	*	H	α-helix	trans	-67.9	-26.7	175.7	-78.9	-179	-175.8	-178.8	1.8	114.2	K131 R132 Y133 K139	K131-R135 WeakPolarHBondContact O-CD 3.44Å; K131-R135 VanDerWaalsContact O-CG 3.28Å; K131-R135 WeakPolarHBondContact O-CG 3.44Å; R132-R135 PolarHBondContact O-N 2.86Å; Y133-R135 VanDerWaalsContact C-N 3.27Å; Y133-R135 PolarHBondContact O-N 2.58Å; R135-K139 WeakPolarHBondContact O-CB 3.32Å; R135-K139 WeakPolarHBondContact O-CG 3.47Å; R135-K139 PolarHBondContact O-N 2.9Å
136	T	56.6	Low	54.6	Low	74 Å²	74	119.9 Å²	119.9	45%	0.454	58%	0.579	S	S	.	*	H	α-helix	trans	-85.5	-38.7	-178.4	-50.7	0	0	0	0	110.5	R132 Y133 H134 K139 I140	R132-T136 PolarHBondContact O-N 2.73Å; R132-T136 VanDerWaalsContact O-N 3.15Å; R132-T136 PolarHBondContact O-OG1 3.31Å; Y133-T136 PolarHBondContact O-N 3.43Å; H134-T136 VanDerWaalsContact C-N 3.31Å; H134-T136 PolarHBondContact O-N 3.11Å; T136-K139 PolarHBondContact O-N 3.21Å; T136-I140 WeakPolarHBondContact O-CG1 3.41Å; T136-I140 PolarHBondContact O-N 2.87Å
137	F	56.3	Low	54.4	Low	120 Å²	120	117.8 Å²	117.8	53%	0.526	56%	0.558	S	S	.	*	H	α-helix	trans	-70.9	-39.3	173.3	-152.9	-94.3	0	0	0	111.9	Y133 K139 I140 Y141	Y133-F137 PolarHBondContact O-N 2.59Å; F137-K139 VanDerWaalsContact C-N 3.28Å; F137-K139 PolarHBondContact O-N 3.39Å; F137-I140 PolarHBondContact O-N 2.98Å; F137-Y141 HydrophobicContact CD1-CD2 4.18Å; F137-Y141 AromaticContact CE1-CD2 3.67Å; F137-Y141 HydrophobicContact CE1-CD2 3.67Å; F137-Y141 AromaticContact CE1-CE2 3.92Å; F137-Y141 HydrophobicContact CE1-CE2 3.92Å; F137-Y141 HydrophobicContact CZ-CD2 4.38Å; F137-Y141 HydrophobicContact CZ-CE2 4.44Å; F137-Y141 WeakPolarHBondContact O-CB 3.35Å; F137-Y141 PolarHBondContact O-N 3.03Å
138	E	55.4	Low	54.9	Low	112 Å²	112	117.2 Å²	117.2	52%	0.523	56%	0.555	S	S	.	*	H	α-helix	trans	-59.3	-37.4	169.2	-76.6	-103.3	147.9	0	0	111.5	H134 T142	H134-E138 WeakPolarHBondContact O-CB 3.46Å; H134-E138 WeakPolarHBondContact O-CG 3.5Å; H134-E138 PolarHBondContact O-N 3.38Å; E138-T142 VanDerWaalsContact O-CB 3.25Å; E138-T142 WeakPolarHBondContact O-CB 3.29Å; E138-T142 WeakPolarHBondContact O-CG2 3.44Å; E138-T142 PolarHBondContact O-N 2.83Å; E138-T142 PolarHBondContact O-OG1 2.87Å
139	K	53.4	Low	55.8	Low	154 Å²	154	113 Å²	113	67%	0.67	53%	0.534	S	S	*	.	H	α-helix	trans	-68.4	-36	176.4	-84.9	-179.9	179.1	-167.5	0	113.3	R135 T136 F137 T142 H143	R135-K139 WeakPolarHBondContact O-CB 3.32Å; R135-K139 WeakPolarHBondContact O-CG 3.47Å; R135-K139 PolarHBondContact O-N 2.9Å; T136-K139 PolarHBondContact O-N 3.21Å; F137-K139 VanDerWaalsContact C-N 3.28Å; F137-K139 PolarHBondContact O-N 3.39Å; K139-T142 WeakPolarHBondContact CA-OG1 3.26Å; K139-T142 PolarHBondContact O-OG1 2.64Å; K139-H143 WeakPolarHBondContact O-CB 3.35Å; K139-H143 PolarHBondContact O-N 3.09Å; K139-H143 VanDerWaalsContact O-N 3.08Å
140	I	57.1	Low	57.1	Low	109 Å²	109	115.7 Å²	115.7	56%	0.559	55%	0.545	S	S	*	.	H	α-helix	trans	-73.1	-40.1	176.6	-66	166.2	0	0	0	110.2	T136 F137 H143 A144	T136-I140 WeakPolarHBondContact O-CG1 3.41Å; T136-I140 PolarHBondContact O-N 2.87Å; F137-I140 PolarHBondContact O-N 2.98Å; I140-H143 PolarHBondContact O-N 2.92Å; I140-A144 WeakPolarHBondContact O-CB 3.23Å; I140-A144 PolarHBondContact O-N 2.87Å
141	Y	54.7	Low	58.5	Low	152 Å²	152	116.6 Å²	116.6	60%	0.596	55%	0.548	S	S	*	.	H	α-helix	trans	-69.8	-39.8	176.3	-121.7	-93.8	0	0	0	112.7	F137 A144 Q145	F137-Y141 HydrophobicContact CD1-CD2 4.18Å; F137-Y141 AromaticContact CE1-CD2 3.67Å; F137-Y141 HydrophobicContact CE1-CD2 3.67Å; F137-Y141 AromaticContact CE1-CE2 3.92Å; F137-Y141 HydrophobicContact CE1-CE2 3.92Å; F137-Y141 HydrophobicContact CZ-CD2 4.38Å; F137-Y141 HydrophobicContact CZ-CE2 4.44Å; F137-Y141 WeakPolarHBondContact O-CB 3.35Å; F137-Y141 PolarHBondContact O-N 3.03Å; Y141-A144 PolarHBondContact O-N 2.79Å; Y141-Q145 WeakPolarHBondContact O-CB 3.12Å; Y141-Q145 PolarHBondContact O-N 2.83Å
142	T	56.3	Low	60.1	Low	62 Å²	62	114.1 Å²	114.1	38%	0.38	54%	0.541	S	S	.	.	H	α-helix	trans	-69	-32.1	176	50.6	0	0	0	0	112.2	E138 K139 N146	E138-T142 VanDerWaalsContact O-CB 3.25Å; E138-T142 WeakPolarHBondContact O-CB 3.29Å; E138-T142 WeakPolarHBondContact O-CG2 3.44Å; E138-T142 PolarHBondContact O-N 2.83Å; E138-T142 PolarHBondContact O-OG1 2.87Å; K139-T142 WeakPolarHBondContact CA-OG1 3.26Å; K139-T142 PolarHBondContact O-OG1 2.64Å; T142-N146 WeakPolarHBondContact O-CB 3.08Å; T142-N146 PolarHBondContact O-N 2.82Å; T142-N146 PolarHBondContact O-ND2 3.12Å; T142-N146 PolarHBondContact O-OD1 3.4Å
143	H	52.4	Low	61.8	Low	125 Å²	125	110.5 Å²	110.5	58%	0.579	53%	0.534	S	S	*	.	H	α-helix	trans	-73.7	-31.5	173.2	-157.7	-63.4	0	0	0	112.8	K139 I140 N147	K139-H143 WeakPolarHBondContact O-CB 3.35Å; K139-H143 PolarHBondContact O-N 3.09Å; K139-H143 VanDerWaalsContact O-N 3.08Å; I140-H143 PolarHBondContact O-N 2.92Å; H143-N147 PolarHBondContact O-N 2.83Å
144	A	55.3	Low	63.6	Low	60 Å²	60	107.6 Å²	107.6	50%	0.496	53%	0.526	S	S	.	.	H	α-helix	trans	-72.8	-35.8	171.8	0	0	0	0	0	112.2	I140 Y141 N147 S148	I140-A144 WeakPolarHBondContact O-CB 3.23Å; I140-A144 PolarHBondContact O-N 2.87Å; Y141-A144 PolarHBondContact O-N 2.79Å; A144-N147 PolarHBondContact O-N 2.91Å; A144-S148 PolarHBondContact O-N 2.93Å
145	Q	55.3	Low	65.4	Low	134 Å²	134	103 Å²	103	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-74.2	-31.8	178.5	-136.7	-169.6	-2.5	0	0	113.1	Y141 N147 S148 G149	Y141-Q145 WeakPolarHBondContact O-CB 3.12Å; Y141-Q145 PolarHBondContact O-N 2.83Å; Q145-N147 VanDerWaalsContact C-N 3.26Å; Q145-N147 PolarHBondContact O-N 3Å; Q145-S148 PolarHBondContact O-N 3.35Å; Q145-S148 PolarHBondContact O-OG 2.95Å; Q145-S148 VanDerWaalsContact O-OG 3.06Å; Q145-G149 PolarHBondContact O-N 2.94Å
146	N	58	Low	67.4	Low	123 Å²	123	99.7 Å²	99.7	66%	0.658	51%	0.51	S	S	*	.	H	α-helix	trans	-68.6	-27.6	173.4	-71	-9	0	0	0	112.1	T142	T142-N146 WeakPolarHBondContact O-CB 3.08Å; T142-N146 PolarHBondContact O-N 2.82Å; T142-N146 PolarHBondContact O-ND2 3.12Å; T142-N146 PolarHBondContact O-OD1 3.4Å
147	N	62.1	Low	69.2	Low	78 Å²	78	101.3 Å²	101.3	42%	0.417	52%	0.515	S	S	.	.	H	α-helix	trans	-81.5	-33.6	174	-76.4	1.3	0	0	0	112.5	H143 A144 Q145 G149 Y150 F151	H143-N147 PolarHBondContact O-N 2.83Å; A144-N147 PolarHBondContact O-N 2.91Å; Q145-N147 VanDerWaalsContact C-N 3.26Å; Q145-N147 PolarHBondContact O-N 3Å; N147-G149 VanDerWaalsContact C-N 3.31Å; N147-G149 PolarHBondContact O-N 3.13Å; N147-Y150 PolarHBondContact O-N 2.95Å; N147-F151 HydrophobicContact CB-CE2 4.22Å; N147-F151 WeakPolarHBondContact O-CD2 3.49Å; N147-F151 PolarHBondContact O-N 2.93Å
148	S	67.1	Low	70.9	Confident	52 Å²	52	99.1 Å²	99.1	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-34.5	-179.9	73.5	0	0	0	0	112.6	A144 Q145 Y150 F151 I152	A144-S148 PolarHBondContact O-N 2.93Å; Q145-S148 PolarHBondContact O-N 3.35Å; Q145-S148 PolarHBondContact O-OG 2.95Å; Q145-S148 VanDerWaalsContact O-OG 3.06Å; S148-Y150 VanDerWaalsContact C-N 3.32Å; S148-Y150 PolarHBondContact O-N 3.44Å; S148-F151 PolarHBondContact O-N 2.76Å; S148-I152 VanDerWaalsContact O-CG1 3.3Å; S148-I152 WeakPolarHBondContact O-CG1 3.38Å; S148-I152 PolarHBondContact O-N 2.92Å
149	G	72.5	Confident	72.6	Confident	29 Å²	29	98.2 Å²	98.2	30%	0.299	51%	0.509	S	S	.	.	H	α-helix	trans	-60	-41.5	172.8	0	0	0	0	0	112.5	Q145 N147 I152 I153	Q145-G149 PolarHBondContact O-N 2.94Å; N147-G149 VanDerWaalsContact C-N 3.31Å; N147-G149 PolarHBondContact O-N 3.13Å; G149-I152 PolarHBondContact O-N 3.04Å; G149-I153 WeakPolarHBondContact O-CB 3.1Å; G149-I153 WeakPolarHBondContact O-CD1 3.34Å; G149-I153 WeakPolarHBondContact O-CG1 3.09Å; G149-I153 PolarHBondContact O-N 2.81Å
150	Y	80	Confident	74.4	Confident	152 Å²	152	93.7 Å²	93.7	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-67	-41.6	178.9	-174.3	-112.1	0	0	0	112.3	N147 S148 I152 I153 I154	N147-Y150 PolarHBondContact O-N 2.95Å; S148-Y150 VanDerWaalsContact C-N 3.32Å; S148-Y150 PolarHBondContact O-N 3.44Å; Y150-I152 PolarHBondContact O-N 2.99Å; Y150-I153 PolarHBondContact O-N 2.92Å; Y150-I154 HydrophobicContact CD1-CD1 3.52Å; Y150-I154 HydrophobicContact CD1-CG1 4.4Å; Y150-I154 HydrophobicContact CD2-CD1 4.42Å; Y150-I154 HydrophobicContact CE1-CD1 3.07Å; Y150-I154 HydrophobicContact CE1-CG1 4.12Å; Y150-I154 HydrophobicContact CE2-CD1 4.05Å; Y150-I154 HydrophobicContact CE2-CG1 4.26Å; Y150-I154 HydrophobicContact CG-CD1 4.19Å; Y150-I154 WeakPolarHBondContact O-CG1 3.45Å; Y150-I154 PolarHBondContact O-N 2.83Å
151	F	81	Confident	76.1	Confident	143 Å²	143	91.1 Å²	91.1	63%	0.627	50%	0.496	S	S	*	.	H	α-helix	trans	-65.1	-38.1	175.6	-69.5	-65.5	0	0	0	112.8	N147 S148 G155	N147-F151 HydrophobicContact CB-CE2 4.22Å; N147-F151 WeakPolarHBondContact O-CD2 3.49Å; N147-F151 PolarHBondContact O-N 2.93Å; S148-F151 PolarHBondContact O-N 2.76Å; F151-G155 PolarHBondContact O-N 3.18Å
152	I	84.4	Confident	77.7	Confident	108 Å²	108	87.8 Å²	87.8	55%	0.554	49%	0.487	S	S	*	.	H	α-helix	trans	-66.2	-44.8	175.1	-66.5	168	0	0	0	110.3	S148 G149 Y150 G155 L156	S148-I152 VanDerWaalsContact O-CG1 3.3Å; S148-I152 WeakPolarHBondContact O-CG1 3.38Å; S148-I152 PolarHBondContact O-N 2.92Å; G149-I152 PolarHBondContact O-N 3.04Å; Y150-I152 PolarHBondContact O-N 2.99Å; I152-G155 PolarHBondContact O-N 3.49Å; I152-L156 HydrophobicContact CG2-CD1 4.2Å; I152-L156 HydrophobicContact CG2-CG 4.49Å; I152-L156 WeakPolarHBondContact O-CG 3.39Å; I152-L156 PolarHBondContact O-N 3.46Å
153	I	85.8	Confident	79.3	Confident	98 Å²	98	89.2 Å²	89.2	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-63.3	-45.5	178.3	-67.4	164	0	0	0	111	G149 Y150 G155 L156 I157	G149-I153 WeakPolarHBondContact O-CB 3.1Å; G149-I153 WeakPolarHBondContact O-CD1 3.34Å; G149-I153 WeakPolarHBondContact O-CG1 3.09Å; G149-I153 PolarHBondContact O-N 2.81Å; Y150-I153 PolarHBondContact O-N 2.92Å; I153-G155 VanDerWaalsContact C-N 3.32Å; I153-G155 PolarHBondContact O-N 2.75Å; I153-L156 PolarHBondContact O-N 3.41Å; I153-I157 HydrophobicContact CG2-CD1 3.8Å; I153-I157 HydrophobicContact CG2-CG1 4.45Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.3Å; I153-I157 PolarHBondContact O-N 2.65Å
154	I	88.9	Confident	80.9	Confident	63 Å²	63	90.9 Å²	90.9	32%	0.323	49%	0.493	S	S	.	.	H	α-helix	trans	-59.1	-46.3	173.4	-71.4	170.5	0	0	0	110.2	Y150 L156 I157 V158	Y150-I154 HydrophobicContact CD1-CD1 3.52Å; Y150-I154 HydrophobicContact CD1-CG1 4.4Å; Y150-I154 HydrophobicContact CD2-CD1 4.42Å; Y150-I154 HydrophobicContact CE1-CD1 3.07Å; Y150-I154 HydrophobicContact CE1-CG1 4.12Å; Y150-I154 HydrophobicContact CE2-CD1 4.05Å; Y150-I154 HydrophobicContact CE2-CG1 4.26Å; Y150-I154 HydrophobicContact CG-CD1 4.19Å; Y150-I154 WeakPolarHBondContact O-CG1 3.45Å; Y150-I154 PolarHBondContact O-N 2.83Å; I154-L156 VanDerWaalsContact C-N 3.29Å; I154-L156 PolarHBondContact O-N 2.87Å; I154-I157 PolarHBondContact O-N 3.4Å; I154-I157 VanDerWaalsContact O-N 3.16Å; I154-V158 HydrophobicContact CG2-CG2 3.99Å; I154-V158 WeakPolarHBondContact O-CB 3.43Å; I154-V158 VanDerWaalsContact O-CG2 3.31Å; I154-V158 WeakPolarHBondContact O-CG2 3.35Å; I154-V158 PolarHBondContact O-N 3.09Å
155	G	89.5	Confident	82.3	Confident	39 Å²	39	94.5 Å²	94.5	40%	0.402	50%	0.495	S	S	.	.	H	α-helix	trans	-57.2	-42.3	178.8	0	0	0	0	0	112.4	F151 I152 I153 L159	F151-G155 PolarHBondContact O-N 3.18Å; I152-G155 PolarHBondContact O-N 3.49Å; I153-G155 VanDerWaalsContact C-N 3.32Å; I153-G155 PolarHBondContact O-N 2.75Å; G155-L159 VanDerWaalsContact O-CB 3.26Å; G155-L159 WeakPolarHBondContact O-CB 2.81Å; G155-L159 PolarHBondContact O-N 3.3Å
156	L	93	Very high	83.6	Confident	106 Å²	106	95.3 Å²	95.3	56%	0.555	50%	0.497	S	S	*	.	H	α-helix	trans	-68.8	-38.6	175.9	-68.5	175.7	0	0	0	112.8	I152 I153 I154 L159 A160	I152-L156 HydrophobicContact CG2-CD1 4.2Å; I152-L156 HydrophobicContact CG2-CG 4.49Å; I152-L156 WeakPolarHBondContact O-CG 3.39Å; I152-L156 PolarHBondContact O-N 3.46Å; I153-L156 PolarHBondContact O-N 3.41Å; I154-L156 VanDerWaalsContact C-N 3.29Å; I154-L156 PolarHBondContact O-N 2.87Å; L156-L159 PolarHBondContact O-N 2.05Å; L156-A160 VanDerWaalsContact O-CB 3.29Å; L156-A160 WeakPolarHBondContact O-CB 3.43Å; L156-A160 PolarHBondContact O-N 2.05Å
157	I	93.9	Very high	84.5	Confident	108 Å²	108	94.2 Å²	94.2	55%	0.554	50%	0.498	S	S	*	.	H	α-helix	trans	-66.3	-43.7	175.8	-68.8	168.6	0	0	0	110.6	I153 I154 A160 A161	I153-I157 HydrophobicContact CG2-CD1 3.8Å; I153-I157 HydrophobicContact CG2-CG1 4.45Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.3Å; I153-I157 PolarHBondContact O-N 2.65Å; I154-I157 PolarHBondContact O-N 3.4Å; I154-I157 VanDerWaalsContact O-N 3.16Å; I157-A160 PolarHBondContact O-N 2.85Å; I157-A161 WeakPolarHBondContact O-CB 3.41Å; I157-A161 PolarHBondContact O-N 2.82Å
158	V	93.1	Very high	84.8	Confident	74 Å²	74	95.1 Å²	95.1	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-43.2	176.6	172.5	0	0	0	0	110.4	I154 A161 I162	I154-V158 HydrophobicContact CG2-CG2 3.99Å; I154-V158 WeakPolarHBondContact O-CB 3.43Å; I154-V158 VanDerWaalsContact O-CG2 3.31Å; I154-V158 WeakPolarHBondContact O-CG2 3.35Å; I154-V158 PolarHBondContact O-N 3.09Å; V158-A161 PolarHBondContact O-N 2.86Å; V158-I162 HydrophobicContact CG1-CD1 3.79Å; V158-I162 HydrophobicContact CG1-CG1 4.39Å; V158-I162 WeakPolarHBondContact O-CB 2.78Å; V158-I162 VanDerWaalsContact O-CG1 3.22Å; V158-I162 WeakPolarHBondContact O-CG1 3.43Å; V158-I162 PolarHBondContact O-N 2.82Å
159	L	91.3	Very high	84.7	Confident	94 Å²	94	100 Å²	100	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-59.7	-46.6	174	-174.6	81.8	0	0	0	111.4	G155 L156 A161 I162 L163	G155-L159 VanDerWaalsContact O-CB 3.26Å; G155-L159 WeakPolarHBondContact O-CB 2.81Å; G155-L159 PolarHBondContact O-N 3.3Å; L156-L159 PolarHBondContact O-N 2.05Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 3.17Å; L159-I162 PolarHBondContact O-N 2.83Å; L159-L163 HydrophobicContact CG-CD1 4.19Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.38Å; L159-L163 PolarHBondContact O-N 2.8Å
160	A	91.7	Very high	84.2	Confident	58 Å²	58	104.2 Å²	104.2	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-38.7	177.4	0	0	0	0	0	112	L156 I157 L163 W164	L156-A160 VanDerWaalsContact O-CB 3.29Å; L156-A160 WeakPolarHBondContact O-CB 3.43Å; L156-A160 PolarHBondContact O-N 2.05Å; I157-A160 PolarHBondContact O-N 2.85Å; A160-L163 PolarHBondContact O-N 2.79Å; A160-W164 VanDerWaalsContact O-CB 3.26Å; A160-W164 WeakPolarHBondContact O-CB 3.23Å; A160-W164 PolarHBondContact O-N 3.07Å
161	A	90.9	Very high	83	Confident	56 Å²	56	102.2 Å²	102.2	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-67.5	-39.3	175.7	0	0	0	0	0	112.3	I157 V158 L159 W164 Y165	I157-A161 WeakPolarHBondContact O-CB 3.41Å; I157-A161 PolarHBondContact O-N 2.82Å; V158-A161 PolarHBondContact O-N 2.86Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 3.17Å; A161-W164 PolarHBondContact O-N 3.46Å; A161-Y165 WeakPolarHBondContact O-CB 3.21Å; A161-Y165 PolarHBondContact O-N 2.63Å
162	I	88.3	Confident	81.6	Confident	82 Å²	82	104.1 Å²	104.1	42%	0.421	55%	0.546	S	S	.	.	H	α-helix	trans	-63.2	-51.8	173.5	-72	169.4	0	0	0	109.4	V158 L159 W164 Y165 F166	V158-I162 HydrophobicContact CG1-CD1 3.79Å; V158-I162 HydrophobicContact CG1-CG1 4.39Å; V158-I162 WeakPolarHBondContact O-CB 2.78Å; V158-I162 VanDerWaalsContact O-CG1 3.22Å; V158-I162 WeakPolarHBondContact O-CG1 3.43Å; V158-I162 PolarHBondContact O-N 2.82Å; L159-I162 PolarHBondContact O-N 2.83Å; I162-W164 VanDerWaalsContact C-N 3.3Å; I162-W164 PolarHBondContact O-N 3.07Å; I162-Y165 PolarHBondContact O-N 2.87Å; I162-Y165 VanDerWaalsContact O-N 3.15Å; I162-F166 HydrophobicContact CB-CD2 4.4Å; I162-F166 HydrophobicContact CG2-CD2 3.56Å; I162-F166 HydrophobicContact CG2-CE2 3.89Å; I162-F166 WeakPolarHBondContact O-CB 3.45Å; I162-F166 VanDerWaalsContact O-CD2 3.24Å; I162-F166 WeakPolarHBondContact O-CD2 3.42Å; I162-F166 PolarHBondContact O-N 2.66Å
163	L	90.1	Very high	79.9	Confident	92 Å²	92	105 Å²	105	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-60.5	-39	177.8	-68.5	173.4	0	0	0	111.8	L159 A160 C167	L159-L163 HydrophobicContact CG-CD1 4.19Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.38Å; L159-L163 PolarHBondContact O-N 2.8Å; A160-L163 PolarHBondContact O-N 2.79Å; L163-C167 WeakPolarHBondContact O-CA 3.24Å; L163-C167 WeakPolarHBondContact O-CB 3.39Å; L163-C167 PolarHBondContact O-N 2.85Å; L163-C167 PolarHBondContact O-SG 2.84Å; L163-C167 VanDerWaalsContact O-SG 3.41Å
164	W	87.7	Confident	78.4	Confident	159 Å²	159	105.3 Å²	105.3	60%	0.602	57%	0.569	S	S	*	*	H	α-helix	trans	-63.3	-47.8	173.3	-177.5	-69.6	0	0	0	111.8	A160 A161 I162 I168	A160-W164 VanDerWaalsContact O-CB 3.26Å; A160-W164 WeakPolarHBondContact O-CB 3.23Å; A160-W164 PolarHBondContact O-N 3.07Å; A161-W164 PolarHBondContact O-N 3.46Å; I162-W164 VanDerWaalsContact C-N 3.3Å; I162-W164 PolarHBondContact O-N 3.07Å; W164-I168 HydrophobicContact CD2-CD1 3.87Å; W164-I168 HydrophobicContact CE3-CD1 3.73Å; W164-I168 HydrophobicContact CG-CD1 4.25Å; W164-I168 HydrophobicContact CZ3-CD1 4.2Å; W164-I168 WeakPolarHBondContact O-CB 3.46Å; W164-I168 PolarHBondContact O-N 2.95Å
165	Y	83.7	Confident	76.3	Confident	137 Å²	137	109.5 Å²	109.5	54%	0.537	59%	0.592	S	S	.	*	H	α-helix	trans	-66.5	-40.9	-177	-172.9	-95.8	0	0	0	112	A161 I162	A161-Y165 WeakPolarHBondContact O-CB 3.21Å; A161-Y165 PolarHBondContact O-N 2.63Å; I162-Y165 PolarHBondContact O-N 2.87Å; I162-Y165 VanDerWaalsContact O-N 3.15Å
166	F	82.2	Confident	74.1	Confident	151 Å²	151	117.5 Å²	117.5	66%	0.662	61%	0.611	S	S	*	*	H	α-helix	trans	-87.6	-28.8	-177.9	-75	-75.9	0	0	0	114.1	I162	I162-F166 HydrophobicContact CB-CD2 4.4Å; I162-F166 HydrophobicContact CG2-CD2 3.56Å; I162-F166 HydrophobicContact CG2-CE2 3.89Å; I162-F166 WeakPolarHBondContact O-CB 3.45Å; I162-F166 VanDerWaalsContact O-CD2 3.24Å; I162-F166 WeakPolarHBondContact O-CD2 3.42Å; I162-F166 PolarHBondContact O-N 2.66Å
167	C	76.7	Confident	72.2	Confident	99 Å²	99	119.8 Å²	119.8	67%	0.669	62%	0.622	S	S	*	*	H	α-helix	trans	-102.6	-21.4	-176.8	-54.2	0	0	0	0	114.4	L163	L163-C167 WeakPolarHBondContact O-CA 3.24Å; L163-C167 WeakPolarHBondContact O-CB 3.39Å; L163-C167 PolarHBondContact O-N 2.85Å; L163-C167 PolarHBondContact O-SG 2.84Å; L163-C167 VanDerWaalsContact O-SG 3.41Å
168	I	69.6	Low	70.3	Confident	98 Å²	98	118.6 Å²	118.6	50%	0.503	62%	0.622	S	S	.	*	S	Bend	trans	-112.6	-9.5	-173.8	-51.8	176.3	0	0	0	112.8	W164 P170	W164-I168 HydrophobicContact CD2-CD1 3.87Å; W164-I168 HydrophobicContact CE3-CD1 3.73Å; W164-I168 HydrophobicContact CG-CD1 4.25Å; W164-I168 HydrophobicContact CZ3-CD1 4.2Å; W164-I168 WeakPolarHBondContact O-CB 3.46Å; W164-I168 PolarHBondContact O-N 2.95Å; I168-P170 WeakPolarHBondContact O-CD 3.44Å
169	R	65.3	Low	68	Low	153 Å²	153	121 Å²	121	58%	0.577	64%	0.639	S	S	*	*			trans	-90	103.1	171.2	-66.1	-153.8	176.9	-151.8	2.1	110.6	T171	R169-T171 VanDerWaalsContact C-N 3.26Å; R169-T171 PolarHBondContact O-N 3.48Å
170	P	60.6	Low	65.9	Low	119 Å²	119	123.3 Å²	123.3	77%	0.773	66%	0.657	S	S	*	*			trans	-68.7	92.6	161.7	30.3	-32.7	0	0	0	107.2	I168 F172	I168-P170 WeakPolarHBondContact O-CD 3.44Å; P170-F172 PolarHBondContact O-N 2.77Å
171	T	56.3	Low	63.5	Low	110 Å²	110	123.6 Å²	123.6	68%	0.675	67%	0.666	S	S	*	*			trans	-74.1	76.7	162.7	47.7	0	0	0	0	108.4	R169	R169-T171 VanDerWaalsContact C-N 3.26Å; R169-T171 PolarHBondContact O-N 3.48Å
172	F	49.8	Very low	61.1	Low	182 Å²	182	130.5 Å²	130.5	80%	0.798	69%	0.686	S	S	*	*			trans	-150.5	96.4	154.8	-75.1	-68.9	0	0	0	108.1	P170	P170-F172 PolarHBondContact O-N 2.77Å
173	P	50.4	Low	58.7	Low	128 Å²	128	134 Å²	134	83%	0.831	71%	0.705	S	S	*	*			trans	-86.6	111.7	161.2	30.2	-21.5	0	0	0	107.7
174	C	53.1	Low	56.4	Low	103 Å²	103	138.7 Å²	138.7	70%	0.696	72%	0.722	S	S	*	*			trans	-111.2	114.3	169.1	-65.1	0	0	0	0	109.1
175	D	45.6	Very low	54	Low	151 Å²	151	135.1 Å²	135.1	81%	0.807	72%	0.722	S	S	*	*			trans	61.7	105.1	149.4	-56.6	-33.7	0	0	0	121.1
176	Y	43.1	Very low	52	Low	208 Å²	208	136.7 Å²	136.7	82%	0.816	73%	0.734	S	S	*	*			trans	-81.3	114.4	158.7	-171.8	-93.9	0	0	0	109	P178	Y176-P178 HydrophobicContact CE1-CB 4.16Å
177	I	52.5	Low	49.8	Very low	153 Å²	153	134 Å²	134	79%	0.785	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-97.8	118.7	166.6	-58.8	174.4	0	0	0	107.5
178	P	54.6	Low	48.1	Very low	83 Å²	83	136.9 Å²	136.9	54%	0.539	74%	0.738	S	S	.	*	P	Polyproline II helix	trans	-76.9	151.4	177.9	29.6	-32.3	0	0	0	112.2	Y176	Y176-P178 HydrophobicContact CE1-CB 4.16Å
179	P	43.9	Very low	46.7	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-82.6	122	-174.3	32.2	-30.8	0	0	0	111.3
180	T	48.1	Very low	45.3	Very low	142 Å²	142	143.8 Å²	143.8	87%	0.871	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-90.5	118	166.4	49.8	0	0	0	0	109.2
181	G	40.6	Very low	45.1	Very low	65 Å²	65	143.9 Å²	143.9	67%	0.67	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-73.3	162.3	-179.2	0	0	0	0	0	114.3
182	F	40.7	Very low	45.5	Very low	201 Å²	201	144 Å²	144	88%	0.882	77%	0.768	S	S	*	*			trans	-157.8	105	147	-117.9	-84	0	0	0	107.4
183	D	37.2	Very low	45.9	Very low	154 Å²	154	140.8 Å²	140.8	82%	0.824	77%	0.765	S	S	*	*			trans	-63.5	136.3	158.9	-86.7	-49.4	0	0	0	108.5
184	F	41.9	Very low	46.6	Very low	191 Å²	191	140.2 Å²	140.2	84%	0.838	76%	0.762	S	S	*	*			trans	-158.5	138.1	137.1	-111.4	-78.3	0	0	0	110.9
185	S	37.9	Very low	46.8	Very low	85 Å²	85	140.6 Å²	140.6	59%	0.594	76%	0.761	S	S	*	*			trans	-79.2	174.9	-172.4	56.2	0	0	0	0	113.1
186	Q	41.5	Very low	47.2	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	76%	0.76	S	S	*	*			trans	82.4	103.1	152.6	-73.4	179.9	8.5	0	0	118.8
187	S	36.4	Very low	47.5	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	76%	0.756	S	S	*	*				65.7	142.4	117.4	74.1	0	0	0	0	120.8
188	Q	41.4	Very low	47.1	Very low	159 Å²	159	140.2 Å²	140.2	74%	0.743	76%	0.756	S	S	*	*			trans	91.9	113.3	148.8	-79.5	-178.8	-14.3	0	0	119.2
189	Q	39.5	Very low	46.9	Very low	171 Å²	171	142.8 Å²	142.8	80%	0.799	77%	0.77	S	S	*	*			trans	96.5	112.8	130.9	-70.1	169.5	-18.5	0	0	118.8
190	R	36	Very low	46.8	Very low	224 Å²	224	143.3 Å²	143.3	85%	0.845	77%	0.765	S	S	*	*			trans	-60.8	164.1	168	-91.5	-177.5	-175.4	-157	0.1	113.2
191	P	57	Low	46.7	Very low	122 Å²	122	146 Å²	146	79%	0.792	77%	0.765	S	S	*	*				-121.8	160.6	119.7	2.1	19	0	0	0	114.3
192	P	64.4	Low	46.7	Very low	112 Å²	112	149.5 Å²	149.5	73%	0.727	77%	0.768	S	S	*	*			trans	-97.8	174.1	-167.5	38.9	-34.8	0	0	0	115.9
193	P	59.1	Low	47	Very low	114 Å²	114	146.9 Å²	146.9	74%	0.74	76%	0.763	S	S	*	*			trans	-105.2	169.6	-168.9	40.5	-32.4	0	0	0	115.3
194	P	64.6	Low	47.6	Very low	116 Å²	116	147.5 Å²	147.5	75%	0.753	76%	0.761	S	S	*	*			trans	-101.6	164.9	168.1	38.4	-32.2	0	0	0	112.8
195	T	56.3	Low	47.7	Very low	112 Å²	112	146 Å²	146	69%	0.687	76%	0.756	S	S	*	*			cis	-164.9	134.7	-41.1	-36.6	0	0	0	0	106.5
196	Y	55	Low	48.2	Very low	199 Å²	199	149.7 Å²	149.7	78%	0.78	77%	0.769	S	S	*	*			trans	58.9	150.7	154.7	87	-98.4	0	0	0	121.1
197	D	49.7	Very low	48.1	Very low	137 Å²	137	148.9 Å²	148.9	73%	0.733	77%	0.771	S	S	*	*			cis	-159.1	126.1	-9.6	-88	-28.4	0	0	0	105
198	E	44	Very low	48.6	Very low	167 Å²	167	149.2 Å²	149.2	78%	0.78	77%	0.773	S	S	*	*				56.6	107.3	87.5	-67.6	-158.4	-178.2	0	0	119.1
199	T	49.5	Very low	48.8	Very low	138 Å²	138	146.9 Å²	146.9	85%	0.847	77%	0.77	S	S	*	*			trans	-164.6	98.9	137.7	51.9	0	0	0	0	107.6
200	I	42.3	Very low	49.1	Very low	136 Å²	136	148.2 Å²	148.2	70%	0.697	77%	0.767	S	S	*	*				44.3	109.5	86.8	-52.6	179.2	0	0	0	113.8
201	F	45.9	Very low	49.5	Very low	199 Å²	199	146.6 Å²	146.6	87%	0.873	76%	0.761	S	S	*	*				-170.4	120.8	120	-113.2	-84.2	0	0	0	110.6
202	N	41.3	Very low	48.7	Very low	137 Å²	137	151.3 Å²	151.3	73%	0.733	76%	0.763	S	S	*	*			trans	-76.7	150.5	163.2	-72	-43.7	0	0	0	109.1
203	D	46.6	Very low	47.8	Very low	146 Å²	146	155.4 Å²	155.4	78%	0.781	77%	0.773	S	S	*	*				155.3	141.5	114.8	-83.8	-32.2	0	0	0	113.2
204	H	49.9	Very low	47.5	Very low	168 Å²	168	154.4 Å²	154.4	78%	0.778	77%	0.774	S	S	*	*			trans	92.4	123.6	143.7	-106.1	54.5	0	0	0	122.2
205	E	42.8	Very low	46.8	Very low	159 Å²	159	154.9 Å²	154.9	74%	0.743	78%	0.777	S	S	*	*			trans	-50.6	148.1	162.7	-68.1	167	110	0	0	112.7
206	D	49.6	Very low	46.6	Very low	162 Å²	162	155.4 Å²	155.4	87%	0.866	79%	0.785	S	S	*	*				-175.4	145.3	116.2	-96.3	-26.8	0	0	0	114.2
207	N	38.9	Very low	46.7	Very low	154 Å²	154	150.4 Å²	150.4	82%	0.824	79%	0.785	S	S	*	*			trans	-80.7	128.8	-175.8	-179	15.9	0	0	0	111.6
208	S	47.7	Very low	47	Very low	102 Å²	102	149.8 Å²	149.8	71%	0.713	79%	0.788	S	S	*	*			trans	-165.4	117.1	148.4	58.2	0	0	0	0	114.7
209	T	44.9	Very low	47.7	Very low	109 Å²	109	147.4 Å²	147.4	67%	0.669	79%	0.787	S	S	*	*			trans	25	125.7	133	69.2	0	0	0	0	119.8
210	R	46.7	Very low	47.5	Very low	200 Å²	200	149 Å²	149	76%	0.755	79%	0.785	S	S	*	*				154.7	137.1	109.8	-90.5	178.5	-163.3	175	7.3	114.6
211	R	42.7	Very low	47.3	Very low	189 Å²	189	153.5 Å²	153.5	71%	0.713	80%	0.795	S	S	*	*			trans	69.8	112	137.1	-72.6	-177.7	-167	-170.4	5.2	117.8
212	R	41.1	Very low	46.8	Very low	222 Å²	222	147.8 Å²	147.8	84%	0.838	79%	0.792	S	S	*	*				84.1	118.9	74.1	-83.3	-163.8	-154.9	-178.9	5.6	112.5
213	Q	45.5	Very low	46.5	Very low	198 Å²	198	153.2 Å²	153.2	93%	0.925	80%	0.803	S	S	*	*				170.7	155.4	123.6	-97.6	162.8	-22.8	0	0	108.7
214	A	53.5	Low	46.3	Very low	92 Å²	92	153.2 Å²	153.2	76%	0.76	81%	0.808	S	S	*	*			cis	176.8	159	-45.1	0	0	0	0	0	105.6
215	P	49.2	Very low	45.8	Very low	127 Å²	127	149.4 Å²	149.4	83%	0.825	80%	0.801	S	S	*	*			trans	-108.7	176.5	-151.3	38.8	-29.3	0	0	0	115.2
216	S	52.4	Low	45.7	Very low	123 Å²	123	148 Å²	148	86%	0.86	80%	0.798	S	S	*	*			trans	-157.9	163	163.5	46.2	0	0	0	0	109.4
217	A	56.9	Low	45.2	Very low	93 Å²	93	146.9 Å²	146.9	77%	0.769	80%	0.797	S	S	*	*				-156	155.6	-63.3	0	0	0	0	0	105.9
218	P	56.7	Low	45.2	Very low	124 Å²	124	147.5 Å²	147.5	81%	0.805	80%	0.797	S	S	*	*			trans	-107.9	164.1	-176.7	39.2	-30.4	0	0	0	114.4
219	P	58.4	Low	44.5	Very low	117 Å²	117	146.2 Å²	146.2	76%	0.76	80%	0.8	S	S	*	*			trans	-132.8	169.3	144.3	22.4	-0.8	0	0	0	110.7
220	E	45	Very low	44.2	Very low	172 Å²	172	146.6 Å²	146.6	80%	0.804	80%	0.804	S	S	*	*			cis	-171.5	167.6	-4.7	171.6	168.6	-167	0	0	107.5
221	Y	37	Very low	43.6	Very low	230 Å²	230	141.5 Å²	141.5	90%	0.902	80%	0.799	S	S	*	*			trans	-92.3	160.4	-162.4	-56.4	-107.1	0	0	0	112.9
222	G	37.1	Very low	43.5	Very low	79 Å²	79	141 Å²	141	81%	0.814	80%	0.804	S	S	*	*			trans	172.8	98.7	163.1	0	0	0	0	0	116.2
223	W	33.4	Very low	43.1	Very low	252 Å²	252	135 Å²	135	96%	0.955	80%	0.797	S	S	*	*			trans	-92.5	137.1	165.6	-75.4	84.6	0	0	0	110.1
224	T	43.5	Very low	42.4	Very low	145 Å²	145	137.1 Å²	137.1	89%	0.89	80%	0.796	S	S	*	*			trans	-141.2	118.1	150.2	60.2	0	0	0	0	111.1
225	S	38.2	Very low	41.8	Very low	89 Å²	89	137.3 Å²	137.3	62%	0.622	79%	0.792	S	S	*	*			trans	-73.9	174.6	161.4	53.9	0	0	0	0	111.3
226	N	40.5	Very low	40.8	Very low	130 Å²	130	142.1 Å²	142.1	70%	0.695	79%	0.794	S	S	*	*			trans	111.4	106.8	156.4	-47.5	-22.7	0	0	0	114.4
227	V	40.4	Very low	39.9	Very low	138 Å²	138	146.1 Å²	146.1	84%	0.836	79%	0.79	S	S	*	*				177.3	82.9	121.8	174.3	0	0	0	0	104.9
228	M	38.9	Very low	38.6	Very low	167 Å²	167	148 Å²	148	82%	0.823	79%	0.787	S	S	*	*				44	117.6	96.9	-61.6	-160.4	-150.1	0	0	114.7
229	G	31.9	Very low	37.6	Very low	75 Å²	75	152.3 Å²	152.3	77%	0.773	79%	0.788	S	S	*	*			trans	-69.7	-151.8	166.8	0	0	0	0	0	112.6
230	P	40.2	Very low	36.5	Very low	117 Å²	117	153.6 Å²	153.6	76%	0.76	79%	0.788	S	S	*	*			cis	-134.4	-175.4	0	36	-14.8	0	0	0	113.6
231	S	33.2	Very low	35.9	Very low	92 Å²	92	154.4 Å²	154.4	64%	0.643	79%	0.789	S	S	*	*			trans	65.6	117.8	144.9	67.4	0	0	0	0	120.6
232	Q	40.8	Very low	35.9	Very low	178 Å²	178	148.4 Å²	148.4	83%	0.832	78%	0.781	S	S	*	*				159.3	101.6	128.9	-86.7	172.4	69.4	0	0	107.6
233	S	31.8	Very low	35.7	Very low	98 Å²	98	152.6 Å²	152.6	69%	0.685	78%	0.779	S	S	*	*				52.3	122.7	78.8	99.4	0	0	0	0	114
234	R	31.5	Very low	35.8	Very low	241 Å²	241	146.6 Å²	146.6	91%	0.909	77%	0.766	S	S	*	*			trans	93.1	108.2	165.3	-65.3	-179.6	172.7	-170.8	-1	118.4
235	S	40.1	Very low	35.4	Very low	96 Å²	96	147.4 Å²	147.4	67%	0.671	76%	0.759	S	S	*	*				170	111.3	108.9	43.2	0	0	0	0	107.8
236	R	29.9	Very low	35.3	Very low	228 Å²	228	148 Å²	148	86%	0.86	76%	0.763	S	S	*	*				52.8	99	75.8	-173.6	-175.3	-72.9	-175.4	-2.6	112.4
237	W	33.5	Very low	35.1	Very low	208 Å²	208	147.7 Å²	147.7	79%	0.788	77%	0.766	S	S	*	*			trans	-143.5	132.3	147	-69.1	106.1	0	0	0	111.3	W239	W237-W239 AromaticContact CE3-NE1 3.37Å; W237-W239 HydrophobicContact CZ3-CZ2 4.26Å; W237-W239 AromaticContact CZ3-NE1 3.86Å
238	N	28.8	Very low	35.1	Very low	132 Å²	132	146.1 Å²	146.1	71%	0.706	76%	0.761	S	S	*	*			trans	-124.8	121.8	-179.4	168.4	34.4	0	0	0	103.6
239	W	34.9	Very low	35.1	Very low	215 Å²	215	148.5 Å²	148.5	81%	0.814	76%	0.761	S	S	*	*			trans	-147.8	130.4	166.4	-72.3	108.4	0	0	0	112.9	W237	W237-W239 AromaticContact CE3-NE1 3.37Å; W237-W239 HydrophobicContact CZ3-CZ2 4.26Å; W237-W239 AromaticContact CZ3-NE1 3.86Å
240	N	36.3	Very low	35.5	Very low	143 Å²	143	151.7 Å²	151.7	77%	0.765	76%	0.76	S	S	*	*			trans	-64.1	147.1	169.8	-87.2	-24.8	0	0	0	113.2
241	K	31.7	Very low	35.6	Very low	189 Å²	189	151 Å²	151	82%	0.822	76%	0.758	S	S	*	*				60.5	148.3	125.5	-152.9	176.2	-172.9	-175.9	0	120.8
242	S	36.7	Very low	36.2	Very low	104 Å²	104	154.1 Å²	154.1	73%	0.727	77%	0.767	S	S	*	*			trans	89.1	105.7	169.6	64.2	0	0	0	0	114.9
243	E	32.9	Very low	36.4	Very low	168 Å²	168	148.9 Å²	148.9	79%	0.785	76%	0.762	S	S	*	*				82.9	99.7	66.7	-165.8	160.5	-153.8	0	0	110.4
244	D	36.3	Very low	36.9	Very low	125 Å²	125	152.8 Å²	152.8	67%	0.668	77%	0.774	S	S	*	*				162.4	124.6	126	-90.1	-40.6	0	0	0	113.2
245	Q	34.6	Very low	37.3	Very low	162 Å²	162	146 Å²	146	76%	0.757	77%	0.769	S	S	*	*			trans	62.5	128.1	132.1	-59.9	177.5	34.3	0	0	122.4
246	S	36.6	Very low	37.6	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	78%	0.78	S	S	*	*				117.1	102.4	129.4	75.8	0	0	0	0	118.2
247	T	36.1	Very low	38.2	Very low	124 Å²	124	139.6 Å²	139.6	76%	0.761	78%	0.778	S	S	*	*				71.2	126.5	123.5	57.3	0	0	0	0	122.6
248	S	40	Very low	38.6	Very low	105 Å²	105	135 Å²	135	73%	0.734	79%	0.785	S	S	*	*			trans	72.4	96.1	136.2	63.3	0	0	0	0	119.2
249	W	39.5	Very low	39.3	Very low	217 Å²	217	132.2 Å²	132.2	82%	0.822	79%	0.788	S	S	*	*			trans	-64.3	155.9	146.7	51	-70.8	0	0	0	110.3
250	L	40	Very low	39.7	Very low	142 Å²	142	131.7 Å²	131.7	74%	0.743	79%	0.791	S	S	*	*			trans	96.4	91.8	177.4	-52.5	174.1	0	0	0	116
251	S	43.3	Very low	40.1	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	79%	0.793	S	S	*	*				-175.3	144.7	129.5	41.2	0	0	0	0	110.9
252	N	44	Very low	40.8	Very low	158 Å²	158	127.1 Å²	127.1	85%	0.845	80%	0.795	S	S	*	*			trans	81.2	99.1	167.4	-42.7	-29.2	0	0	0	114.4
253	G	45.7	Very low	41.2	Very low	69 Å²	69	125.9 Å²	125.9	71%	0.711	80%	0.798	S	S	*	*			cis	89.7	92	25	0	0	0	0	0	111.3
254	L	42.4	Very low	41.9	Very low	180 Å²	180	128.2 Å²	128.2	94%	0.942	80%	0.801	S	S	*	*			trans	56	107.9	147.6	-59	169.2	0	0	0	120.3
255	A	40.5	Very low	42.8	Very low	97 Å²	97	131.8 Å²	131.8	80%	0.802	81%	0.812	S	S	*	*			trans	-171.3	99.7	141.8	0	0	0	0	0	108.6
256	A	46.6	Very low	43.5	Very low	110 Å²	110	132.4 Å²	132.4	91%	0.909	82%	0.816	S	S	*	*				64.4	110	95.7	0	0	0	0	0	114.5
257	G	41.7	Very low	43.5	Very low	80 Å²	80	131.6 Å²	131.6	83%	0.825	82%	0.824	S	S	*	*			trans	165.5	96	169.6	0	0	0	0	0	113.2
258	A	41.6	Very low	43.8	Very low	112 Å²	112	130.6 Å²	130.6	93%	0.926	82%	0.822	S	S	*	*			trans	-63.7	146.1	177.5	0	0	0	0	0	112.7
259	G	44	Very low	43.6	Very low	74 Å²	74	137.3 Å²	137.3	76%	0.763	83%	0.832	S	S	*	*			trans	165.1	98.1	167.2	0	0	0	0	0	116.1
260	F	42.7	Very low	43.6	Very low	203 Å²	203	131.1 Å²	131.1	89%	0.89	82%	0.821	S	S	*	*			trans	78.9	113	139.1	-144.9	-98.1	0	0	0	120.5
261	L	46.2	Very low	43.4	Very low	153 Å²	153	132.4 Å²	132.4	80%	0.801	83%	0.829	S	S	*	*			trans	-39	151.8	161.2	-61.8	160.6	0	0	0	116.1
262	G	46.2	Very low	43.2	Very low	84 Å²	84	132.5 Å²	132.5	87%	0.866	83%	0.825	S	S	*	*			trans	119.6	122.2	137.9	0	0	0	0	0	115.5
263	G	45.4	Very low	42.8	Very low	77 Å²	77	132.9 Å²	132.9	79%	0.794	83%	0.827	S	S	*	*			trans	140.4	69.1	160.7	0	0	0	0	0	114.7
264	Y	47.5	Very low	42.6	Very low	217 Å²	217	135 Å²	135	85%	0.851	83%	0.829	S	S	*	*			trans	-69.8	140.9	150.9	-56.9	-85.5	0	0	0	107.7
265	F	54.9	Low	42.1	Very low	201 Å²	201	130.5 Å²	130.5	88%	0.882	83%	0.826	S	S	*	*			trans	141.8	102.8	153.5	-76.2	-61.8	0	0	0	109.8
266	M	48.1	Very low	41.9	Very low	174 Å²	174	130.2 Å²	130.2	86%	0.857	82%	0.818	S	S	*	*				171.1	107.8	112.3	-98.4	167.5	121.2	0	0	108.5	S268	M266-S268 PolarHBondContact O-N 3.49Å
267	G	36.9	Very low	41.2	Very low	85 Å²	85	128.5 Å²	128.5	88%	0.876	81%	0.811	S	S	*	*			trans	-67.4	110.3	160	0	0	0	0	0	108.7
268	S	41.9	Very low	41	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	81%	0.809	S	S	*	*			trans	-105	96.7	159.6	-67.6	0	0	0	0	107.9	M266 S270	M266-S268 PolarHBondContact O-N 3.49Å; S268-S270 PolarHBondContact O-N 3.03Å
269	R	36	Very low	40.6	Very low	247 Å²	247	133.5 Å²	133.5	93%	0.932	80%	0.797	S	S	*	*			trans	-64.1	84.9	154	-96.4	179.3	169.4	175.2	-3.7	107
270	S	40.9	Very low	39.9	Very low	86 Å²	86	141.9 Å²	141.9	60%	0.601	81%	0.806	S	S	*	*			trans	-97.4	104.7	163.1	173.7	0	0	0	0	107.3	S268 T272	S268-S270 PolarHBondContact O-N 3.03Å; S270-T272 VanDerWaalsContact C-N 3.34Å; S270-T272 PolarHBondContact O-N 2.81Å; S270-T272 VanDerWaalsContact O-N 3.09Å; S270-T272 PolarHBondContact OG-OG1 3.32Å
271	N	34.3	Very low	39.7	Very low	170 Å²	170	138.5 Å²	138.5	91%	0.909	80%	0.802	S	S	*	*			trans	-74.8	89.3	172.4	-152.3	15.4	0	0	0	107.1
272	T	39.1	Very low	39.4	Very low	104 Å²	104	136.9 Å²	136.9	64%	0.638	80%	0.798	S	S	*	*			trans	-144.6	114.1	169.1	26	0	0	0	0	108.3	S270 P274	S270-T272 VanDerWaalsContact C-N 3.34Å; S270-T272 PolarHBondContact O-N 2.81Å; S270-T272 VanDerWaalsContact O-N 3.09Å; S270-T272 PolarHBondContact OG-OG1 3.32Å; T272-P274 VanDerWaalsContact O-CD 3.27Å; T272-P274 WeakPolarHBondContact O-CD 3.45Å
273	N	36.7	Very low	39.2	Very low	166 Å²	166	137.3 Å²	137.3	89%	0.888	79%	0.786	S	S	*	*			trans	-48.2	135.6	161.1	-95.8	-20.3	0	0	0	108.8
274	P	40.2	Very low	38.6	Very low	114 Å²	114	139.4 Å²	139.4	74%	0.74	78%	0.783	S	S	*	*				-130.1	139.1	124.8	19	0.3	0	0	0	110.2	T272 S276	T272-P274 VanDerWaalsContact O-CD 3.27Å; T272-P274 WeakPolarHBondContact O-CD 3.45Å; P274-S276 PolarHBondContact O-N 2.76Å
275	G	31.8	Very low	38	Very low	85 Å²	85	138.9 Å²	138.9	88%	0.876	78%	0.781	S	S	*	*			trans	-53.5	126	170.7	0	0	0	0	0	110.3
276	S	38.3	Very low	37.3	Very low	91 Å²	91	135.4 Å²	135.4	64%	0.636	78%	0.776	S	S	*	*			trans	-120.1	109.5	166.2	-174.8	0	0	0	0	106.7	P274 Y278	P274-S276 PolarHBondContact O-N 2.76Å; S276-Y278 WeakPolarHBondContact OG-CD2 3.34Å; S276-Y278 WeakPolarHBondContact OG-CE2 3.46Å
277	G	31	Very low	36.6	Very low	74 Å²	74	136.2 Å²	136.2	76%	0.763	78%	0.778	S	S	*	*			trans	-57.7	135.6	160.7	0	0	0	0	0	109
278	Y	36.5	Very low	36.6	Very low	200 Å²	200	141.4 Å²	141.4	78%	0.784	78%	0.779	S	S	*	*			trans	-142.5	105.4	162.8	-100.7	-83.4	0	0	0	108.2	S276	S276-Y278 WeakPolarHBondContact OG-CD2 3.34Å; S276-Y278 WeakPolarHBondContact OG-CE2 3.46Å
279	S	34.6	Very low	36.1	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	79%	0.788	S	S	*	*				39.4	112	129.5	-46.3	0	0	0	0	117.7	T281	S279-T281 PolarHBondContact O-N 2.82Å; S279-T281 VanDerWaalsContact O-N 3.16Å
280	R	29.3	Very low	36	Very low	251 Å²	251	139.4 Å²	139.4	95%	0.947	78%	0.782	S	S	*	*			trans	-40.2	117.5	158.6	-79.6	179.6	-173.8	176.1	2.1	110.3
281	T	38	Very low	35.5	Very low	132 Å²	132	144.1 Å²	144.1	81%	0.81	79%	0.792	S	S	*	*			trans	-125.5	102.9	156.3	26.8	0	0	0	0	106.9	S279	S279-T281 PolarHBondContact O-N 2.82Å; S279-T281 VanDerWaalsContact O-N 3.16Å
282	T	40	Very low	35.4	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.724	78%	0.776	S	S	*	*			trans	-67	125.7	165.2	42.8	0	0	0	0	108.3	V284	T282-V284 PolarHBondContact O-N 3.05Å
283	P	41.4	Very low	35.1	Very low	94 Å²	94	146.7 Å²	146.7	61%	0.61	79%	0.788	S	S	*	*			trans	-75.2	116.2	167.8	28.4	-27.8	0	0	0	108.6	Y285	P283-Y285 HydrophobicContact CG-CE2 4.27Å; P283-Y285 PolarHBondContact O-N 3.5Å
284	V	33.4	Very low	34.9	Very low	121 Å²	121	144.4 Å²	144.4	73%	0.733	78%	0.784	S	S	*	*			trans	-71.7	114.7	163.3	173.7	0	0	0	0	106.6	T282 T286	T282-V284 PolarHBondContact O-N 3.05Å; V284-T286 HydrophobicContact CG1-CG2 4.29Å
285	Y	35.3	Very low	34.7	Very low	206 Å²	206	142.9 Å²	142.9	81%	0.808	79%	0.789	S	S	*	*			trans	-81.5	114.1	168.7	-67.2	-83.5	0	0	0	107.8	P283	P283-Y285 HydrophobicContact CG-CE2 4.27Å; P283-Y285 PolarHBondContact O-N 3.5Å
286	T	39.1	Very low	34.9	Very low	127 Å²	127	145.2 Å²	145.2	78%	0.779	79%	0.787	S	S	*	*			trans	-105.4	129.2	162.8	34	0	0	0	0	107.5	V284	V284-T286 HydrophobicContact CG1-CG2 4.29Å
287	E	33.7	Very low	34.5	Very low	192 Å²	192	144.2 Å²	144.2	90%	0.897	79%	0.791	S	S	*	*			trans	-70.6	126.1	176.4	-64.3	174.4	148.4	0	0	109.4
288	E	36.8	Very low	34.7	Very low	194 Å²	194	149.7 Å²	149.7	91%	0.907	79%	0.794	S	S	*	*			trans	-142.2	121.9	151.8	-77.1	-163	150.1	0	0	110.2
289	E	31.4	Very low	34.5	Very low	193 Å²	193	145.6 Å²	145.6	90%	0.902	80%	0.795	S	S	*	*			trans	-70.8	143.9	171.7	-60.2	178.4	124.3	0	0	110.9
290	S	34.9	Very low	34.7	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	80%	0.796	S	S	*	*			trans	-168.6	98.4	147.8	24.9	0	0	0	0	112.8
291	F	29.8	Very low	34.8	Very low	186 Å²	186	139.8 Å²	139.8	82%	0.816	78%	0.782	S	S	*	*				29.1	115.7	120.5	-160	-106.2	0	0	0	119.7
292	V	31.9	Very low	34.9	Very low	96 Å²	96	141 Å²	141	58%	0.582	78%	0.778	S	S	*	*			trans	67.1	123.9	131.2	176.1	0	0	0	0	119.8
293	R	33	Very low	34.8	Very low	232 Å²	232	144.7 Å²	144.7	88%	0.875	78%	0.78	S	S	*	*				172.5	143	92	-152.2	162.7	-172.7	176.1	0.8	112.7
294	S	31.7	Very low	34.3	Very low	117 Å²	117	146.6 Å²	146.6	82%	0.818	79%	0.79	S	S	*	*			trans	-53.6	152.9	175.1	-44.5	0	0	0	0	116.1
295	G	36.5	Very low	34.5	Very low	82 Å²	82	146.4 Å²	146.4	85%	0.845	79%	0.794	S	S	*	*			trans	-154.1	99.6	162.9	0	0	0	0	0	110.7
296	T	36.2	Very low	34.4	Very low	135 Å²	135	141.8 Å²	141.8	83%	0.828	79%	0.792	S	S	*	*			trans	-75.9	145.4	177.5	43	0	0	0	0	112.9
297	G	30.2	Very low	34.5	Very low	69 Å²	69	142.9 Å²	142.9	71%	0.711	79%	0.793	S	S	*	*			trans	75.4	121.6	134.8	0	0	0	0	0	118.8
298	F	35.3	Very low	34.8	Very low	189 Å²	189	140.2 Å²	140.2	83%	0.829	79%	0.79	S	S	*	*			trans	-157.5	115.8	130.2	-127.4	-92.5	0	0	0	109.5	D300	F298-D300 HydrophobicContact CD1-CB 4.49Å
299	S	31.3	Very low	35	Very low	115 Å²	115	138.6 Å²	138.6	80%	0.804	78%	0.783	S	S	*	*			trans	-87.7	132.5	159	-58.9	0	0	0	0	106.5
300	D	38.9	Very low	35.4	Very low	129 Å²	129	139.1 Å²	139.1	69%	0.69	78%	0.782	S	S	*	*			trans	-148.8	131.1	156	-114.3	-23.9	0	0	0	111.6	F298	F298-D300 HydrophobicContact CD1-CB 4.49Å
301	S	33.1	Very low	35.5	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	78%	0.78	S	S	*	*			trans	-96.4	128.8	-179.1	47.1	0	0	0	0	109.4
302	H	38.4	Very low	36.3	Very low	156 Å²	156	138.3 Å²	138.3	72%	0.722	78%	0.777	S	S	*	*			trans	-153.2	125.9	160.3	-89.6	-54.8	0	0	0	114.4
303	Y	38.6	Very low	36.8	Very low	196 Å²	196	141 Å²	141	77%	0.769	79%	0.788	S	S	*	*			trans	62.5	105.5	145.8	-73	-77.7	0	0	0	121.9
304	T	31.1	Very low	37.4	Very low	134 Å²	134	140.2 Å²	140.2	82%	0.822	79%	0.785	S	S	*	*			trans	-9.1	118.4	135.7	10.5	0	0	0	0	116.2
305	S	36.9	Very low	38	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	79%	0.786	S	S	*	*			trans	-146.7	121.1	140.5	-150.7	0	0	0	0	109.5	N307	S305-N307 PolarHBondContact O-N 2.88Å
306	S	33.9	Very low	38.3	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	78%	0.781	S	S	*	*			trans	-56.9	114	177	36.2	0	0	0	0	111.3
307	N	40.5	Very low	38.7	Very low	150 Å²	150	150.4 Å²	150.4	80%	0.802	78%	0.781	S	S	*	*			trans	-145	113.3	156.9	-105.1	-19.7	0	0	0	109.6	S305 H309	S305-N307 PolarHBondContact O-N 2.88Å; N307-H309 PolarHBondContact O-N 3.48Å
308	T	39.7	Very low	39.7	Very low	136 Å²	136	152.9 Å²	152.9	83%	0.834	78%	0.782	S	S	*	*			trans	-65.8	91.2	171.8	47.2	0	0	0	0	109.3
309	H	41.1	Very low	40.8	Very low	160 Å²	160	148.2 Å²	148.2	74%	0.741	77%	0.771	S	S	*	*			trans	-143.2	112.3	167.3	-105.1	-89	0	0	0	109.2	N307 T311	N307-H309 PolarHBondContact O-N 3.48Å; H309-T311 PolarHBondContact O-N 3.37Å
310	F	40	Very low	42	Very low	205 Å²	205	147.2 Å²	147.2	90%	0.899	76%	0.764	S	S	*	*			trans	-18.3	96.1	169.6	-80.2	-96.6	0	0	0	114	H312	F310-H312 VanDerWaalsContact C-N 3.32Å; F310-H312 PolarHBondContact O-N 2.92Å
311	T	36.7	Very low	43.3	Very low	122 Å²	122	145.4 Å²	145.4	75%	0.748	76%	0.759	S	S	*	*			trans	-75.6	89.7	167.2	48.6	0	0	0	0	107.8	H309 D313	H309-T311 PolarHBondContact O-N 3.37Å; T311-D313 PolarHBondContact O-N 3.34Å
312	H	47.6	Very low	45.7	Very low	160 Å²	160	145.9 Å²	145.9	74%	0.741	75%	0.751	S	S	*	*			trans	-64.3	95.1	153.4	-104.4	-67.4	0	0	0	106.6	F310 R314	F310-H312 VanDerWaalsContact C-N 3.32Å; F310-H312 PolarHBondContact O-N 2.92Å; H312-R314 PolarHBondContact O-N 3.01Å
313	D	42.8	Very low	48.1	Very low	151 Å²	151	141.5 Å²	141.5	81%	0.807	74%	0.735	S	S	*	*			trans	-62	75.6	160.8	-85.3	-35.5	0	0	0	108.3	T311 R315	T311-D313 PolarHBondContact O-N 3.34Å; D313-R315 PolarHBondContact O-N 2.75Å
314	R	44.1	Very low	50.7	Low	217 Å²	217	134.1 Å²	134.1	82%	0.819	71%	0.707	S	S	*	*			trans	-72.1	79.6	159	-75.6	-171.3	-173.2	-174.2	3.8	105.7	H312 S316	H312-R314 PolarHBondContact O-N 3.01Å; R314-S316 PolarHBondContact O-N 3.46Å
315	R	46	Very low	53.7	Low	223 Å²	223	133.8 Å²	133.8	84%	0.842	70%	0.7	S	S	*	*			trans	-53	97	156.3	-162.9	175.3	-161.2	-171.9	4.7	105.3	D313 R317	D313-R315 PolarHBondContact O-N 2.75Å; R315-R317 PolarHBondContact O-N 2.64Å
316	S	41.8	Very low	56.5	Low	105 Å²	105	128.6 Å²	128.6	73%	0.734	66%	0.663	S	S	*	*			trans	-63.8	85.7	174.5	48.1	0	0	0	0	106.2	R314 T318	R314-S316 PolarHBondContact O-N 3.46Å; S316-T318 PolarHBondContact O-N 2.99Å
317	R	45.8	Very low	59.5	Low	219 Å²	219	125.6 Å²	125.6	83%	0.826	64%	0.642	S	S	*	*			trans	-59.6	94.2	158.8	-78.1	-175	179.9	-166.1	0.5	104.3	R315 P319	R315-R317 PolarHBondContact O-N 2.64Å; R317-P319 VanDerWaalsContact O-CD 3.24Å; R317-P319 WeakPolarHBondContact O-CD 3.2Å
318	T	50.4	Low	62.1	Low	122 Å²	122	118.7 Å²	118.7	75%	0.748	61%	0.606	S	S	*	*			trans	-47.7	115.2	157.2	29.5	0	0	0	0	105.2	S316 S320	S316-T318 PolarHBondContact O-N 2.99Å; T318-S320 PolarHBondContact O-N 2.84Å
319	P	57.3	Low	64.8	Low	90 Å²	90	118.7 Å²	118.7	58%	0.584	60%	0.595	S	S	*	*			trans	-56.4	118.8	177.8	-18.7	29.7	0	0	0	106	R317	R317-P319 VanDerWaalsContact O-CD 3.24Å; R317-P319 WeakPolarHBondContact O-CD 3.2Å
320	S	57.7	Low	67.3	Low	94 Å²	94	111.6 Å²	111.6	66%	0.657	57%	0.565	S	S	*	*			trans	-48.6	134.8	170.7	-55.2	0	0	0	0	107.2	T318 E322	T318-S320 PolarHBondContact O-N 2.84Å; S320-E322 PolarHBondContact O-N 3.01Å
321	P	65.2	Low	69.9	Low	92 Å²	92	103 Å²	103	60%	0.597	53%	0.534	S	S	*	.			trans	-56.6	108.9	178.4	22.4	-30.3	0	0	0	106.8	T323	P321-T323 PolarHBondContact O-N 2.86Å
322	E	83.5	Confident	72.6	Confident	105 Å²	105	97.7 Å²	97.7	49%	0.491	50%	0.502	S	S	.	.			trans	-72.3	120.9	179.8	-63.7	-173.8	157	0	0	106.5	K89 S320	K89-E322 WeakPolarHBondContact CB-O 3.39Å; K89-E322 HydrophobicContact CD-CB 3.51Å; K89-E322 VanDerWaalsContact CD-OE2 3.27Å; K89-E322 WeakPolarHBondContact CD-OE2 3.31Å; K89-E322 VanDerWaalsContact CE-CB 3.47Å; K89-E322 WeakPolarHBondContact CE-OE2 3.25Å; K89-E322 HydrophobicContact CG-CB 4.09Å; K89-E322 VanDerWaalsContact CG-O 3.28Å; K89-E322 WeakPolarHBondContact CG-O 3.33Å; K89-E322 PolarHBondContact N-O 3.04Å; K89-E322 VanDerWaalsContact NZ-CD 3.29Å; K89-E322 IonicContact NZ-OE1 2.92Å; K89-E322 IonicContact NZ-OE2 3.72Å; K89-E322 PolarHBondContact NZ-OE2 2.75Å; S320-E322 PolarHBondContact O-N 3.01Å
323	T	89.8	Confident	74.8	Confident	64 Å²	64	92.5 Å²	92.5	39%	0.393	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	162	179.6	55.5	0	0	0	0	111	E86 L87 P321	E86-T323 HydrophobicContact CG-CG2 4.01Å; E86-T323 WeakPolarHBondContact OE1-CB 3.33Å; E86-T323 PolarHBondContact OE1-OG1 3.36Å; L87-T323 CarbonylContact O-C 3.59Å; L87-T323 VanDerWaalsContact O-CA 3.28Å; L87-T323 WeakPolarHBondContact O-CA 3.34Å; P321-T323 PolarHBondContact O-N 2.86Å
324	H	93.2	Very high	77	Confident	41 Å²	41	87.8 Å²	87.8	19%	0.19	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	159.3	170.6	74.6	-50.8	0	0	0	109.2	L87 D88 K89 V91 R125	L87-H324 PolarHBondContact N-O 2.97Å; L87-H324 PolarHBondContact O-N 3.35Å; L87-H324 PolarHBondContact O-ND1 3.13Å; D88-H324 PolarHBondContact O-CE1 3.03Å; D88-H324 PolarHBondContact O-ND1 3.14Å; K89-H324 HydrophobicContact CG-CB 4.21Å; V91-H324 PolarHBondContact O-CE1 3.07Å; V91-H324 PolarHBondContact O-NE2 3.11Å; R125-H324 PolarHBondContact NH1-CD2 2.95Å; R125-H324 PolarHBondContact NH1-NE2 2.98Å
325	I	94.7	Very high	79.2	Confident	128 Å²	128	79.9 Å²	79.9	66%	0.656	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.4	173.7	-58.7	173.1	0	0	0	108	K84 A85	K84-I325 HydrophobicContact CB-CG2 4.39Å; A85-I325 WeakPolarHBondContact O-CA 3.47Å
326	S	95.4	Very high	80.8	Confident	7 Å²	7	72.7 Å²	72.7	5%	0.049	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.8	171.2	-171.4	0	0	0	0	109.4	K84 A85 F93	K84-S326 WeakPolarHBondContact CA-O 3.26Å; A85-S326 PolarHBondContact N-O 3.2Å; A85-S326 VanDerWaalsContact N-O 3.13Å; A85-S326 PolarHBondContact O-N 2.81Å; F93-S326 WeakPolarHBondContact CD2-O 3.27Å; F93-S326 PolarHBondContact N-OG 2.92Å
327	S	96.1	Very high	82.9	Confident	47 Å²	47	71 Å²	71	33%	0.329	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140	169.1	-67.4	0	0	0	0	110.1	E82 C83 K84	E82-S327 WeakPolarHBondContact OE1-CB 3.47Å; E82-S327 PolarHBondContact OE1-OG 2.76Å; C83-S327 CarbonylContact O-C 3.6Å; C83-S327 WeakPolarHBondContact O-CA 3.46Å; K84-S327 WeakPolarHBondContact CE-OG 3.28Å
328	G	95.6	Very high	84.9	Confident	4 Å²	4	62.8 Å²	62.8	4%	0.041	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.1	164.2	0	0	0	0	0	109.8	E82 C83 V96	E82-G328 CarbonylContact C-O 3.53Å; E82-G328 WeakPolarHBondContact CA-O 3.37Å; C83-G328 PolarHBondContact N-O 3.23Å; C83-G328 PolarHBondContact O-N 3.17Å; V96-G328 VanDerWaalsContact CG2-C 3.5Å
329	F	95.8	Very high	87	Confident	136 Å²	136	59.3 Å²	59.3	60%	0.596	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.1	178.7	-62.9	-90	0	0	0	110.1	W81 E82 V96	W81-F329 WeakPolarHBondContact O-CA 3.2Å; E82-F329 HydrophobicContact CB-CD1 3.8Å; E82-F329 HydrophobicContact CB-CE1 3.58Å; E82-F329 HydrophobicContact CB-CZ 4.39Å; E82-F329 HydrophobicContact CG-CD1 3.92Å; E82-F329 HydrophobicContact CG-CE1 3.41Å; E82-F329 VanDerWaalsContact CG-CE1 3.41Å; E82-F329 HydrophobicContact CG-CE2 4.46Å; E82-F329 HydrophobicContact CG-CZ 3.72Å; V96-F329 WeakPolarHBondContact CG2-O 3.25Å
330	G	94.5	Very high	88.8	Confident	11 Å²	11	57.4 Å²	57.4	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	166.4	-177.4	0	0	0	0	0	113.3	W81 V96	W81-G330 PolarHBondContact N-O 3.4Å; W81-G330 PolarHBondContact O-N 3.06Å; V96-G330 WeakPolarHBondContact O-CA 3.5Å
331	G	94	Very high	90.9	Very high	25 Å²	25	54.9 Å²	54.9	26%	0.258	30%	0.301	S	S	.	.			trans	-86.7	-165.8	177.6	0	0	0	0	0	113.1	N97 V98	N97-G331 PolarHBondContact OD1-O 3.05Å; V98-G331 PolarHBondContact N-O 3.09Å; V98-G331 VanDerWaalsContact N-O 3.17Å
332	T	94	Very high	92.7	Very high	10 Å²	10	52.3 Å²	52.3	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.7	172.8	-44	0	0	0	0	110.2	L24 V79 W81 V98 R334	L24-T332 HydrophobicContact CD1-CG2 4.1Å; L24-T332 HydrophobicContact CD2-CG2 3.75Å; V79-T332 PolarHBondContact O-OG1 3.18Å; W81-T332 VanDerWaalsContact CD1-OG1 3.29Å; W81-T332 PolarHBondContact NE1-OG1 3.32Å; V98-T332 CarbonylContact O-C 3.57Å; V98-T332 VanDerWaalsContact O-CA 3.24Å; V98-T332 WeakPolarHBondContact O-CA 3.23Å; V98-T332 WeakPolarHBondContact O-CG2 3.49Å; T332-R334 HydrophobicContact CG2-CG 4.37Å
333	S	92.8	Very high	93.5	Very high	51 Å²	51	48.2 Å²	48.2	36%	0.357	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	150.2	163	-174.3	0	0	0	0	109.1	N97 V98 N99 C100	N97-S333 PolarHBondContact OD1-N 2.78Å; V98-S333 PolarHBondContact O-N 2.87Å; N99-S333 CarbonylContact C-O 3.55Å; N99-S333 VanDerWaalsContact CA-O 3.29Å; N99-S333 WeakPolarHBondContact CA-O 3.33Å; N99-S333 PolarHBondContact OD1-O 2.84Å; C100-S333 PolarHBondContact N-O 2.57Å
334	R	90	Very high	93.8	Very high	53 Å²	53	46.9 Å²	46.9	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.3	-179.1	-66.1	168.3	-89.5	176.9	-3.3	110.3	D78 C100 P106 E107 D108 T332	D78-R334 IonicContact OD1-CZ 2.69Å; D78-R334 IonicContact OD1-NE 2.86Å; D78-R334 IonicContact OD1-NH2 3.91Å; D78-R334 PolarHBondContact OD1-NH2 2.99Å; C100-R334 WeakPolarHBondContact O-CA 3.36Å; P106-R334 CarbonylContact O-C 3.57Å; P106-R334 WeakPolarHBondContact O-CA 3.47Å; P106-R334 WeakPolarHBondContact O-CB 3.17Å; E107-R334 PolarHBondContact O-NH1 3.47Å; D108-R334 VanDerWaalsContact O-CD 3.25Å; D108-R334 WeakPolarHBondContact O-CD 3.27Å; D108-R334 PolarHBondContact O-NH1 3.2Å; T332-R334 HydrophobicContact CG2-CG 4.37Å
335	R	89.1	Confident	93.8	Very high	50 Å²	50	47.5 Å²	47.5	19%	0.189	26%	0.259	C	S	.	.			trans	-133.9	0	-170	66.9	176.3	173	133.3	1.2	114.3	K42 C100 E101 G102 P106 S115	K42-R335 PolarHBondContact NZ-OXT 2.85Å; C100-R335 PolarHBondContact O-N 2.84Å; E101-R335 HydrophobicContact CB-CG 4.37Å; G102-R335 PolarHBondContact N-O 3.29Å; G102-R335 VanDerWaalsContact N-O 3.07Å; P106-R335 PolarHBondContact O-N 3.29Å; S115-R335 PolarHBondContact O-NH2 2.86Å

Retrieved 335 of 335 residues in 435.8 ms (Link to these results)

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