A0A044U0Q7_ONCVO Loading...

S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine from methionine and ATP.

AlphaFold DB , UniProt , Accession A0A044U0Q7, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 424 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	32.9	Very low	36.4	Very low	243 Å²	243	159.1 Å²	159.1	100%	1.197	84%	0.843	S	S	*	*				0	133.8	0	-75	-167.6	-111	0	0	106.9
2	A	32.8	Very low	36.7	Very low	86 Å²	86	158.2 Å²	158.2	71%	0.711	84%	0.839	S	S	*	*			trans	76.5	105	-168.4	0	0	0	0	0	115.3
3	H	35.8	Very low	37.7	Very low	193 Å²	193	149.4 Å²	149.4	89%	0.894	80%	0.798	S	S	*	*				-161.8	101.2	124.6	-100.3	-64.1	0	0	0	108.4	G5	H3-G5 PolarHBondContact O-N 3.12Å
4	D	35.1	Very low	38.3	Very low	162 Å²	162	149.1 Å²	149.1	87%	0.866	79%	0.789	S	S	*	*			trans	-69.8	110.8	172.1	-59.7	-38.6	0	0	0	108.5
5	G	35.1	Very low	38.9	Very low	73 Å²	73	148.8 Å²	148.8	75%	0.753	79%	0.787	S	S	*	*			trans	-98.4	119.9	172.4	0	0	0	0	0	109.7	H3 G7	H3-G5 PolarHBondContact O-N 3.12Å; G5-G7 PolarHBondContact O-N 2.77Å
6	F	36.4	Very low	39.9	Very low	219 Å²	219	147.9 Å²	147.9	96%	0.961	78%	0.775	S	S	*	*			trans	-38.8	95.3	-179.9	-87.3	-103.3	0	0	0	114.1	M8	F6-M8 PolarHBondContact O-N 3.28Å
7	G	32	Very low	40.8	Very low	61 Å²	61	146.8 Å²	146.8	63%	0.629	76%	0.758	S	S	*	*			trans	-74.6	100.3	161	0	0	0	0	0	108.8	G5 H9	G5-G7 PolarHBondContact O-N 2.77Å; G7-H9 PolarHBondContact O-N 2.86Å
8	M	37.9	Very low	42	Very low	186 Å²	186	144.4 Å²	144.4	92%	0.916	76%	0.756	S	S	*	*			trans	-58.8	103.6	164.1	-125.6	173.4	74.9	0	0	107.2	F6 R10	F6-M8 PolarHBondContact O-N 3.28Å; M8-R10 PolarHBondContact O-N 2.95Å
9	H	37	Very low	44.2	Very low	172 Å²	172	142.8 Å²	142.8	80%	0.796	74%	0.744	S	S	*	*			trans	-52.1	111.9	-179.4	-80.1	-75.6	0	0	0	110.2	G7 N11	G7-H9 PolarHBondContact O-N 2.86Å; H9-N11 PolarHBondContact O-N 3.45Å
10	R	43.2	Very low	46.6	Very low	222 Å²	222	142.8 Å²	142.8	84%	0.838	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-60.1	-3.3	178.6	-75.1	-179.9	168.7	-179.2	-4.6	114.7	M8 S13	M8-R10 PolarHBondContact O-N 2.95Å; R10-S13 PolarHBondContact O-OG 2.91Å
11	N	42.4	Very low	49	Very low	133 Å²	133	138.3 Å²	138.3	71%	0.711	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-86	-6.5	-169.3	-73.6	2.1	0	0	0	115.6	H9	H9-N11 PolarHBondContact O-N 3.45Å
12	N	39.6	Very low	52.1	Low	148 Å²	148	131 Å²	131	79%	0.791	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-93.6	4.5	171.4	-77.9	-11	0	0	0	113.7	E14	N12-E14 VanDerWaalsContact C-N 3.34Å; N12-E14 PolarHBondContact O-N 3.45Å
13	S	49.5	Very low	55.3	Low	44 Å²	44	129.3 Å²	129.3	31%	0.308	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-81.1	-5.9	-179.3	72.7	0	0	0	0	114.7	R10 R17	R10-S13 PolarHBondContact O-OG 2.91Å; S13-R17 WeakPolarHBondContact O-CG 3.36Å; S13-R17 PolarHBondContact OG-NH2 3.36Å
14	E	45.9	Very low	58.3	Low	146 Å²	146	122.9 Å²	122.9	68%	0.682	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-71.1	-29.6	-179.5	-72	-168.5	160.3	0	0	113.5	N12 F16 R17	N12-E14 VanDerWaalsContact C-N 3.34Å; N12-E14 PolarHBondContact O-N 3.45Å; E14-F16 PolarHBondContact O-N 2.96Å; E14-R17 PolarHBondContact O-N 3.34Å
15	L	47.3	Very low	61.3	Low	144 Å²	144	115.3 Å²	115.3	75%	0.754	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-63.3	-27	-177.9	-126.3	90	0	0	0	113.3
16	F	55	Low	64.3	Low	134 Å²	134	116.4 Å²	116.4	59%	0.588	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-93.2	-10.7	-178.1	-70.1	-77.1	0	0	0	114.2	E14 S18	E14-F16 PolarHBondContact O-N 2.96Å; F16-S18 PolarHBondContact O-N 3.2Å
17	R	56.1	Low	67.3	Low	130 Å²	130	106 Å²	106	49%	0.491	53%	0.526	S	S	.	.	S	Bend	trans	-77.8	-16.8	-168.9	-75.8	177.8	-173.3	-170.2	1.6	115	S13 E14	S13-R17 WeakPolarHBondContact O-CG 3.36Å; S13-R17 PolarHBondContact OG-NH2 3.36Å; E14-R17 PolarHBondContact O-N 3.34Å
18	S	62.7	Low	70.5	Confident	104 Å²	104	103.4 Å²	103.4	73%	0.727	50%	0.497	S	S	*	.	S	Bend	trans	-124.1	-8.4	179	62	0	0	0	0	114.1	F16 R20	F16-S18 PolarHBondContact O-N 3.2Å; S18-R20 PolarHBondContact O-N 3.2Å
19	Q	83.1	Confident	73.3	Confident	113 Å²	113	94.6 Å²	94.6	53%	0.528	45%	0.454	S	S	.	.			trans	-73	124.2	-178.1	-169.2	173.6	9.1	0	0	110
20	R	92.7	Very high	76.2	Confident	142 Å²	142	86.8 Å²	86.8	54%	0.536	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	143.5	168.3	-58.8	-167.9	-174.7	178.7	-2.7	109.9	S18 E190 Y191	S18-R20 PolarHBondContact O-N 3.2Å; R20-E190 HydrophobicContact CB-CG 4.25Å; R20-E190 WeakPolarHBondContact CD-OE1 3.37Å; R20-E190 IonicContact CZ-OE1 2.77Å; R20-E190 IonicContact NE-OE1 3.71Å; R20-E190 IonicContact NH1-OE1 3.54Å; R20-E190 PolarHBondContact NH1-OE1 2.94Å; R20-Y191 CarbonylContact C-O 3.56Å; R20-Y191 WeakPolarHBondContact CA-O 3.24Å
21	F	96.6	Very high	78.8	Confident	49 Å²	49	76.2 Å²	76.2	22%	0.215	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.5	178.5	65.8	-84.7	0	0	0	110.6	F23 E190 Y191 F193 W277	F21-F23 HydrophobicContact CD2-CB 4.41Å; F21-F23 HydrophobicContact CE2-CB 4.17Å; F21-E190 CarbonylContact O-C 3.59Å; F21-E190 WeakPolarHBondContact O-CA 3.48Å; F21-Y191 HydrophobicContact CE2-CD2 4.19Å; F21-Y191 HydrophobicContact CE2-CG 4.26Å; F21-Y191 HydrophobicContact CZ-CG 4.13Å; F21-Y191 PolarHBondContact N-O 2.66Å; F21-Y191 PolarHBondContact O-N 3.19Å; F21-F193 HydrophobicContact CD1-CD2 4.28Å; F21-F193 HydrophobicContact CD1-CE2 4.05Å; F21-F193 HydrophobicContact CE1-CD1 4.22Å; F21-F193 AromaticContact CE1-CD2 3.62Å; F21-F193 HydrophobicContact CE1-CD2 3.62Å; F21-F193 AromaticContact CE1-CE1 3.98Å; F21-F193 HydrophobicContact CE1-CE1 3.98Å; F21-F193 AromaticContact CE1-CE2 3.36Å; F21-F193 HydrophobicContact CE1-CE2 3.36Å; F21-F193 HydrophobicContact CE1-CG 4.05Å; F21-F193 AromaticContact CE1-CZ 3.55Å; F21-F193 HydrophobicContact CE1-CZ 3.55Å; F21-F193 HydrophobicContact CE2-CZ 4.24Å; F21-F193 HydrophobicContact CZ-CD1 4.39Å; F21-F193 HydrophobicContact CZ-CD2 4.31Å; F21-F193 AromaticContact CZ-CE1 3.75Å; F21-F193 HydrophobicContact CZ-CE1 3.75Å; F21-F193 AromaticContact CZ-CE2 3.67Å; F21-F193 HydrophobicContact CZ-CE2 3.67Å; F21-F193 AromaticContact CZ-CZ 3.35Å; F21-F193 HydrophobicContact CZ-CZ 3.35Å; F21-W277 AromaticContact CE2-CH2 3.93Å; F21-W277 HydrophobicContact CE2-CH2 3.93Å; F21-W277 HydrophobicContact CZ-CH2 4.12Å
22	L	98.3	Very high	81.4	Confident	89 Å²	89	70.3 Å²	70.3	47%	0.466	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.6	176.1	-60.1	-176.6	0	0	0	109.3	T188 E190 H204	L22-T188 HydrophobicContact CB-CG2 3.89Å; L22-T188 HydrophobicContact CD1-CG2 4.39Å; L22-T188 HydrophobicContact CD2-CG2 4.42Å; L22-T188 HydrophobicContact CG-CG2 4.46Å; L22-E190 HydrophobicContact CD2-CB 3.71Å; L22-E190 HydrophobicContact CD2-CG 4.01Å; L22-H204 HydrophobicContact CD2-CB 3.88Å
23	F	98.6	Very high	84.2	Confident	52 Å²	52	63.3 Å²	63.3	23%	0.228	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.5	173	-164.7	-78.6	0	0	0	109.9	F21 T188 V189 Y191 W277	F21-F23 HydrophobicContact CD2-CB 4.41Å; F21-F23 HydrophobicContact CE2-CB 4.17Å; F23-T188 WeakPolarHBondContact O-CA 3.39Å; F23-V189 PolarHBondContact N-O 2.95Å; F23-V189 PolarHBondContact O-N 3.29Å; F23-Y191 HydrophobicContact CB-CD2 3.86Å; F23-Y191 HydrophobicContact CB-CE2 3.8Å; F23-W277 HydrophobicContact CB-CH2 4.21Å; F23-W277 HydrophobicContact CB-CZ2 3.65Å; F23-W277 AromaticContact CD1-CD1 3.98Å; F23-W277 HydrophobicContact CD1-CD2 4.26Å; F23-W277 AromaticContact CD1-CE2 3.38Å; F23-W277 HydrophobicContact CD1-CH2 4.5Å; F23-W277 AromaticContact CD1-CZ2 3.54Å; F23-W277 HydrophobicContact CD1-CZ2 3.54Å; F23-W277 AromaticContact CD1-NE1 3.22Å; F23-W277 AromaticContact CD2-CH2 3.98Å; F23-W277 HydrophobicContact CD2-CH2 3.98Å; F23-W277 AromaticContact CD2-CZ2 3.81Å; F23-W277 HydrophobicContact CD2-CZ2 3.81Å; F23-W277 HydrophobicContact CD2-CZ3 4.46Å; F23-W277 AromaticContact CE1-CD1 3.51Å; F23-W277 HydrophobicContact CE1-CD2 4Å; F23-W277 AromaticContact CE1-CE2 3.55Å; F23-W277 HydrophobicContact CE1-CG 4.01Å; F23-W277 HydrophobicContact CE1-CZ2 4.14Å; F23-W277 AromaticContact CE1-NE1 3.25Å; F23-W277 HydrophobicContact CE2-CD2 4.33Å; F23-W277 HydrophobicContact CE2-CZ2 4.36Å; F23-W277 AromaticContact CG-CE2 3.7Å; F23-W277 AromaticContact CG-CH2 3.97Å; F23-W277 HydrophobicContact CG-CH2 3.97Å; F23-W277 AromaticContact CG-CZ2 3.37Å; F23-W277 HydrophobicContact CG-CZ2 3.37Å; F23-W277 HydrophobicContact CZ-CD2 4.04Å; F23-W277 AromaticContact CZ-CE2 3.99Å; F23-W277 HydrophobicContact CZ-CG 4.16Å
24	T	98.8	Very high	86.6	Confident	58 Å²	58	61.8 Å²	61.8	36%	0.356	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134	-174.1	-56.8	0	0	0	0	110.7	Q186 V187 T188	T24-Q186 HydrophobicContact CG2-CG 3.29Å; T24-V187 WeakPolarHBondContact CA-O 3.45Å; T24-T188 WeakPolarHBondContact OG1-CB 3.23Å; T24-T188 WeakPolarHBondContact OG1-CG2 3.48Å; T24-T188 PolarHBondContact OG1-OG1 3.02Å
25	S	98.9	Very high	89.1	Confident	3 Å²	3	55 Å²	55	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.7	168.9	-54.9	0	0	0	0	109.4	S156 Q186 V187 G275	S25-S156 WeakPolarHBondContact OG-CB 3.31Å; S25-S156 PolarHBondContact OG-OG 3.47Å; S25-Q186 WeakPolarHBondContact O-CA 3.31Å; S25-V187 PolarHBondContact N-O 2.91Å; S25-V187 VanDerWaalsContact N-O 3.07Å; S25-V187 PolarHBondContact O-N 2.86Å; S25-G275 WeakPolarHBondContact CB-O 3.32Å; S25-G275 PolarHBondContact OG-O 3.16Å
26	E	98.8	Very high	91.5	Very high	96 Å²	96	48.1 Å²	48.1	45%	0.449	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	161.6	179	64.5	174.7	-154.2	0	0	112	L157 S185 Q186 V271	E26-L157 WeakPolarHBondContact O-CD1 3.3Å; E26-S185 CarbonylContact C-O 3.57Å; E26-S185 VanDerWaalsContact CA-O 3.23Å; E26-S185 WeakPolarHBondContact CA-O 3.35Å; E26-S185 WeakPolarHBondContact CB-O 3.4Å; E26-Q186 HydrophobicContact CB-CB 4.2Å; E26-Q186 HydrophobicContact CB-CG 4.16Å; E26-V271 HydrophobicContact CG-CG2 4.42Å
27	S	98.8	Very high	93.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.6	169.7	-165.3	0	0	0	0	110.6	H161 L164 S185	S27-H161 WeakPolarHBondContact CB-ND1 3.26Å; S27-H161 PolarHBondContact OG-CE1 2.98Å; S27-H161 PolarHBondContact OG-ND1 3.35Å; S27-L164 VanDerWaalsContact C-CD1 3.49Å; S27-L164 WeakPolarHBondContact O-CD1 3.39Å; S27-S185 PolarHBondContact N-O 3.4Å; S27-S185 PolarHBondContact O-N 2.83Å
28	V	98.6	Very high	95.6	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.03	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150	175.2	-59.2	0	0	0	0	108.4	H32 K35 L164 K184 K268	V28-H32 HydrophobicContact CB-CB 3.77Å; V28-H32 HydrophobicContact CG2-CB 3.92Å; V28-K35 HydrophobicContact CG2-CG 3.54Å; V28-L164 VanDerWaalsContact CA-CD1 3.43Å; V28-K184 HydrophobicContact CG1-CB 4.42Å; V28-K184 HydrophobicContact CG1-CG 4.04Å; V28-K268 HydrophobicContact CG1-CD 4.41Å; V28-K268 HydrophobicContact CG2-CD 3.71Å; V28-K268 HydrophobicContact CG2-CG 3.98Å
29	S	98.2	Very high	97.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	14%	0.143	C	C	.	.			trans	-82.2	170.4	-176.2	64.5	0	0	0	0	112.5	G31 H32 K35 H168 P181 S183	S29-G31 PolarHBondContact O-N 3.31Å; S29-G31 VanDerWaalsContact O-N 3.11Å; S29-G31 PolarHBondContact OG-N 2.99Å; S29-H32 WeakPolarHBondContact O-CB 3.35Å; S29-H32 PolarHBondContact O-N 2.79Å; S29-K35 VanDerWaalsContact O-CB 3.23Å; S29-K35 WeakPolarHBondContact O-CB 3.42Å; S29-H168 WeakPolarHBondContact CB-CE1 3.4Å; S29-H168 WeakPolarHBondContact CB-NE2 3.38Å; S29-H168 PolarHBondContact OG-NE2 3.28Å; S29-P181 PolarHBondContact OG-O 2.81Å; S29-S183 WeakPolarHBondContact CB-OG 3.28Å; S29-S183 PolarHBondContact N-O 2.84Å; S29-S183 PolarHBondContact OG-N 2.94Å; S29-S183 PolarHBondContact OG-O 3.28Å; S29-S183 PolarHBondContact OG-OG 3.4Å; S29-S183 VanDerWaalsContact OG-OG 3.09Å
30	E	96.9	Very high	98.1	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.037	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-21.7	169.3	58	-180	-166.4	0	0	114.8	M39 I93 H168 R171 R172 R379	E30-M39 HydrophobicContact CB-CE 4.34Å; E30-M39 HydrophobicContact CB-SD 3.37Å; E30-M39 WeakPolarHBondContact CB-SD 3.19Å; E30-I93 HydrophobicContact CB-CG1 4.33Å; E30-I93 HydrophobicContact CG-CG2 4.36Å; E30-I93 WeakPolarHBondContact O-CG2 3.46Å; E30-H168 WeakPolarHBondContact CG-ND1 3.31Å; E30-H168 IonicContact OE1-CE1 4Å; E30-H168 IonicContact OE1-ND1 3.1Å; E30-H168 PolarHBondContact OE1-ND1 3.28Å; E30-H168 VanDerWaalsContact OE1-ND1 3.12Å; E30-R171 IonicContact OE1-NH2 2.77Å; E30-R171 PolarHBondContact OE1-NH2 2.97Å; E30-R172 IonicContact OE1-CZ 2.89Å; E30-R172 IonicContact OE1-NE 3.3Å; E30-R172 PolarHBondContact OE1-NE 2.77Å; E30-R172 IonicContact OE1-NH2 2.92Å; E30-R172 PolarHBondContact OE1-NH2 2.92Å; E30-R172 IonicContact OE2-CZ 3.74Å; E30-R172 IonicContact OE2-NH2 3.8Å; E30-R172 PolarHBondContact OE2-NH2 3.15Å; E30-R379 HydrophobicContact CB-CG 4.49Å; E30-R379 IonicContact OE2-CZ 3.27Å; E30-R379 IonicContact OE2-NE 3.22Å; E30-R379 PolarHBondContact OE2-NE 3.21Å; E30-R379 IonicContact OE2-NH2 2.83Å
31	G	97.4	Very high	98.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.7	177	0	0	0	0	0	114.2	S29 F95 P181	S29-G31 PolarHBondContact O-N 3.31Å; S29-G31 VanDerWaalsContact O-N 3.11Å; S29-G31 PolarHBondContact OG-N 2.99Å; G31-F95 WeakPolarHBondContact O-CZ 3.15Å; G31-P181 VanDerWaalsContact CA-O 3.3Å; G31-P181 WeakPolarHBondContact CA-O 3.41Å
32	H	98.4	Very high	98.5	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.046	8%	0.082	C	C	.	.	S	Bend	trans	-64	134.7	169.1	-175.8	-73.3	0	0	0	109.4	V28 S29 D34 K35 M36 K268	V28-H32 HydrophobicContact CB-CB 3.77Å; V28-H32 HydrophobicContact CG2-CB 3.92Å; S29-H32 WeakPolarHBondContact O-CB 3.35Å; S29-H32 PolarHBondContact O-N 2.79Å; H32-D34 IonicContact CE1-OD2 2.66Å; H32-D34 PolarHBondContact CE1-OD2 2.67Å; H32-D34 VanDerWaalsContact CE1-OD2 3.22Å; H32-D34 PolarHBondContact ND1-N 3.14Å; H32-D34 VanDerWaalsContact ND1-N 3.16Å; H32-D34 IonicContact ND1-OD2 3.17Å; H32-D34 PolarHBondContact O-N 3.49Å; H32-K35 HydrophobicContact CB-CB 4.31Å; H32-K35 CarbonylContact O-C 3.58Å; H32-K35 WeakPolarHBondContact O-CA 3.19Å; H32-K35 PolarHBondContact O-N 2.65Å; H32-M36 PolarHBondContact O-N 3.33Å; H32-K268 VanDerWaalsContact CE1-CE 3.45Å; H32-K268 WeakPolarHBondContact CE1-CE 3.17Å
33	P	98.1	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-39.9	-171.1	21.8	-32.8	0	0	0	113.6	K35 M36 C37 P258 D261	P33-K35 VanDerWaalsContact C-N 3.32Å; P33-K35 PolarHBondContact O-N 2.77Å; P33-M36 WeakPolarHBondContact O-CB 3.47Å; P33-M36 PolarHBondContact O-N 3.42Å; P33-C37 PolarHBondContact O-N 3.19Å; P33-C37 VanDerWaalsContact O-N 3.08Å; P33-C37 PolarHBondContact O-SG 3.26Å; P33-C37 VanDerWaalsContact O-SG 3.37Å; P33-P258 HydrophobicContact CB-CG 4.26Å; P33-D261 HydrophobicContact CG-CB 4Å
34	D	98.6	Very high	98.5	Very high	13 Å²	13	9.7 Å²	9.7	7%	0.07	5%	0.051	C	C	.	.	H	α-helix	trans	-60.7	-38	172.2	-65.5	-37.3	0	0	0	113.2	H32 C37 D38 G263 L264 R267 K268	H32-D34 IonicContact CE1-OD2 2.66Å; H32-D34 PolarHBondContact CE1-OD2 2.67Å; H32-D34 VanDerWaalsContact CE1-OD2 3.22Å; H32-D34 PolarHBondContact ND1-N 3.14Å; H32-D34 VanDerWaalsContact ND1-N 3.16Å; H32-D34 IonicContact ND1-OD2 3.17Å; H32-D34 PolarHBondContact O-N 3.49Å; D34-C37 WeakPolarHBondContact O-CB 3.42Å; D34-C37 PolarHBondContact O-N 3.48Å; D34-D38 PolarHBondContact O-N 2.99Å; D34-G263 VanDerWaalsContact OD1-CA 3.28Å; D34-G263 WeakPolarHBondContact OD1-CA 3.3Å; D34-L264 PolarHBondContact OD1-N 3.3Å; D34-R267 HydrophobicContact CB-CB 4.18Å; D34-K268 HydrophobicContact CB-CG 3.76Å; D34-K268 IonicContact OD2-NZ 3.83Å; D34-K268 PolarHBondContact OD2-NZ 2.79Å
35	K	98.5	Very high	98.5	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.009	4%	0.035	C	C	.	.	H	α-helix	trans	-76.5	-29.6	178.8	-80.6	-47.8	-167.2	-172.1	0	113.8	V28 S29 H32 P33 C37 D38 M39 K268 D272	V28-K35 HydrophobicContact CG2-CG 3.54Å; S29-K35 VanDerWaalsContact O-CB 3.23Å; S29-K35 WeakPolarHBondContact O-CB 3.42Å; H32-K35 HydrophobicContact CB-CB 4.31Å; H32-K35 CarbonylContact O-C 3.58Å; H32-K35 WeakPolarHBondContact O-CA 3.19Å; H32-K35 PolarHBondContact O-N 2.65Å; P33-K35 VanDerWaalsContact C-N 3.32Å; P33-K35 PolarHBondContact O-N 2.77Å; K35-C37 VanDerWaalsContact C-N 3.31Å; K35-D38 HydrophobicContact CD-CB 4.19Å; K35-D38 VanDerWaalsContact CD-OD2 3.29Å; K35-D38 WeakPolarHBondContact CD-OD2 3.48Å; K35-D38 IonicContact NZ-OD2 3.69Å; K35-D38 PolarHBondContact NZ-OD2 3.03Å; K35-D38 PolarHBondContact O-N 2.98Å; K35-M39 WeakPolarHBondContact O-CB 3.45Å; K35-M39 WeakPolarHBondContact O-CG 3.15Å; K35-M39 PolarHBondContact O-N 3.27Å; K35-K268 HydrophobicContact CD-CB 4.29Å; K35-D272 VanDerWaalsContact CE-OD1 3.31Å; K35-D272 WeakPolarHBondContact CE-OD1 3.46Å; K35-D272 IonicContact NZ-OD1 3.85Å; K35-D272 PolarHBondContact NZ-OD1 2.93Å; K35-D272 IonicContact NZ-OD2 2.96Å; K35-D272 PolarHBondContact NZ-OD2 3.48Å
36	M	98.2	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.3	-46.8	165.6	176.3	-171.9	-61.7	0	0	110.5	H32 P33 M39 I40 L68 V90 I93 F95 F102 P258	H32-M36 PolarHBondContact O-N 3.33Å; P33-M36 WeakPolarHBondContact O-CB 3.47Å; P33-M36 PolarHBondContact O-N 3.42Å; M36-M39 PolarHBondContact O-N 3.24Å; M36-I40 HydrophobicContact CG-CD1 3.75Å; M36-I40 HydrophobicContact CG-CG1 4.47Å; M36-I40 VanDerWaalsContact O-CG1 3.31Å; M36-I40 WeakPolarHBondContact O-CG1 3.39Å; M36-I40 PolarHBondContact O-N 3.16Å; M36-I40 HydrophobicContact SD-CD1 4.43Å; M36-L68 HydrophobicContact SD-CD2 4.31Å; M36-V90 HydrophobicContact SD-CG2 4.26Å; M36-I93 HydrophobicContact CB-CD1 3.97Å; M36-I93 HydrophobicContact CG-CD1 3.77Å; M36-F95 HydrophobicContact CE-CD2 3.13Å; M36-F95 HydrophobicContact CE-CE2 3.13Å; M36-F95 HydrophobicContact CE-CG 4.12Å; M36-F95 HydrophobicContact CE-CZ 4.13Å; M36-F102 HydrophobicContact CE-CD1 4.44Å; M36-F102 HydrophobicContact SD-CE1 4.45Å; M36-P258 HydrophobicContact CE-CG 3.88Å; M36-P258 HydrophobicContact SD-CG 3.8Å
37	C	98.8	Very high	98.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-59.4	-48.4	176.9	-68	0	0	0	0	112	P33 D34 K35 M39 I40 S41 T61 A63 G263	P33-C37 PolarHBondContact O-N 3.19Å; P33-C37 VanDerWaalsContact O-N 3.08Å; P33-C37 PolarHBondContact O-SG 3.26Å; P33-C37 VanDerWaalsContact O-SG 3.37Å; D34-C37 WeakPolarHBondContact O-CB 3.42Å; D34-C37 PolarHBondContact O-N 3.48Å; K35-C37 VanDerWaalsContact C-N 3.31Å; C37-M39 VanDerWaalsContact C-N 3.33Å; C37-M39 PolarHBondContact O-N 2.9Å; C37-I40 PolarHBondContact O-N 3.37Å; C37-S41 WeakPolarHBondContact O-CB 3.5Å; C37-S41 PolarHBondContact O-N 3.15Å; C37-S41 PolarHBondContact O-OG 3.03Å; C37-T61 HydrophobicContact CB-CG2 4.08Å; C37-T61 WeakPolarHBondContact CB-O 3.42Å; C37-T61 PolarHBondContact SG-O 2.94Å; C37-T61 VanDerWaalsContact SG-O 3.38Å; C37-A63 VanDerWaalsContact SG-CB 3.53Å; C37-G263 PolarHBondContact SG-O 3.09Å; C37-G263 VanDerWaalsContact SG-O 3.33Å
38	D	98.8	Very high	98.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-55.2	-46.6	175.7	-76.3	-35.4	0	0	0	112.3	D34 K35 I40 S41 D42 G266 S286 A378	D34-D38 PolarHBondContact O-N 2.99Å; K35-D38 HydrophobicContact CD-CB 4.19Å; K35-D38 VanDerWaalsContact CD-OD2 3.29Å; K35-D38 WeakPolarHBondContact CD-OD2 3.48Å; K35-D38 IonicContact NZ-OD2 3.69Å; K35-D38 PolarHBondContact NZ-OD2 3.03Å; K35-D38 PolarHBondContact O-N 2.98Å; D38-I40 PolarHBondContact O-N 3.43Å; D38-S41 PolarHBondContact O-N 3.2Å; D38-D42 PolarHBondContact O-N 3.18Å; D38-G266 PolarHBondContact OD1-N 2.89Å; D38-S286 WeakPolarHBondContact CB-OG 3.22Å; D38-S286 VanDerWaalsContact OD1-CB 3.27Å; D38-S286 WeakPolarHBondContact OD1-CB 3.31Å; D38-S286 PolarHBondContact OD1-OG 3.35Å; D38-A378 HydrophobicContact CB-CB 4.07Å
39	M	98.6	Very high	98.4	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66	-37.1	179.3	-76	-179.5	62.7	0	0	113.3	E30 K35 M36 C37 A43 T89 I93 A378 R379	E30-M39 HydrophobicContact CB-CE 4.34Å; E30-M39 HydrophobicContact CB-SD 3.37Å; E30-M39 WeakPolarHBondContact CB-SD 3.19Å; K35-M39 WeakPolarHBondContact O-CB 3.45Å; K35-M39 WeakPolarHBondContact O-CG 3.15Å; K35-M39 PolarHBondContact O-N 3.27Å; M36-M39 PolarHBondContact O-N 3.24Å; C37-M39 VanDerWaalsContact C-N 3.33Å; C37-M39 PolarHBondContact O-N 2.9Å; M39-A43 VanDerWaalsContact O-CB 3.24Å; M39-A43 WeakPolarHBondContact O-CB 3.07Å; M39-A43 PolarHBondContact O-N 2.68Å; M39-T89 HydrophobicContact CB-CG2 4.05Å; M39-I93 HydrophobicContact CB-CD1 4.47Å; M39-I93 HydrophobicContact CE-CD1 4.14Å; M39-I93 HydrophobicContact CE-CG1 3.74Å; M39-I93 HydrophobicContact SD-CD1 4.04Å; M39-I93 HydrophobicContact SD-CG1 3.97Å; M39-A378 HydrophobicContact CB-CB 4.36Å; M39-A378 HydrophobicContact CG-CB 3.6Å; M39-R379 HydrophobicContact CE-CG 4.16Å; M39-R379 HydrophobicContact SD-CG 3.84Å
40	I	98.8	Very high	98.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.3	-48.9	176.2	-70.8	166.5	0	0	0	109.7	M36 C37 D38 D42 A43 I44 T61 L68 L70 V86 T89 V90	M36-I40 HydrophobicContact CG-CD1 3.75Å; M36-I40 HydrophobicContact CG-CG1 4.47Å; M36-I40 VanDerWaalsContact O-CG1 3.31Å; M36-I40 WeakPolarHBondContact O-CG1 3.39Å; M36-I40 PolarHBondContact O-N 3.16Å; M36-I40 HydrophobicContact SD-CD1 4.43Å; C37-I40 PolarHBondContact O-N 3.37Å; D38-I40 PolarHBondContact O-N 3.43Å; I40-D42 VanDerWaalsContact C-N 3.32Å; I40-D42 PolarHBondContact O-N 3.11Å; I40-A43 WeakPolarHBondContact O-CB 3.44Å; I40-A43 PolarHBondContact O-N 3.11Å; I40-A43 VanDerWaalsContact O-N 3.09Å; I40-I44 WeakPolarHBondContact O-CG1 3.36Å; I40-I44 PolarHBondContact O-N 3.42Å; I40-T61 HydrophobicContact CB-CG2 4.12Å; I40-T61 HydrophobicContact CD1-CG2 4.16Å; I40-T61 HydrophobicContact CG2-CG2 3.95Å; I40-T61 WeakPolarHBondContact CG2-OG1 3.3Å; I40-L68 HydrophobicContact CD1-CD1 3.93Å; I40-L68 HydrophobicContact CD1-CD2 3.78Å; I40-L68 HydrophobicContact CD1-CG 4.49Å; I40-L70 HydrophobicContact CG2-CD2 3.72Å; I40-V86 HydrophobicContact CD1-CG1 4.41Å; I40-V86 HydrophobicContact CG2-CG2 3.84Å; I40-T89 HydrophobicContact CG1-CG2 3.8Å; I40-V90 HydrophobicContact CD1-CG2 4.02Å
41	S	98.9	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.9	-43.2	177.9	-79.5	0	0	0	0	112.6	C37 D38 I44 L45 C59 T61 T265	C37-S41 WeakPolarHBondContact O-CB 3.5Å; C37-S41 PolarHBondContact O-N 3.15Å; C37-S41 PolarHBondContact O-OG 3.03Å; D38-S41 PolarHBondContact O-N 3.2Å; S41-I44 PolarHBondContact O-N 3.11Å; S41-L45 PolarHBondContact O-N 2.78Å; S41-L45 VanDerWaalsContact O-N 3.1Å; S41-C59 WeakPolarHBondContact CB-O 3.37Å; S41-C59 PolarHBondContact OG-O 3.24Å; S41-T61 PolarHBondContact OG-N 3.23Å; S41-T61 PolarHBondContact OG-OG1 2.94Å; S41-T265 PolarHBondContact OG-OG1 2.68Å; S41-T265 VanDerWaalsContact OG-OG1 3.09Å
42	D	98.8	Very high	98.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-74.7	-28.3	175.1	-85.1	-19.9	0	0	0	114.1	D38 I40 I44 L45 D46 S286 G287 R295 T377	D38-D42 PolarHBondContact O-N 3.18Å; I40-D42 VanDerWaalsContact C-N 3.32Å; I40-D42 PolarHBondContact O-N 3.11Å; D42-I44 VanDerWaalsContact C-N 3.32Å; D42-L45 PolarHBondContact O-N 3.01Å; D42-D46 WeakPolarHBondContact O-CB 3.35Å; D42-D46 PolarHBondContact O-N 3.32Å; D42-S286 WeakPolarHBondContact OD1-CA 3.38Å; D42-G287 PolarHBondContact OD1-N 3.09Å; D42-R295 IonicContact OD1-CZ 3.85Å; D42-R295 VanDerWaalsContact OD1-CZ 3.3Å; D42-R295 IonicContact OD1-NH1 2.61Å; D42-R295 PolarHBondContact OD1-NH1 3.07Å; D42-R295 IonicContact OD1-NH2 3.94Å; D42-R295 PolarHBondContact OD1-NH2 2.98Å; D42-R295 IonicContact OD2-NH2 2.65Å; D42-R295 PolarHBondContact OD2-NH2 2.87Å; D42-T377 PolarHBondContact OD2-OG1 3.01Å
43	A	98.7	Very high	98.4	Very high	6 Å²	6	15.3 Å²	15.3	5%	0.05	9%	0.094	C	C	.	.	H	α-helix	trans	-65.2	-37.8	171.3	0	0	0	0	0	111.7	M39 I40 A47 I85 T89 K375	M39-A43 VanDerWaalsContact O-CB 3.24Å; M39-A43 WeakPolarHBondContact O-CB 3.07Å; M39-A43 PolarHBondContact O-N 2.68Å; I40-A43 WeakPolarHBondContact O-CB 3.44Å; I40-A43 PolarHBondContact O-N 3.11Å; I40-A43 VanDerWaalsContact O-N 3.09Å; A43-A47 WeakPolarHBondContact O-CB 3.34Å; A43-A47 PolarHBondContact O-N 3.01Å; A43-A47 VanDerWaalsContact O-N 3.07Å; A43-I85 HydrophobicContact CB-CG2 3.67Å; A43-T89 WeakPolarHBondContact CB-OG1 3.33Å; A43-K375 HydrophobicContact CB-CD 3.85Å; A43-K375 HydrophobicContact CB-CG 4.41Å
44	I	98.7	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-48.6	172.1	-64.7	-46.8	0	0	0	110.4	I40 S41 D42 D46 A47 H48 C59 L70 I74 Y82 I85	I40-I44 WeakPolarHBondContact O-CG1 3.36Å; I40-I44 PolarHBondContact O-N 3.42Å; S41-I44 PolarHBondContact O-N 3.11Å; D42-I44 VanDerWaalsContact C-N 3.32Å; I44-D46 PolarHBondContact O-N 3.45Å; I44-A47 PolarHBondContact O-N 2.9Å; I44-H48 PolarHBondContact O-CD2 2.97Å; I44-H48 VanDerWaalsContact O-CD2 3.27Å; I44-H48 PolarHBondContact O-N 3.21Å; I44-H48 VanDerWaalsContact O-N 3.1Å; I44-C59 HydrophobicContact CG2-CB 4.26Å; I44-L70 HydrophobicContact CD1-CD1 4.3Å; I44-L70 HydrophobicContact CG1-CD1 4.22Å; I44-I74 HydrophobicContact CG2-CD1 3.76Å; I44-Y82 HydrophobicContact CD1-CD1 3.69Å; I44-Y82 HydrophobicContact CD1-CE1 4.43Å; I44-Y82 HydrophobicContact CG1-CD1 4.31Å; I44-Y82 HydrophobicContact CG2-CD1 4.09Å; I44-Y82 HydrophobicContact CG2-CE1 3.74Å; I44-I85 HydrophobicContact CD1-CB 3.95Å; I44-I85 HydrophobicContact CD1-CD1 4.2Å; I44-I85 HydrophobicContact CD1-CG2 3.72Å
45	L	98.7	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.7	-49.4	176.4	172.6	66.2	0	0	0	112.2	S41 D42 A47 H48 L49 V57 K288 D289 Y374	S41-L45 PolarHBondContact O-N 2.78Å; S41-L45 VanDerWaalsContact O-N 3.1Å; D42-L45 PolarHBondContact O-N 3.01Å; L45-A47 VanDerWaalsContact C-N 3.29Å; L45-A47 PolarHBondContact O-N 2.98Å; L45-H48 PolarHBondContact O-N 2.86Å; L45-L49 HydrophobicContact CD1-CD1 3.71Å; L45-L49 HydrophobicContact CD1-CG 3.84Å; L45-L49 HydrophobicContact CD2-CD1 4.42Å; L45-L49 HydrophobicContact CG-CD1 3.86Å; L45-L49 HydrophobicContact CG-CG 4.3Å; L45-L49 WeakPolarHBondContact O-CG 3.27Å; L45-L49 PolarHBondContact O-N 3.48Å; L45-V57 HydrophobicContact CB-CG1 4.35Å; L45-V57 HydrophobicContact CD1-CB 3.72Å; L45-V57 HydrophobicContact CD1-CG1 4.16Å; L45-V57 HydrophobicContact CD1-CG2 3.71Å; L45-K288 VanDerWaalsContact CD2-O 3.3Å; L45-K288 WeakPolarHBondContact CD2-O 3.4Å; L45-D289 HydrophobicContact CD1-CB 3.94Å; L45-Y374 HydrophobicContact CD2-CD1 4.34Å; L45-Y374 HydrophobicContact CD2-CD2 3.46Å; L45-Y374 VanDerWaalsContact CD2-CD2 3.46Å; L45-Y374 HydrophobicContact CD2-CE2 4.08Å; L45-Y374 HydrophobicContact CD2-CG 3.62Å; L45-Y374 HydrophobicContact CG-CD2 3.99Å
46	D	98.8	Very high	98	Very high	21 Å²	21	20.9 Å²	20.9	11%	0.112	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-41.6	179.7	-79.2	-13.6	0	0	0	111.1	D42 I44 H48 L49 A50 P372 I373 Y374 K375	D42-D46 WeakPolarHBondContact O-CB 3.35Å; D42-D46 PolarHBondContact O-N 3.32Å; I44-D46 PolarHBondContact O-N 3.45Å; D46-H48 VanDerWaalsContact C-N 3.33Å; D46-H48 PolarHBondContact O-N 2.79Å; D46-L49 PolarHBondContact O-N 3.42Å; D46-A50 VanDerWaalsContact O-CB 3.29Å; D46-A50 WeakPolarHBondContact O-CB 3.32Å; D46-A50 PolarHBondContact O-N 3.12Å; D46-P372 HydrophobicContact CB-CB 3.85Å; D46-P372 WeakPolarHBondContact O-CB 3.26Å; D46-P372 VanDerWaalsContact OD1-CA 3.25Å; D46-P372 WeakPolarHBondContact OD1-CA 3.48Å; D46-I373 PolarHBondContact OD1-N 2.83Å; D46-Y374 WeakPolarHBondContact OD1-CB 3.44Å; D46-Y374 WeakPolarHBondContact OD1-CD2 3.1Å; D46-Y374 PolarHBondContact OD1-N 3.07Å; D46-Y374 PolarHBondContact OD2-N 3.03Å; D46-K375 WeakPolarHBondContact OD2-CB 3.46Å; D46-K375 PolarHBondContact OD2-N 3.1Å
47	A	98.6	Very high	98	Very high	21 Å²	21	20.9 Å²	20.9	17%	0.174	12%	0.124	C	C	.	.	H	α-helix	trans	-63	-37.8	177.9	0	0	0	0	0	113	A43 I44 L45 V80 I85	A43-A47 WeakPolarHBondContact O-CB 3.34Å; A43-A47 PolarHBondContact O-N 3.01Å; A43-A47 VanDerWaalsContact O-N 3.07Å; I44-A47 PolarHBondContact O-N 2.9Å; L45-A47 VanDerWaalsContact C-N 3.29Å; L45-A47 PolarHBondContact O-N 2.98Å; A47-V80 HydrophobicContact CB-CG1 3.93Å; A47-V80 HydrophobicContact CB-CG2 4.35Å; A47-I85 HydrophobicContact CB-CD1 3.39Å; A47-I85 HydrophobicContact CB-CG1 4.48Å
48	H	98.6	Very high	98	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-67.8	-50.6	173.3	-81.9	-76.6	0	0	0	111.8	I44 L45 D46 A50 Q51 D52 A55 V57 S76 Y82	I44-H48 PolarHBondContact O-CD2 2.97Å; I44-H48 VanDerWaalsContact O-CD2 3.27Å; I44-H48 PolarHBondContact O-N 3.21Å; I44-H48 VanDerWaalsContact O-N 3.1Å; L45-H48 PolarHBondContact O-N 2.86Å; D46-H48 VanDerWaalsContact C-N 3.33Å; D46-H48 PolarHBondContact O-N 2.79Å; H48-A50 PolarHBondContact O-N 2.67Å; H48-Q51 PolarHBondContact O-N 3.16Å; H48-Q51 VanDerWaalsContact O-N 3.11Å; H48-D52 PolarHBondContact O-N 2.69Å; H48-A55 HydrophobicContact CB-CB 3.85Å; H48-V57 HydrophobicContact CB-CG2 4.08Å; H48-S76 VanDerWaalsContact ND1-CB 3.26Å; H48-S76 WeakPolarHBondContact ND1-CB 3.37Å; H48-S76 PolarHBondContact ND1-OG 2.9Å; H48-Y82 PolarHBondContact CE1-OH 2.98Å; H48-Y82 AromaticContact NE2-CE1 3.56Å; H48-Y82 AromaticContact NE2-CZ 3.62Å; H48-Y82 PolarHBondContact NE2-OH 3.22Å
49	L	98.4	Very high	98	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-27.2	-177.9	-69.7	179.5	0	0	0	113.4	L45 D46 Q51 A55 Y374	L45-L49 HydrophobicContact CD1-CD1 3.71Å; L45-L49 HydrophobicContact CD1-CG 3.84Å; L45-L49 HydrophobicContact CD2-CD1 4.42Å; L45-L49 HydrophobicContact CG-CD1 3.86Å; L45-L49 HydrophobicContact CG-CG 4.3Å; L45-L49 WeakPolarHBondContact O-CG 3.27Å; L45-L49 PolarHBondContact O-N 3.48Å; D46-L49 PolarHBondContact O-N 3.42Å; L49-Q51 PolarHBondContact O-N 3.25Å; L49-A55 HydrophobicContact CD2-CB 4.3Å; L49-Y374 HydrophobicContact CD1-CD2 3.81Å; L49-Y374 HydrophobicContact CD1-CE2 3.42Å; L49-Y374 VanDerWaalsContact CD1-CE2 3.42Å
50	A	98.3	Very high	98	Very high	67 Å²	67	24.8 Å²	24.8	55%	0.554	15%	0.145	S	C	*	.	H	α-helix	trans	-64.3	-28.5	175.1	0	0	0	0	0	113.2	D46 H48 P372	D46-A50 VanDerWaalsContact O-CB 3.29Å; D46-A50 WeakPolarHBondContact O-CB 3.32Å; D46-A50 PolarHBondContact O-N 3.12Å; H48-A50 PolarHBondContact O-N 2.67Å; A50-P372 HydrophobicContact CB-CB 4.16Å; A50-P372 HydrophobicContact CB-CG 4.1Å
51	Q	98.3	Very high	98	Very high	109 Å²	109	24.9 Å²	24.9	51%	0.509	15%	0.145	S	C	.	.	H	α-helix	trans	-107.3	-31.7	-178.7	-60.4	-178.5	42.5	0	0	112.6	H48 L49 A78 N79	H48-Q51 PolarHBondContact O-N 3.16Å; H48-Q51 VanDerWaalsContact O-N 3.11Å; L49-Q51 PolarHBondContact O-N 3.25Å; Q51-A78 HydrophobicContact CB-CB 3.66Å; Q51-A78 HydrophobicContact CG-CB 4.35Å; Q51-N79 PolarHBondContact NE2-O 3.2Å; Q51-N79 PolarHBondContact OE1-O 2.93Å
52	D	97.8	Very high	98	Very high	16 Å²	16	26.9 Å²	26.9	9%	0.086	16%	0.157	C	C	.	.			trans	-137.4	92.5	-177.5	177	13	0	0	0	109.6	H48 N54 A55 S76 N77 A78	H48-D52 PolarHBondContact O-N 2.69Å; D52-N54 PolarHBondContact O-N 2.85Å; D52-N54 PolarHBondContact OD1-N 3.22Å; D52-A55 HydrophobicContact CB-CB 4.33Å; D52-A55 VanDerWaalsContact O-CB 3.25Å; D52-A55 WeakPolarHBondContact O-CB 3.35Å; D52-A55 PolarHBondContact O-N 3.29Å; D52-A55 PolarHBondContact OD1-N 3.47Å; D52-S76 WeakPolarHBondContact CB-OG 3.45Å; D52-S76 VanDerWaalsContact OD2-CA 3.28Å; D52-S76 WeakPolarHBondContact OD2-CA 3.21Å; D52-S76 PolarHBondContact OD2-OG 2.87Å; D52-N77 PolarHBondContact OD2-N 2.94Å; D52-A78 HydrophobicContact CB-CB 4.3Å
53	P	96.4	Very high	98	Very high	60 Å²	60	26.9 Å²	26.9	39%	0.39	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.8	177.6	-26.1	35.4	0	0	0	114	L370	P53-L370 HydrophobicContact CB-CB 4.17Å; P53-L370 WeakPolarHBondContact O-CD2 3.32Å
54	N	93.4	Very high	97.9	Very high	111 Å²	111	30.1 Å²	30.1	59%	0.594	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	6.4	178.4	-63.6	-55.2	0	0	0	113.1	D52 K56	D52-N54 PolarHBondContact O-N 2.85Å; D52-N54 PolarHBondContact OD1-N 3.22Å; N54-K56 PolarHBondContact O-NZ 3.34Å
55	A	96.5	Very high	97.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	19%	0.189	C	C	.	.			trans	-51.3	142.1	177.3	0	0	0	0	0	111.7	H48 L49 D52 V57 S76	H48-A55 HydrophobicContact CB-CB 3.85Å; L49-A55 HydrophobicContact CD2-CB 4.3Å; D52-A55 HydrophobicContact CB-CB 4.33Å; D52-A55 VanDerWaalsContact O-CB 3.25Å; D52-A55 WeakPolarHBondContact O-CB 3.35Å; D52-A55 PolarHBondContact O-N 3.29Å; D52-A55 PolarHBondContact OD1-N 3.47Å; A55-V57 HydrophobicContact CB-CG2 4.1Å; A55-S76 WeakPolarHBondContact CB-OG 3.47Å
56	K	96.4	Very high	97.6	Very high	21 Å²	21	36.6 Å²	36.6	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.8	172.2	-60.9	-72.8	155.4	-75.9	0	107.1	N54 I74 T75 D289	N54-K56 PolarHBondContact O-NZ 3.34Å; K56-I74 CarbonylContact O-C 3.52Å; K56-I74 WeakPolarHBondContact O-CA 3.2Å; K56-T75 PolarHBondContact N-O 3.29Å; K56-T75 PolarHBondContact O-N 2.69Å; K56-D289 VanDerWaalsContact CA-OD2 3.3Å; K56-D289 WeakPolarHBondContact CA-OD2 3.2Å; K56-D289 IonicContact NZ-OD1 3.77Å
57	V	97.9	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.1	-171	-172.6	0	0	0	0	108.7	L45 H48 A55 C59 I74 G287 K288 D289	L45-V57 HydrophobicContact CB-CG1 4.35Å; L45-V57 HydrophobicContact CD1-CB 3.72Å; L45-V57 HydrophobicContact CD1-CG1 4.16Å; L45-V57 HydrophobicContact CD1-CG2 3.71Å; H48-V57 HydrophobicContact CB-CG2 4.08Å; A55-V57 HydrophobicContact CB-CG2 4.1Å; V57-C59 HydrophobicContact CG1-CB 3.88Å; V57-I74 HydrophobicContact CG1-CD1 4.1Å; V57-I74 HydrophobicContact CG1-CG1 4.07Å; V57-I74 HydrophobicContact CG2-CG2 4.4Å; V57-G287 CarbonylContact C-O 3.59Å; V57-G287 WeakPolarHBondContact CG1-O 3.34Å; V57-K288 WeakPolarHBondContact O-CA 3.35Å; V57-D289 HydrophobicContact CB-CB 4.26Å; V57-D289 PolarHBondContact N-OD2 2.68Å; V57-D289 PolarHBondContact O-N 3.02Å
58	A	98.2	Very high	97.6	Very high	16 Å²	16	37.2 Å²	37.2	13%	0.132	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	74.5	166	0	0	0	0	0	106.9	G72 E73 G287	A58-G72 CarbonylContact O-C 3.53Å; A58-G72 WeakPolarHBondContact O-CA 3.19Å; A58-E73 PolarHBondContact N-O 3.36Å; A58-E73 PolarHBondContact O-N 3.11Å; A58-G287 CarbonylContact C-O 3.5Å; A58-G287 VanDerWaalsContact CA-O 3.3Å; A58-G287 WeakPolarHBondContact CA-O 3.11Å; A58-G287 PolarHBondContact N-O 2.8Å
59	C	98.6	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.1	-174.4	-176.6	0	0	0	0	110.9	S41 I44 V57 I74 G287	S41-C59 WeakPolarHBondContact CB-O 3.37Å; S41-C59 PolarHBondContact OG-O 3.24Å; I44-C59 HydrophobicContact CG2-CB 4.26Å; V57-C59 HydrophobicContact CG1-CB 3.88Å; C59-I74 HydrophobicContact CB-CD1 4.19Å; C59-G287 PolarHBondContact N-O 3.13Å; C59-G287 WeakPolarHBondContact O-CA 3.3Å
60	E	98.8	Very high	97.6	Very high	66 Å²	66	39.9 Å²	39.9	31%	0.308	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.3	175.2	-56.6	-63.6	171.5	0	0	109.9	L70 C71 T265	E60-L70 CarbonylContact O-C 3.55Å; E60-L70 WeakPolarHBondContact O-CA 3.35Å; E60-C71 PolarHBondContact N-O 2.77Å; E60-C71 PolarHBondContact O-N 2.75Å; E60-T265 VanDerWaalsContact OE2-CB 3.24Å; E60-T265 WeakPolarHBondContact OE2-CB 3.47Å; E60-T265 WeakPolarHBondContact OE2-CG2 3.43Å
61	T	98.9	Very high	97.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.4	174.1	-53.6	0	0	0	0	110.8	C37 I40 S41 L68 M69 L70 L264 T265	C37-T61 HydrophobicContact CB-CG2 4.08Å; C37-T61 WeakPolarHBondContact CB-O 3.42Å; C37-T61 PolarHBondContact SG-O 2.94Å; C37-T61 VanDerWaalsContact SG-O 3.38Å; I40-T61 HydrophobicContact CB-CG2 4.12Å; I40-T61 HydrophobicContact CD1-CG2 4.16Å; I40-T61 HydrophobicContact CG2-CG2 3.95Å; I40-T61 WeakPolarHBondContact CG2-OG1 3.3Å; S41-T61 PolarHBondContact OG-N 3.23Å; S41-T61 PolarHBondContact OG-OG1 2.94Å; T61-L68 HydrophobicContact CG2-CD2 4.07Å; T61-M69 CarbonylContact C-O 3.5Å; T61-M69 WeakPolarHBondContact CA-O 2.86Å; T61-L70 HydrophobicContact CG2-CD2 4.04Å; T61-L70 WeakPolarHBondContact OG1-CD2 2.93Å; T61-L264 WeakPolarHBondContact O-CA 2.99Å; T61-T265 WeakPolarHBondContact CA-OG1 3.33Å; T61-T265 WeakPolarHBondContact CB-OG1 3.39Å; T61-T265 PolarHBondContact N-OG1 2.76Å; T61-T265 PolarHBondContact O-N 3.37Å; T61-T265 PolarHBondContact O-OG1 3.21Å; T61-T265 VanDerWaalsContact O-OG1 3.08Å
62	V	98.7	Very high	97.6	Very high	43 Å²	43	33.8 Å²	33.8	26%	0.261	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.1	170.4	-178.4	0	0	0	0	109.5	L68 M69 G263 L264	V62-L68 CarbonylContact O-C 3.51Å; V62-L68 WeakPolarHBondContact O-CA 3.32Å; V62-M69 HydrophobicContact CB-CB 4.32Å; V62-M69 PolarHBondContact N-O 3.22Å; V62-M69 PolarHBondContact O-N 2.7Å; V62-G263 CarbonylContact C-O 3.52Å; V62-G263 WeakPolarHBondContact CA-O 3.16Å; V62-L264 HydrophobicContact CG1-CG 4.49Å; V62-L264 HydrophobicContact CG2-CG 4.44Å
63	A	98.4	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.7	178.5	0	0	0	0	0	111.4	C37 M67 L68 P258 A262 G263	C37-A63 VanDerWaalsContact SG-CB 3.53Å; A63-M67 WeakPolarHBondContact CA-O 3.42Å; A63-L68 HydrophobicContact CB-CD2 3.57Å; A63-P258 HydrophobicContact CB-CB 4.22Å; A63-P258 HydrophobicContact CB-CG 4.1Å; A63-A262 CarbonylContact O-C 3.54Å; A63-A262 WeakPolarHBondContact O-CA 3.28Å; A63-G263 PolarHBondContact N-O 3.28Å; A63-G263 PolarHBondContact O-N 2.93Å
64	K	97.7	Very high	97.6	Very high	73 Å²	73	35.2 Å²	35.2	32%	0.317	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	179.3	164.6	-167.2	53.7	-163.1	160.1	0	110	D66 M67 F102 P258 S260 A262	K64-D66 PolarHBondContact O-N 3.42Å; K64-M67 PolarHBondContact N-O 2.95Å; K64-M67 PolarHBondContact O-N 3.48Å; K64-F102 WeakPolarHBondContact O-CE2 3.37Å; K64-P258 PolarHBondContact NZ-O 3.4Å; K64-S260 PolarHBondContact NZ-O 3.35Å; K64-A262 HydrophobicContact CD-CB 3.98Å
65	T	96.2	Very high	97.8	Very high	65 Å²	65	32.5 Å²	32.5	40%	0.399	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-38.8	114.7	177.8	-47.6	0	0	0	0	111.6	M67 P258	T65-M67 PolarHBondContact O-N 2.86Å; T65-M67 VanDerWaalsContact O-N 3.08Å; T65-P258 PolarHBondContact N-O 3.29Å
66	D	94.8	Very high	97.8	Very high	71 Å²	71	34 Å²	34	38%	0.38	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	18.2	179.4	-53.2	-35.2	0	0	0	116.5	K64 N108	K64-D66 PolarHBondContact O-N 3.42Å; D66-N108 WeakPolarHBondContact O-CB 3.21Å; D66-N108 PolarHBondContact O-N 3.41Å
67	M	97.8	Very high	97.8	Very high	56 Å²	56	40.3 Å²	40.3	28%	0.276	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.6	-176.8	-172.8	-164.7	77.5	0	0	112.7	A63 K64 T65 N108 I110	A63-M67 WeakPolarHBondContact CA-O 3.42Å; K64-M67 PolarHBondContact N-O 2.95Å; K64-M67 PolarHBondContact O-N 3.48Å; T65-M67 PolarHBondContact O-N 2.86Å; T65-M67 VanDerWaalsContact O-N 3.08Å; M67-N108 WeakPolarHBondContact CA-O 3.45Å; M67-I110 HydrophobicContact CG-CD1 3.96Å; M67-I110 HydrophobicContact CG-CG1 4.49Å; M67-I110 HydrophobicContact SD-CD1 3.71Å
68	L	98.5	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.2	162.2	-72.2	160.5	0	0	0	109	M36 I40 T61 V62 A63 V86 V90 F102 N108 V109 I110	M36-L68 HydrophobicContact SD-CD2 4.31Å; I40-L68 HydrophobicContact CD1-CD1 3.93Å; I40-L68 HydrophobicContact CD1-CD2 3.78Å; I40-L68 HydrophobicContact CD1-CG 4.49Å; T61-L68 HydrophobicContact CG2-CD2 4.07Å; V62-L68 CarbonylContact O-C 3.51Å; V62-L68 WeakPolarHBondContact O-CA 3.32Å; A63-L68 HydrophobicContact CB-CD2 3.57Å; L68-V86 HydrophobicContact CB-CG1 4.37Å; L68-V86 HydrophobicContact CD1-CG1 3.51Å; L68-V90 HydrophobicContact CD1-CG2 3.64Å; L68-F102 HydrophobicContact CD1-CE1 3.86Å; L68-F102 HydrophobicContact CD1-CZ 3.98Å; L68-F102 HydrophobicContact CG-CE1 4.3Å; L68-F102 HydrophobicContact CG-CZ 3.94Å; L68-N108 PolarHBondContact N-O 3.08Å; L68-V109 CarbonylContact O-C 3.56Å; L68-V109 WeakPolarHBondContact O-CA 3.43Å; L68-I110 PolarHBondContact O-N 3.12Å
69	M	98.7	Very high	97.7	Very high	61 Å²	61	47.2 Å²	47.2	30%	0.3	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124	174.3	-178.4	178	-160.4	0	0	109	T61 V62 I110 A112	T61-M69 CarbonylContact C-O 3.5Å; T61-M69 WeakPolarHBondContact CA-O 2.86Å; V62-M69 HydrophobicContact CB-CB 4.32Å; V62-M69 PolarHBondContact N-O 3.22Å; V62-M69 PolarHBondContact O-N 2.7Å; M69-I110 CarbonylContact C-O 3.58Å; M69-I110 VanDerWaalsContact CA-O 3.32Å; M69-I110 WeakPolarHBondContact CA-O 3.44Å; M69-I110 HydrophobicContact CB-CB 4.24Å; M69-I110 HydrophobicContact CE-CG2 4.19Å; M69-I110 HydrophobicContact CG-CB 4.13Å; M69-I110 HydrophobicContact CG-CG2 4.16Å; M69-A112 HydrophobicContact CE-CB 3.71Å
70	L	98.8	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.1	166.4	-55.6	-176.5	0	0	0	108.4	I40 I44 E60 T61 Y82 V86 I110 A112 L113	I40-L70 HydrophobicContact CG2-CD2 3.72Å; I44-L70 HydrophobicContact CD1-CD1 4.3Å; I44-L70 HydrophobicContact CG1-CD1 4.22Å; E60-L70 CarbonylContact O-C 3.55Å; E60-L70 WeakPolarHBondContact O-CA 3.35Å; T61-L70 HydrophobicContact CG2-CD2 4.04Å; T61-L70 WeakPolarHBondContact OG1-CD2 2.93Å; L70-Y82 HydrophobicContact CD1-CD1 4.09Å; L70-Y82 HydrophobicContact CD1-CG 4.41Å; L70-V86 HydrophobicContact CD1-CG2 3.83Å; L70-V86 HydrophobicContact CD2-CG2 4.17Å; L70-V86 HydrophobicContact CG-CG2 4.25Å; L70-I110 PolarHBondContact N-O 3.45Å; L70-A112 PolarHBondContact O-N 2.67Å; L70-L113 HydrophobicContact CB-CD1 4.38Å; L70-L113 HydrophobicContact CB-CD2 4.47Å; L70-L113 HydrophobicContact CB-CG 4.39Å
71	C	98.6	Very high	97.6	Very high	35 Å²	35	49.3 Å²	49.3	24%	0.236	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	169	173.1	58.8	0	0	0	0	111.7	E60 A112	E60-C71 PolarHBondContact N-O 2.77Å; E60-C71 PolarHBondContact O-N 2.75Å; C71-A112 VanDerWaalsContact CA-O 3.29Å; C71-A112 WeakPolarHBondContact CA-O 3.26Å; C71-A112 HydrophobicContact CB-CB 4.26Å
72	G	97.9	Very high	97.5	Very high	13 Å²	13	51.5 Å²	51.5	13%	0.134	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	111.2	-154.4	-178.3	0	0	0	0	0	112.7	A58 L113 E114	A58-G72 CarbonylContact O-C 3.53Å; A58-G72 WeakPolarHBondContact O-CA 3.19Å; G72-L113 WeakPolarHBondContact O-CA 3.33Å; G72-E114 PolarHBondContact O-N 2.88Å
73	E	97.7	Very high	97.5	Very high	91 Å²	91	54.9 Å²	54.9	43%	0.425	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.8	-166.7	-53.4	74.8	-141.9	0	0	112.8	A58 E114 Q116	A58-E73 PolarHBondContact N-O 3.36Å; A58-E73 PolarHBondContact O-N 3.11Å; E73-E114 CarbonylContact C-O 3.55Å; E73-E114 VanDerWaalsContact CA-O 3.25Å; E73-E114 WeakPolarHBondContact CA-O 3.44Å; E73-Q116 HydrophobicContact CB-CB 4.5Å
74	I	97.6	Very high	97.5	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.077	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122	175.4	-57.3	-173.3	0	0	0	110.4	I44 K56 V57 C59 Y82 L113 E114	I44-I74 HydrophobicContact CG2-CD1 3.76Å; K56-I74 CarbonylContact O-C 3.52Å; K56-I74 WeakPolarHBondContact O-CA 3.2Å; V57-I74 HydrophobicContact CG1-CD1 4.1Å; V57-I74 HydrophobicContact CG1-CG1 4.07Å; V57-I74 HydrophobicContact CG2-CG2 4.4Å; C59-I74 HydrophobicContact CB-CD1 4.19Å; I74-Y82 HydrophobicContact CD1-CE1 3.97Å; I74-L113 HydrophobicContact CD1-CD1 3.94Å; I74-L113 HydrophobicContact CD1-CD2 4.22Å; I74-L113 HydrophobicContact CG1-CD2 4.33Å; I74-E114 PolarHBondContact N-O 3.04Å
75	T	96.9	Very high	97.5	Very high	54 Å²	54	57.4 Å²	57.4	33%	0.331	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	109.4	169.5	-58.2	0	0	0	0	108.5	K56 Q116	K56-T75 PolarHBondContact N-O 3.29Å; K56-T75 PolarHBondContact O-N 2.69Å; T75-Q116 WeakPolarHBondContact OG1-CB 3.47Å; T75-Q116 PolarHBondContact OG1-N 3.38Å
76	S	96.3	Very high	97.6	Very high	32 Å²	32	54.3 Å²	54.3	22%	0.224	28%	0.284	C	S	.	.			trans	-157.6	153.5	-176.7	-179.2	0	0	0	0	111.1	H48 D52 A55 A78	H48-S76 VanDerWaalsContact ND1-CB 3.26Å; H48-S76 WeakPolarHBondContact ND1-CB 3.37Å; H48-S76 PolarHBondContact ND1-OG 2.9Å; D52-S76 WeakPolarHBondContact CB-OG 3.45Å; D52-S76 VanDerWaalsContact OD2-CA 3.28Å; D52-S76 WeakPolarHBondContact OD2-CA 3.21Å; D52-S76 PolarHBondContact OD2-OG 2.87Å; A55-S76 WeakPolarHBondContact CB-OG 3.47Å; S76-A78 VanDerWaalsContact C-N 3.33Å; S76-A78 WeakPolarHBondContact OG-CB 3.34Å; S76-A78 PolarHBondContact OG-N 3.3Å; S76-A78 VanDerWaalsContact OG-N 3.1Å
77	N	96	Very high	97.8	Very high	155 Å²	155	53.9 Å²	53.9	83%	0.829	28%	0.277	S	S	*	.	S	Bend	trans	-87.2	-1.1	170.3	-62.2	-56.5	0	0	0	113.3	D52	D52-N77 PolarHBondContact OD2-N 2.94Å
78	A	97.6	Very high	97.8	Very high	18 Å²	18	54.4 Å²	54.4	15%	0.149	28%	0.281	C	S	.	.			trans	-70	144.6	-179.8	0	0	0	0	0	112	Q51 D52 S76 V80	Q51-A78 HydrophobicContact CB-CB 3.66Å; Q51-A78 HydrophobicContact CG-CB 4.35Å; D52-A78 HydrophobicContact CB-CB 4.3Å; S76-A78 VanDerWaalsContact C-N 3.33Å; S76-A78 WeakPolarHBondContact OG-CB 3.34Å; S76-A78 PolarHBondContact OG-N 3.3Å; S76-A78 VanDerWaalsContact OG-N 3.1Å; A78-V80 HydrophobicContact CB-CG2 3.77Å
79	N	96.8	Very high	97.8	Very high	142 Å²	142	54.4 Å²	54.4	76%	0.759	28%	0.281	S	S	*	.			trans	-100.9	105.5	169.7	-171.4	9.5	0	0	0	108.8	Q51	Q51-N79 PolarHBondContact NE2-O 3.2Å; Q51-N79 PolarHBondContact OE1-O 2.93Å
80	V	97.4	Very high	97.8	Very high	17 Å²	17	51.5 Å²	51.5	10%	0.103	27%	0.267	C	S	.	.			trans	-120.2	124.7	-167.7	177.7	0	0	0	0	110.3	A47 A78 Y82 I85	A47-V80 HydrophobicContact CB-CG1 3.93Å; A47-V80 HydrophobicContact CB-CG2 4.35Å; A78-V80 HydrophobicContact CB-CG2 3.77Å; V80-Y82 HydrophobicContact CG1-CD1 4.2Å; V80-Y82 HydrophobicContact CG1-CE1 4.15Å; V80-Y82 PolarHBondContact O-N 2.93Å; V80-I85 HydrophobicContact CG1-CD1 3.3Å
81	D	97.8	Very high	97.8	Very high	94 Å²	94	55.5 Å²	55.5	50%	0.503	29%	0.285	S	S	.	.			trans	-84.9	89.7	171.1	-172.2	-18.6	0	0	0	110.2	Y83 Q84 I85	D81-Y83 VanDerWaalsContact C-N 3.27Å; D81-Y83 PolarHBondContact O-N 3.27Å; D81-Y83 PolarHBondContact OD1-N 3.47Å; D81-Y83 VanDerWaalsContact OD1-N 3.12Å; D81-Q84 HydrophobicContact CB-CB 4.08Å; D81-Q84 PolarHBondContact O-N 2.73Å; D81-Q84 PolarHBondContact OD1-N 3.27Å; D81-I85 WeakPolarHBondContact O-CD1 3.37Å; D81-I85 WeakPolarHBondContact O-CG1 3.42Å; D81-I85 PolarHBondContact O-N 3.22Å; D81-I85 VanDerWaalsContact O-N 3.11Å
82	Y	98.2	Very high	97.7	Very high	47 Å²	47	57.9 Å²	57.9	18%	0.184	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-38.5	179.3	-62.7	-74.8	0	0	0	112.9	I44 H48 L70 I74 V80 I85 V86 I111 L113	I44-Y82 HydrophobicContact CD1-CD1 3.69Å; I44-Y82 HydrophobicContact CD1-CE1 4.43Å; I44-Y82 HydrophobicContact CG1-CD1 4.31Å; I44-Y82 HydrophobicContact CG2-CD1 4.09Å; I44-Y82 HydrophobicContact CG2-CE1 3.74Å; H48-Y82 PolarHBondContact CE1-OH 2.98Å; H48-Y82 AromaticContact NE2-CE1 3.56Å; H48-Y82 AromaticContact NE2-CZ 3.62Å; H48-Y82 PolarHBondContact NE2-OH 3.22Å; L70-Y82 HydrophobicContact CD1-CD1 4.09Å; L70-Y82 HydrophobicContact CD1-CG 4.41Å; I74-Y82 HydrophobicContact CD1-CE1 3.97Å; V80-Y82 HydrophobicContact CG1-CD1 4.2Å; V80-Y82 HydrophobicContact CG1-CE1 4.15Å; V80-Y82 PolarHBondContact O-N 2.93Å; Y82-I85 PolarHBondContact O-N 3.41Å; Y82-V86 WeakPolarHBondContact O-CB 3.46Å; Y82-V86 WeakPolarHBondContact O-CG2 3.43Å; Y82-V86 PolarHBondContact O-N 2.86Å; Y82-I111 HydrophobicContact CD2-CD1 4.19Å; Y82-I111 HydrophobicContact CG-CD1 4.21Å; Y82-L113 HydrophobicContact CD1-CD1 4.07Å; Y82-L113 HydrophobicContact CE1-CD1 3.67Å; Y82-L113 HydrophobicContact CE2-CD1 4.3Å
83	Y	98.1	Very high	97.7	Very high	114 Å²	114	57.3 Å²	57.3	45%	0.447	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-46.2	-178.2	-70.5	-84.1	0	0	0	110.6	D81 R87 V109 I111	D81-Y83 VanDerWaalsContact C-N 3.27Å; D81-Y83 PolarHBondContact O-N 3.27Å; D81-Y83 PolarHBondContact OD1-N 3.47Å; D81-Y83 VanDerWaalsContact OD1-N 3.12Å; Y83-R87 WeakPolarHBondContact O-CB 3.37Å; Y83-R87 VanDerWaalsContact O-CG 3.25Å; Y83-R87 WeakPolarHBondContact O-CG 3.33Å; Y83-R87 PolarHBondContact O-N 2.75Å; Y83-R87 VanDerWaalsContact O-N 3.12Å; Y83-V109 HydrophobicContact CD1-CB 3.8Å; Y83-V109 HydrophobicContact CD1-CG1 4.01Å; Y83-V109 HydrophobicContact CE1-CB 3.94Å; Y83-V109 HydrophobicContact CE1-CG1 4.19Å; Y83-V109 WeakPolarHBondContact CE1-O 3.27Å; Y83-I111 HydrophobicContact CD2-CD1 4.01Å; Y83-I111 HydrophobicContact CE1-CD1 4.37Å; Y83-I111 HydrophobicContact CE2-CD1 3.51Å
84	Q	98	Very high	97.7	Very high	95 Å²	95	53.3 Å²	53.3	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-46	179.2	-169.5	61.2	53.2	0	0	111.4	D81 V86 R87 D88	D81-Q84 HydrophobicContact CB-CB 4.08Å; D81-Q84 PolarHBondContact O-N 2.73Å; D81-Q84 PolarHBondContact OD1-N 3.27Å; Q84-V86 PolarHBondContact O-N 2.9Å; Q84-R87 PolarHBondContact O-N 3.3Å; Q84-D88 PolarHBondContact NE2-OD1 3.38Å; Q84-D88 PolarHBondContact NE2-OD2 3.1Å; Q84-D88 WeakPolarHBondContact O-CB 3.44Å; Q84-D88 VanDerWaalsContact O-CG 3.24Å; Q84-D88 PolarHBondContact O-N 3.2Å
85	I	98.4	Very high	97.7	Very high	31 Å²	31	52.6 Å²	52.6	16%	0.159	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-41.2	-177.8	-65.4	159.7	0	0	0	112.2	A43 I44 A47 V80 D81 Y82 T89	A43-I85 HydrophobicContact CB-CG2 3.67Å; I44-I85 HydrophobicContact CD1-CB 3.95Å; I44-I85 HydrophobicContact CD1-CD1 4.2Å; I44-I85 HydrophobicContact CD1-CG2 3.72Å; A47-I85 HydrophobicContact CB-CD1 3.39Å; A47-I85 HydrophobicContact CB-CG1 4.48Å; V80-I85 HydrophobicContact CG1-CD1 3.3Å; D81-I85 WeakPolarHBondContact O-CD1 3.37Å; D81-I85 WeakPolarHBondContact O-CG1 3.42Å; D81-I85 PolarHBondContact O-N 3.22Å; D81-I85 VanDerWaalsContact O-N 3.11Å; Y82-I85 PolarHBondContact O-N 3.41Å; I85-T89 VanDerWaalsContact O-CB 3.31Å; I85-T89 WeakPolarHBondContact O-CB 3.31Å; I85-T89 PolarHBondContact O-N 2.76Å; I85-T89 PolarHBondContact O-OG1 2.75Å
86	V	98.5	Very high	97.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-51.1	175	169.6	0	0	0	0	109.5	I40 L68 L70 Y82 Q84 T89 V90 V109	I40-V86 HydrophobicContact CD1-CG1 4.41Å; I40-V86 HydrophobicContact CG2-CG2 3.84Å; L68-V86 HydrophobicContact CB-CG1 4.37Å; L68-V86 HydrophobicContact CD1-CG1 3.51Å; L70-V86 HydrophobicContact CD1-CG2 3.83Å; L70-V86 HydrophobicContact CD2-CG2 4.17Å; L70-V86 HydrophobicContact CG-CG2 4.25Å; Y82-V86 WeakPolarHBondContact O-CB 3.46Å; Y82-V86 WeakPolarHBondContact O-CG2 3.43Å; Y82-V86 PolarHBondContact O-N 2.86Å; Q84-V86 PolarHBondContact O-N 2.9Å; V86-T89 PolarHBondContact O-N 3.25Å; V86-V90 VanDerWaalsContact O-CG2 3.28Å; V86-V90 WeakPolarHBondContact O-CG2 3.46Å; V86-V90 PolarHBondContact O-N 2.83Å; V86-V109 HydrophobicContact CB-CG1 4.42Å; V86-V109 HydrophobicContact CB-CG2 4.48Å; V86-V109 HydrophobicContact CG1-CG1 4.28Å; V86-V109 HydrophobicContact CG1-CG2 3.83Å; V86-V109 HydrophobicContact CG2-CG1 4.24Å
87	R	98.3	Very high	97.6	Very high	61 Å²	61	54.6 Å²	54.6	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-44.6	-178.2	-70.7	-175	-168.1	-68.1	-2.7	112.3	Y83 Q84 T89 V90 Q91 Y104 C107	Y83-R87 WeakPolarHBondContact O-CB 3.37Å; Y83-R87 VanDerWaalsContact O-CG 3.25Å; Y83-R87 WeakPolarHBondContact O-CG 3.33Å; Y83-R87 PolarHBondContact O-N 2.75Å; Y83-R87 VanDerWaalsContact O-N 3.12Å; Q84-R87 PolarHBondContact O-N 3.3Å; R87-T89 VanDerWaalsContact C-N 3.29Å; R87-T89 PolarHBondContact O-N 2.93Å; R87-V90 PolarHBondContact O-N 3.11Å; R87-Q91 WeakPolarHBondContact O-CB 3.4Å; R87-Q91 PolarHBondContact O-N 3.35Å; R87-Y104 HydrophobicContact CB-CD2 4.23Å; R87-Y104 WeakPolarHBondContact CG-O 3.38Å; R87-Y104 PolarHBondContact NH1-O 3.16Å; R87-Y104 WeakPolarHBondContact O-CB 3.28Å; R87-C107 PolarHBondContact NH1-O 2.94Å; R87-C107 PolarHBondContact NH2-O 3.25Å
88	D	98.4	Very high	97.4	Very high	68 Å²	68	51 Å²	51	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-39.7	177.1	-71.5	-13.7	0	0	0	111.7	Q84 Q91 Q92	Q84-D88 PolarHBondContact NE2-OD1 3.38Å; Q84-D88 PolarHBondContact NE2-OD2 3.1Å; Q84-D88 WeakPolarHBondContact O-CB 3.44Å; Q84-D88 VanDerWaalsContact O-CG 3.24Å; Q84-D88 PolarHBondContact O-N 3.2Å; D88-Q91 PolarHBondContact O-N 3.41Å; D88-Q92 VanDerWaalsContact O-CB 3.29Å; D88-Q92 WeakPolarHBondContact O-CB 3.4Å; D88-Q92 PolarHBondContact O-N 2.85Å
89	T	98.5	Very high	97.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-42.9	178.9	-60	0	0	0	0	111.5	M39 I40 A43 I85 V86 R87 Q92 I93 K375	M39-T89 HydrophobicContact CB-CG2 4.05Å; I40-T89 HydrophobicContact CG1-CG2 3.8Å; A43-T89 WeakPolarHBondContact CB-OG1 3.33Å; I85-T89 VanDerWaalsContact O-CB 3.31Å; I85-T89 WeakPolarHBondContact O-CB 3.31Å; I85-T89 PolarHBondContact O-N 2.76Å; I85-T89 PolarHBondContact O-OG1 2.75Å; V86-T89 PolarHBondContact O-N 3.25Å; R87-T89 VanDerWaalsContact C-N 3.29Å; R87-T89 PolarHBondContact O-N 2.93Å; T89-Q92 PolarHBondContact O-N 2.91Å; T89-I93 HydrophobicContact CG2-CD1 4.26Å; T89-I93 VanDerWaalsContact O-CG1 3.31Å; T89-I93 WeakPolarHBondContact O-CG1 3.4Å; T89-I93 PolarHBondContact O-N 3.46Å; T89-K375 PolarHBondContact OG1-NZ 3.21Å
90	V	98.3	Very high	97	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-42.1	174.9	176.6	0	0	0	0	111.2	M36 I40 L68 V86 R87 I93 G94 F95 F102	M36-V90 HydrophobicContact SD-CG2 4.26Å; I40-V90 HydrophobicContact CD1-CG2 4.02Å; L68-V90 HydrophobicContact CD1-CG2 3.64Å; V86-V90 VanDerWaalsContact O-CG2 3.28Å; V86-V90 WeakPolarHBondContact O-CG2 3.46Å; V86-V90 PolarHBondContact O-N 2.83Å; R87-V90 PolarHBondContact O-N 3.11Å; V90-I93 PolarHBondContact O-N 2.8Å; V90-G94 PolarHBondContact O-N 2.85Å; V90-F95 HydrophobicContact CG1-CB 3.71Å; V90-F95 PolarHBondContact O-N 2.7Å; V90-F102 HydrophobicContact CG1-CD1 3.75Å; V90-F102 HydrophobicContact CG1-CE1 3.96Å; V90-F102 HydrophobicContact CG2-CE1 4.39Å
91	Q	98.2	Very high	96.7	Very high	83 Å²	83	48.8 Å²	48.8	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-46.6	174.8	-172.9	-177.4	20.8	0	0	111.2	R87 D88 I93 G94 Y104	R87-Q91 WeakPolarHBondContact O-CB 3.4Å; R87-Q91 PolarHBondContact O-N 3.35Å; D88-Q91 PolarHBondContact O-N 3.41Å; Q91-I93 VanDerWaalsContact C-N 3.3Å; Q91-I93 PolarHBondContact O-N 3.06Å; Q91-G94 WeakPolarHBondContact O-CA 3.45Å; Q91-G94 PolarHBondContact O-N 2.83Å; Q91-Y104 HydrophobicContact CB-CD1 3.71Å; Q91-Y104 HydrophobicContact CB-CD2 4.16Å; Q91-Y104 HydrophobicContact CB-CE1 4.07Å; Q91-Y104 HydrophobicContact CB-CE2 4.46Å; Q91-Y104 HydrophobicContact CB-CG 3.79Å; Q91-Y104 HydrophobicContact CG-CD1 3.83Å; Q91-Y104 HydrophobicContact CG-CE1 3.68Å; Q91-Y104 HydrophobicContact CG-CE2 4.45Å; Q91-Y104 HydrophobicContact CG-CG 4.33Å; Q91-Y104 PolarHBondContact NE2-OH 3.01Å
92	Q	97.4	Very high	96.7	Very high	86 Å²	86	44.3 Å²	44.3	40%	0.402	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-35	-179.9	-172.4	-175.2	8.1	0	0	112.7	D88 T89 G94	D88-Q92 VanDerWaalsContact O-CB 3.29Å; D88-Q92 WeakPolarHBondContact O-CB 3.4Å; D88-Q92 PolarHBondContact O-N 2.85Å; T89-Q92 PolarHBondContact O-N 2.91Å; Q92-G94 PolarHBondContact O-N 2.94Å
93	I	97.7	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-34.1	173.3	-70.4	165.1	0	0	0	110.5	E30 M36 M39 T89 V90 Q91 F95 R171 P181	E30-I93 HydrophobicContact CB-CG1 4.33Å; E30-I93 HydrophobicContact CG-CG2 4.36Å; E30-I93 WeakPolarHBondContact O-CG2 3.46Å; M36-I93 HydrophobicContact CB-CD1 3.97Å; M36-I93 HydrophobicContact CG-CD1 3.77Å; M39-I93 HydrophobicContact CB-CD1 4.47Å; M39-I93 HydrophobicContact CE-CD1 4.14Å; M39-I93 HydrophobicContact CE-CG1 3.74Å; M39-I93 HydrophobicContact SD-CD1 4.04Å; M39-I93 HydrophobicContact SD-CG1 3.97Å; T89-I93 HydrophobicContact CG2-CD1 4.26Å; T89-I93 VanDerWaalsContact O-CG1 3.31Å; T89-I93 WeakPolarHBondContact O-CG1 3.4Å; T89-I93 PolarHBondContact O-N 3.46Å; V90-I93 PolarHBondContact O-N 2.8Å; Q91-I93 VanDerWaalsContact C-N 3.3Å; Q91-I93 PolarHBondContact O-N 3.06Å; I93-F95 HydrophobicContact CB-CD2 4.42Å; I93-F95 HydrophobicContact CG2-CD2 3.65Å; I93-F95 HydrophobicContact CG2-CE2 3.76Å; I93-R171 PolarHBondContact O-NH2 3.43Å; I93-P181 HydrophobicContact CG2-CB 4.21Å
94	G	97.4	Very high	96.6	Very high	8 Å²	8	39.4 Å²	39.4	8%	0.082	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.7	15.8	174.2	0	0	0	0	0	114.6	V90 Q91 Q92 D96 K100 P181	V90-G94 PolarHBondContact O-N 2.85Å; Q91-G94 WeakPolarHBondContact O-CA 3.45Å; Q91-G94 PolarHBondContact O-N 2.83Å; Q92-G94 PolarHBondContact O-N 2.94Å; G94-D96 PolarHBondContact O-N 2.54Å; G94-K100 WeakPolarHBondContact O-CD 3.48Å; G94-K100 PolarHBondContact O-NZ 3.36Å; G94-K100 VanDerWaalsContact O-NZ 3.12Å; G94-P181 WeakPolarHBondContact O-CG 3.22Å
95	F	97.5	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.			trans	-89.1	80.5	172.2	-72.6	-70.7	0	0	0	110.2	G31 M36 V90 I93 K100 F102 Y104 P181	G31-F95 WeakPolarHBondContact O-CZ 3.15Å; M36-F95 HydrophobicContact CE-CD2 3.13Å; M36-F95 HydrophobicContact CE-CE2 3.13Å; M36-F95 HydrophobicContact CE-CG 4.12Å; M36-F95 HydrophobicContact CE-CZ 4.13Å; V90-F95 HydrophobicContact CG1-CB 3.71Å; V90-F95 PolarHBondContact O-N 2.7Å; I93-F95 HydrophobicContact CB-CD2 4.42Å; I93-F95 HydrophobicContact CG2-CD2 3.65Å; I93-F95 HydrophobicContact CG2-CE2 3.76Å; F95-K100 HydrophobicContact CD1-CB 4.13Å; F95-K100 WeakPolarHBondContact CE1-O 3.29Å; F95-F102 HydrophobicContact CB-CB 4.12Å; F95-F102 HydrophobicContact CB-CD1 4.38Å; F95-F102 WeakPolarHBondContact CB-O 3.41Å; F95-F102 HydrophobicContact CD1-CB 3.61Å; F95-F102 HydrophobicContact CE1-CB 4.14Å; F95-F102 HydrophobicContact CG-CB 3.91Å; F95-Y104 WeakPolarHBondContact O-CD1 3.45Å; F95-Y104 PolarHBondContact O-N 2.79Å; F95-P181 HydrophobicContact CD1-CG 4.21Å; F95-P181 HydrophobicContact CD2-CB 4.23Å; F95-P181 HydrophobicContact CD2-CG 4.37Å; F95-P181 HydrophobicContact CE1-CB 4.2Å; F95-P181 HydrophobicContact CE1-CG 4.13Å; F95-P181 HydrophobicContact CE2-CB 3.77Å; F95-P181 HydrophobicContact CE2-CG 4.3Å; F95-P181 HydrophobicContact CG-CG 4.35Å; F95-P181 HydrophobicContact CZ-CB 3.75Å; F95-P181 HydrophobicContact CZ-CG 4.19Å
96	D	96	Very high	96.5	Very high	55 Å²	55	43.2 Å²	43.2	29%	0.294	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	2.6	-172.1	58.8	9.5	0	0	0	114.6	G94 K100 Y104 K105	G94-D96 PolarHBondContact O-N 2.54Å; D96-K100 WeakPolarHBondContact OD1-CD 3.27Å; D96-K100 WeakPolarHBondContact OD1-CE 3.38Å; D96-K100 IonicContact OD1-NZ 3.68Å; D96-K100 PolarHBondContact OD1-NZ 3.22Å; D96-K100 IonicContact OD2-NZ 2.74Å; D96-K100 PolarHBondContact OD2-NZ 3.32Å; D96-K100 VanDerWaalsContact OD2-NZ 3.1Å; D96-Y104 HydrophobicContact CB-CD1 4.08Å; D96-Y104 HydrophobicContact CB-CE1 3.84Å; D96-K105 PolarHBondContact O-NZ 3.46Å
97	D	94.3	Very high	96.4	Very high	72 Å²	72	43.3 Å²	43.3	39%	0.385	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	133.6	-177.6	-173.9	-73.9	0	0	0	109.7	S99 K100	D97-S99 PolarHBondContact O-N 2.94Å; D97-S99 WeakPolarHBondContact OD1-CA 3.48Å; D97-S99 WeakPolarHBondContact OD1-CB 3.38Å; D97-S99 PolarHBondContact OD1-N 2.8Å; D97-S99 PolarHBondContact OD1-OG 3.38Å; D97-K100 HydrophobicContact CB-CG 4.47Å; D97-K100 WeakPolarHBondContact O-CB 3.43Å; D97-K100 PolarHBondContact O-N 2.67Å
98	I	92	Very high	96.4	Very high	81 Å²	81	44.9 Å²	44.9	42%	0.415	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-57.8	-25.3	-177.1	-165.2	61.3	0	0	0	113.7	K100 G101	I98-K100 PolarHBondContact O-N 2.94Å; I98-G101 PolarHBondContact O-N 3.42Å
99	S	92.1	Very high	96.3	Very high	87 Å²	87	42 Å²	42	61%	0.608	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-64.1	-20.9	175.5	69	0	0	0	0	113.1	D97 G101	D97-S99 PolarHBondContact O-N 2.94Å; D97-S99 WeakPolarHBondContact OD1-CA 3.48Å; D97-S99 WeakPolarHBondContact OD1-CB 3.38Å; D97-S99 PolarHBondContact OD1-N 2.8Å; D97-S99 PolarHBondContact OD1-OG 3.38Å; S99-G101 PolarHBondContact O-N 3.09Å
100	K	94.7	Very high	96.3	Very high	40 Å²	40	44.8 Å²	44.8	17%	0.174	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-80.4	-5	174.6	-56.3	-175.5	174.4	175.2	0	112.9	G94 F95 D96 D97 I98 L180 Q211	G94-K100 WeakPolarHBondContact O-CD 3.48Å; G94-K100 PolarHBondContact O-NZ 3.36Å; G94-K100 VanDerWaalsContact O-NZ 3.12Å; F95-K100 HydrophobicContact CD1-CB 4.13Å; F95-K100 WeakPolarHBondContact CE1-O 3.29Å; D96-K100 WeakPolarHBondContact OD1-CD 3.27Å; D96-K100 WeakPolarHBondContact OD1-CE 3.38Å; D96-K100 IonicContact OD1-NZ 3.68Å; D96-K100 PolarHBondContact OD1-NZ 3.22Å; D96-K100 IonicContact OD2-NZ 2.74Å; D96-K100 PolarHBondContact OD2-NZ 3.32Å; D96-K100 VanDerWaalsContact OD2-NZ 3.1Å; D97-K100 HydrophobicContact CB-CG 4.47Å; D97-K100 WeakPolarHBondContact O-CB 3.43Å; D97-K100 PolarHBondContact O-N 2.67Å; I98-K100 PolarHBondContact O-N 2.94Å; K100-L180 HydrophobicContact CD-CD2 4.32Å; K100-L180 HydrophobicContact CG-CD2 3.98Å; K100-Q211 PolarHBondContact O-NE2 2.99Å
101	G	91.5	Very high	96.3	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	-6.8	-179.7	0	0	0	0	0	114.4	I98 S99 R259	I98-G101 PolarHBondContact O-N 3.42Å; S99-G101 PolarHBondContact O-N 3.09Å; G101-R259 WeakPolarHBondContact O-CB 3.5Å
102	F	96.4	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	152.5	175.7	-156.7	-104.9	0	0	0	109.1	M36 K64 L68 V90 F95 C107 P258	M36-F102 HydrophobicContact CE-CD1 4.44Å; M36-F102 HydrophobicContact SD-CE1 4.45Å; K64-F102 WeakPolarHBondContact O-CE2 3.37Å; L68-F102 HydrophobicContact CD1-CE1 3.86Å; L68-F102 HydrophobicContact CD1-CZ 3.98Å; L68-F102 HydrophobicContact CG-CE1 4.3Å; L68-F102 HydrophobicContact CG-CZ 3.94Å; V90-F102 HydrophobicContact CG1-CD1 3.75Å; V90-F102 HydrophobicContact CG1-CE1 3.96Å; V90-F102 HydrophobicContact CG2-CE1 4.39Å; F95-F102 HydrophobicContact CB-CB 4.12Å; F95-F102 HydrophobicContact CB-CD1 4.38Å; F95-F102 WeakPolarHBondContact CB-O 3.41Å; F95-F102 HydrophobicContact CD1-CB 3.61Å; F95-F102 HydrophobicContact CE1-CB 4.14Å; F95-F102 HydrophobicContact CG-CB 3.91Å; F102-C107 HydrophobicContact CE1-CB 3.62Å; F102-C107 HydrophobicContact CE2-CB 4.17Å; F102-C107 HydrophobicContact CZ-CB 3.41Å; F102-C107 VanDerWaalsContact CZ-CB 3.41Å; F102-P258 HydrophobicContact CB-CG 4.45Å; F102-P258 HydrophobicContact CD1-CG 4.42Å; F102-P258 HydrophobicContact CD2-CB 3.67Å; F102-P258 HydrophobicContact CD2-CG 3.8Å; F102-P258 HydrophobicContact CE2-CB 3.82Å; F102-P258 HydrophobicContact CE2-CG 4.06Å; F102-P258 HydrophobicContact CG-CB 4.34Å; F102-P258 HydrophobicContact CG-CG 3.98Å; F102-P258 HydrophobicContact CZ-CG 4.49Å
103	D	97.2	Very high	96.3	Very high	14 Å²	14	43.6 Å²	43.6	8%	0.075	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.6	-179.1	-174.8	-11.3	0	0	0	110.9	K105 T106 C107	D103-K105 PolarHBondContact O-N 2.67Å; D103-K105 VanDerWaalsContact O-N 3.16Å; D103-K105 WeakPolarHBondContact OD1-CB 3.49Å; D103-K105 WeakPolarHBondContact OD1-CG 3.41Å; D103-K105 PolarHBondContact OD1-N 3.21Å; D103-T106 PolarHBondContact O-N 3.48Å; D103-C107 WeakPolarHBondContact O-CB 3.32Å; D103-C107 PolarHBondContact O-N 2.8Å
104	Y	98.1	Very high	96.2	Very high	45 Å²	45	50.8 Å²	50.8	18%	0.176	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.3	177.5	80.1	-88.9	0	0	0	113.6	R87 Q91 F95 D96	R87-Y104 HydrophobicContact CB-CD2 4.23Å; R87-Y104 WeakPolarHBondContact CG-O 3.38Å; R87-Y104 PolarHBondContact NH1-O 3.16Å; R87-Y104 WeakPolarHBondContact O-CB 3.28Å; Q91-Y104 HydrophobicContact CB-CD1 3.71Å; Q91-Y104 HydrophobicContact CB-CD2 4.16Å; Q91-Y104 HydrophobicContact CB-CE1 4.07Å; Q91-Y104 HydrophobicContact CB-CE2 4.46Å; Q91-Y104 HydrophobicContact CB-CG 3.79Å; Q91-Y104 HydrophobicContact CG-CD1 3.83Å; Q91-Y104 HydrophobicContact CG-CE1 3.68Å; Q91-Y104 HydrophobicContact CG-CE2 4.45Å; Q91-Y104 HydrophobicContact CG-CG 4.33Å; Q91-Y104 PolarHBondContact NE2-OH 3.01Å; F95-Y104 WeakPolarHBondContact O-CD1 3.45Å; F95-Y104 PolarHBondContact O-N 2.79Å; D96-Y104 HydrophobicContact CB-CD1 4.08Å; D96-Y104 HydrophobicContact CB-CE1 3.84Å
105	K	97.4	Very high	96	Very high	117 Å²	117	57.7 Å²	57.7	51%	0.509	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-38	-178.9	-61.5	166.7	-170.2	139.7	0	112	D96 D103	D96-K105 PolarHBondContact O-NZ 3.46Å; D103-K105 PolarHBondContact O-N 2.67Å; D103-K105 VanDerWaalsContact O-N 3.16Å; D103-K105 WeakPolarHBondContact OD1-CB 3.49Å; D103-K105 WeakPolarHBondContact OD1-CG 3.41Å; D103-K105 PolarHBondContact OD1-N 3.21Å
106	T	96.1	Very high	95.6	Very high	89 Å²	89	58.8 Å²	58.8	55%	0.546	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-14.2	-169.2	63.1	0	0	0	0	113.6	D103 N108	D103-T106 PolarHBondContact O-N 3.48Å; T106-N108 PolarHBondContact O-N 3.47Å
107	C	96.6	Very high	95.2	Very high	2 Å²	2	58 Å²	58	1%	0.014	31%	0.31	C	S	.	.			trans	-61.5	139.3	178.1	68.5	0	0	0	0	111.7	R87 F102 D103	R87-C107 PolarHBondContact NH1-O 2.94Å; R87-C107 PolarHBondContact NH2-O 3.25Å; F102-C107 HydrophobicContact CE1-CB 3.62Å; F102-C107 HydrophobicContact CE2-CB 4.17Å; F102-C107 HydrophobicContact CZ-CB 3.41Å; F102-C107 VanDerWaalsContact CZ-CB 3.41Å; D103-C107 WeakPolarHBondContact O-CB 3.32Å; D103-C107 PolarHBondContact O-N 2.8Å
108	N	97.7	Very high	95	Very high	94 Å²	94	59 Å²	59	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.5	169.1	-170.1	20.2	0	0	0	109.6	D66 M67 L68 T106	D66-N108 WeakPolarHBondContact O-CB 3.21Å; D66-N108 PolarHBondContact O-N 3.41Å; M67-N108 WeakPolarHBondContact CA-O 3.45Å; L68-N108 PolarHBondContact N-O 3.08Å; T106-N108 PolarHBondContact O-N 3.47Å
109	V	98.3	Very high	94.7	Very high	6 Å²	6	62.1 Å²	62.1	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	115.2	176.8	-178.7	0	0	0	0	107.5	L68 Y83 V86 I111	L68-V109 CarbonylContact O-C 3.56Å; L68-V109 WeakPolarHBondContact O-CA 3.43Å; Y83-V109 HydrophobicContact CD1-CB 3.8Å; Y83-V109 HydrophobicContact CD1-CG1 4.01Å; Y83-V109 HydrophobicContact CE1-CB 3.94Å; Y83-V109 HydrophobicContact CE1-CG1 4.19Å; Y83-V109 WeakPolarHBondContact CE1-O 3.27Å; V86-V109 HydrophobicContact CB-CG1 4.42Å; V86-V109 HydrophobicContact CB-CG2 4.48Å; V86-V109 HydrophobicContact CG1-CG1 4.28Å; V86-V109 HydrophobicContact CG1-CG2 3.83Å; V86-V109 HydrophobicContact CG2-CG1 4.24Å; V109-I111 HydrophobicContact CG1-CG1 4.49Å
110	I	98.2	Very high	94.4	Very high	60 Å²	60	61 Å²	61	31%	0.308	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.7	178.7	-57.4	175.2	0	0	0	107.9	M67 L68 M69 L70	M67-I110 HydrophobicContact CG-CD1 3.96Å; M67-I110 HydrophobicContact CG-CG1 4.49Å; M67-I110 HydrophobicContact SD-CD1 3.71Å; L68-I110 PolarHBondContact O-N 3.12Å; M69-I110 CarbonylContact C-O 3.58Å; M69-I110 VanDerWaalsContact CA-O 3.32Å; M69-I110 WeakPolarHBondContact CA-O 3.44Å; M69-I110 HydrophobicContact CB-CB 4.24Å; M69-I110 HydrophobicContact CE-CG2 4.19Å; M69-I110 HydrophobicContact CG-CB 4.13Å; M69-I110 HydrophobicContact CG-CG2 4.16Å; L70-I110 PolarHBondContact N-O 3.45Å
111	I	98.1	Very high	94	Very high	58 Å²	58	59.6 Å²	59.6	30%	0.297	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.6	177.9	-56.9	175.6	0	0	0	108.5	Y82 Y83 V109 L113	Y82-I111 HydrophobicContact CD2-CD1 4.19Å; Y82-I111 HydrophobicContact CG-CD1 4.21Å; Y83-I111 HydrophobicContact CD2-CD1 4.01Å; Y83-I111 HydrophobicContact CE1-CD1 4.37Å; Y83-I111 HydrophobicContact CE2-CD1 3.51Å; V109-I111 HydrophobicContact CG1-CG1 4.49Å; I111-L113 HydrophobicContact CG2-CB 4.21Å; I111-L113 HydrophobicContact CG2-CD1 3.8Å; I111-L113 HydrophobicContact CG2-CG 3.91Å
112	A	97.9	Very high	93.7	Very high	46 Å²	46	62.2 Å²	62.2	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	55.6	177.2	0	0	0	0	0	109.6	M69 L70 C71	M69-A112 HydrophobicContact CE-CB 3.71Å; L70-A112 PolarHBondContact O-N 2.67Å; C71-A112 VanDerWaalsContact CA-O 3.29Å; C71-A112 WeakPolarHBondContact CA-O 3.26Å; C71-A112 HydrophobicContact CB-CB 4.26Å
113	L	97.2	Very high	93.2	Very high	39 Å²	39	63.7 Å²	63.7	20%	0.204	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.1	-178.7	-64.1	168.9	0	0	0	110.5	L70 G72 I74 Y82 I111	L70-L113 HydrophobicContact CB-CD1 4.38Å; L70-L113 HydrophobicContact CB-CD2 4.47Å; L70-L113 HydrophobicContact CB-CG 4.39Å; G72-L113 WeakPolarHBondContact O-CA 3.33Å; I74-L113 HydrophobicContact CD1-CD1 3.94Å; I74-L113 HydrophobicContact CD1-CD2 4.22Å; I74-L113 HydrophobicContact CG1-CD2 4.33Å; Y82-L113 HydrophobicContact CD1-CD1 4.07Å; Y82-L113 HydrophobicContact CE1-CD1 3.67Å; Y82-L113 HydrophobicContact CE2-CD1 4.3Å; I111-L113 HydrophobicContact CG2-CB 4.21Å; I111-L113 HydrophobicContact CG2-CD1 3.8Å; I111-L113 HydrophobicContact CG2-CG 3.91Å
114	E	96.1	Very high	92.6	Very high	151 Å²	151	63 Å²	63	71%	0.706	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	175.6	174.4	-65	-166.6	170.7	0	0	111.4	G72 E73 I74	G72-E114 PolarHBondContact O-N 2.88Å; E73-E114 CarbonylContact C-O 3.55Å; E73-E114 VanDerWaalsContact CA-O 3.25Å; E73-E114 WeakPolarHBondContact CA-O 3.44Å; I74-E114 PolarHBondContact N-O 3.04Å
115	Q	93.1	Very high	92.2	Very high	154 Å²	154	62.8 Å²	62.8	72%	0.72	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-80.9	152.6	171.7	-68.6	-174.4	-0.8	0	0	110.7	A117	Q115-A117 PolarHBondContact O-N 3.32Å
116	Q	88.7	Confident	91.6	Very high	22 Å²	22	61.2 Å²	61.2	10%	0.103	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-59	138.8	173.4	-172.3	-179.4	36	0	0	111	E73 T75 I120	E73-Q116 HydrophobicContact CB-CB 4.5Å; T75-Q116 WeakPolarHBondContact OG1-CB 3.47Å; T75-Q116 PolarHBondContact OG1-N 3.38Å; Q116-I120 HydrophobicContact CG-CB 4.41Å; Q116-I120 HydrophobicContact CG-CG2 4.5Å
117	A	88.4	Confident	91.2	Very high	39 Å²	39	65.3 Å²	65.3	32%	0.322	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-53.9	128.8	175.6	0	0	0	0	0	111.9	Q115 E119 I120 A121	Q115-A117 PolarHBondContact O-N 3.32Å; A117-E119 PolarHBondContact O-N 3.36Å; A117-I120 HydrophobicContact CB-CD1 4.02Å; A117-I120 HydrophobicContact CB-CG1 4.12Å; A117-I120 PolarHBondContact O-N 3.02Å; A117-I120 VanDerWaalsContact O-N 3.12Å; A117-A121 PolarHBondContact O-N 3.3Å
118	P	88.4	Confident	90.8	Very high	93 Å²	93	69.6 Å²	69.6	60%	0.604	38%	0.38	S	S	*	.	H	α-helix	trans	-56.8	-34	-178.4	-26.8	34.9	0	0	0	114.2	I120 A121 A122	P118-I120 VanDerWaalsContact C-N 3.34Å; P118-I120 PolarHBondContact O-N 2.95Å; P118-A121 PolarHBondContact O-N 3.36Å; P118-A122 WeakPolarHBondContact O-CB 3.43Å; P118-A122 PolarHBondContact O-N 3.27Å
119	E	87.1	Confident	90.5	Very high	146 Å²	146	71.8 Å²	71.8	68%	0.682	39%	0.385	S	S	*	.	H	α-helix	trans	-63.9	-39.4	179.3	-62.1	82.3	178.4	0	0	111.7	A117 G123	A117-E119 PolarHBondContact O-N 3.36Å; E119-G123 PolarHBondContact O-N 3.28Å
120	I	84.6	Confident	90	Very high	64 Å²	64	74.4 Å²	74.4	33%	0.328	40%	0.397	S	S	.	.	H	α-helix	trans	-67.1	-46.4	176.5	-60.1	176.4	0	0	0	109.3	Q116 A117 P118 A122 G123 V124	Q116-I120 HydrophobicContact CG-CB 4.41Å; Q116-I120 HydrophobicContact CG-CG2 4.5Å; A117-I120 HydrophobicContact CB-CD1 4.02Å; A117-I120 HydrophobicContact CB-CG1 4.12Å; A117-I120 PolarHBondContact O-N 3.02Å; A117-I120 VanDerWaalsContact O-N 3.12Å; P118-I120 VanDerWaalsContact C-N 3.34Å; P118-I120 PolarHBondContact O-N 2.95Å; I120-A122 VanDerWaalsContact C-N 3.32Å; I120-A122 PolarHBondContact O-N 3.29Å; I120-G123 PolarHBondContact O-N 2.88Å; I120-V124 HydrophobicContact CG2-CG2 4.03Å; I120-V124 VanDerWaalsContact O-CB 3.3Å; I120-V124 WeakPolarHBondContact O-CB 3.33Å; I120-V124 WeakPolarHBondContact O-CG2 3.42Å; I120-V124 PolarHBondContact O-N 3.07Å
121	A	86.2	Confident	89.6	Confident	11 Å²	11	74.8 Å²	74.8	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-59.1	-44.2	179.6	0	0	0	0	0	111.8	A117 P118 V124 H125 L126	A117-A121 PolarHBondContact O-N 3.3Å; P118-A121 PolarHBondContact O-N 3.36Å; A121-V124 PolarHBondContact O-N 2.92Å; A121-H125 PolarHBondContact O-N 3.13Å; A121-H125 VanDerWaalsContact O-N 3.09Å; A121-L126 HydrophobicContact CB-CD1 3.65Å; A121-L126 HydrophobicContact CB-CG 3.88Å; A121-L126 WeakPolarHBondContact O-CG 3.44Å; A121-L126 PolarHBondContact O-N 2.67Å
122	A	86.7	Confident	89.4	Confident	57 Å²	57	76.5 Å²	76.5	47%	0.471	41%	0.405	S	S	.	.	H	α-helix	trans	-63.2	-39.9	176.6	0	0	0	0	0	112.9	P118 I120	P118-A122 WeakPolarHBondContact O-CB 3.43Å; P118-A122 PolarHBondContact O-N 3.27Å; I120-A122 VanDerWaalsContact C-N 3.32Å; I120-A122 PolarHBondContact O-N 3.29Å
123	G	85.4	Confident	89.1	Confident	30 Å²	30	75.3 Å²	75.3	31%	0.309	39%	0.392	S	S	.	.	H	α-helix	trans	-73.7	-22.4	179.1	0	0	0	0	0	114.7	E119 I120 R128 G326	E119-G123 PolarHBondContact O-N 3.28Å; I120-G123 PolarHBondContact O-N 2.88Å; G123-R128 PolarHBondContact O-NH1 2.9Å; G123-R128 PolarHBondContact O-NH2 3.46Å; G123-G326 VanDerWaalsContact O-CA 3.26Å; G123-G326 WeakPolarHBondContact O-CA 3.1Å
124	V	85.5	Confident	88.8	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.006	38%	0.382	C	S	.	.	H	α-helix	trans	-109.6	-51.8	-167.2	174.2	0	0	0	0	112.8	I120 A121 I133 G134 I325	I120-V124 HydrophobicContact CG2-CG2 4.03Å; I120-V124 VanDerWaalsContact O-CB 3.3Å; I120-V124 WeakPolarHBondContact O-CB 3.33Å; I120-V124 WeakPolarHBondContact O-CG2 3.42Å; I120-V124 PolarHBondContact O-N 3.07Å; A121-V124 PolarHBondContact O-N 2.92Å; V124-I133 WeakPolarHBondContact O-CA 3.23Å; V124-G134 WeakPolarHBondContact CG1-O 3.4Å; V124-G134 PolarHBondContact O-N 2.84Å; V124-I325 HydrophobicContact CG2-CG1 4.45Å
125	H	88	Confident	88.5	Confident	40 Å²	40	66.3 Å²	66.3	19%	0.185	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	-21	-165.7	68	83.5	0	0	0	116.2	A121 N127 R128	A121-H125 PolarHBondContact O-N 3.13Å; A121-H125 VanDerWaalsContact O-N 3.09Å; H125-N127 PolarHBondContact O-N 3.36Å; H125-R128 PolarHBondContact O-N 3.3Å
126	L	85.3	Confident	88.1	Confident	84 Å²	84	59.5 Å²	59.5	44%	0.44	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	129.1	-178	-71.4	177.4	0	0	0	111	A121 R128	A121-L126 HydrophobicContact CB-CD1 3.65Å; A121-L126 HydrophobicContact CB-CG 3.88Å; A121-L126 WeakPolarHBondContact O-CG 3.44Å; A121-L126 PolarHBondContact O-N 2.67Å; L126-R128 WeakPolarHBondContact O-CG 3.44Å; L126-R128 PolarHBondContact O-N 3.42Å
127	N	88.2	Confident	88.2	Confident	175 Å²	175	62.4 Å²	62.4	94%	0.936	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	27.7	-179.8	-53.1	-44.4	0	0	0	114.7	H125	H125-N127 PolarHBondContact O-N 3.36Å
128	R	87.7	Confident	88.4	Confident	91 Å²	91	67.1 Å²	67.1	34%	0.343	35%	0.352	S	S	.	.			trans	-110.1	149.3	177.5	-58.8	-161	-177.8	-168.8	-0	112	G123 H125 L126 E132 G326	G123-R128 PolarHBondContact O-NH1 2.9Å; G123-R128 PolarHBondContact O-NH2 3.46Å; H125-R128 PolarHBondContact O-N 3.3Å; L126-R128 WeakPolarHBondContact O-CG 3.44Å; L126-R128 PolarHBondContact O-N 3.42Å; R128-E132 HydrophobicContact CB-CB 4.11Å; R128-E132 WeakPolarHBondContact CD-O 3.5Å; R128-E132 PolarHBondContact NH1-O 3.42Å; R128-G326 PolarHBondContact NH1-O 3.38Å; R128-G326 VanDerWaalsContact NH1-O 3.09Å
129	K	90.7	Very high	88.8	Confident	140 Å²	140	63.7 Å²	63.7	61%	0.609	33%	0.333	S	S	*	.			trans	-72.9	162.9	166.2	-63.8	175.7	-177.6	169.3	0	110.2	E131 E132 I133	K129-E131 VanDerWaalsContact C-N 3.26Å; K129-E131 PolarHBondContact O-N 3.08Å; K129-E132 HydrophobicContact CB-CG 4.3Å; K129-E132 PolarHBondContact N-OE2 2.96Å; K129-E132 CarbonylContact O-C 3.5Å; K129-E132 WeakPolarHBondContact O-CA 3.38Å; K129-E132 WeakPolarHBondContact O-CB 3.5Å; K129-E132 PolarHBondContact O-N 2.76Å; K129-I133 PolarHBondContact O-N 3.49Å
130	M	88	Confident	89.3	Confident	61 Å²	61	60.1 Å²	60.1	30%	0.3	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-54.9	-42.7	-179.2	-171.3	64.4	73.9	0	0	112	E132 I133 G361 I364 L370	M130-E132 PolarHBondContact O-N 3.13Å; M130-I133 PolarHBondContact O-N 2.74Å; M130-I133 HydrophobicContact SD-CD1 3.6Å; M130-G361 WeakPolarHBondContact CG-O 3.26Å; M130-G361 VanDerWaalsContact O-CA 3.29Å; M130-G361 WeakPolarHBondContact O-CA 3.22Å; M130-G361 VanDerWaalsContact SD-CA 3.54Å; M130-I364 HydrophobicContact SD-CB 4.49Å; M130-I364 HydrophobicContact SD-CG2 4.4Å; M130-L370 HydrophobicContact CE-CD1 4.4Å
131	E	91.5	Very high	89.9	Confident	68 Å²	68	57.3 Å²	57.3	32%	0.318	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-68.7	-16.6	179.1	-59.3	75.1	-163.3	0	0	113.6	K129 V362 R365	K129-E131 VanDerWaalsContact C-N 3.26Å; K129-E131 PolarHBondContact O-N 3.08Å; E131-V362 HydrophobicContact CG-CG2 4.22Å; E131-R365 IonicContact OE1-CZ 2.67Å; E131-R365 IonicContact OE1-NH1 3.48Å; E131-R365 PolarHBondContact OE1-NH1 3.01Å; E131-R365 IonicContact OE1-NH2 3.47Å
132	E	92.9	Very high	90.5	Very high	94 Å²	94	58.2 Å²	58.2	44%	0.439	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-104.1	-3.8	-177.1	-62.1	167.9	165.4	0	0	112.2	R128 K129 M130 G134	R128-E132 HydrophobicContact CB-CB 4.11Å; R128-E132 WeakPolarHBondContact CD-O 3.5Å; R128-E132 PolarHBondContact NH1-O 3.42Å; K129-E132 HydrophobicContact CB-CG 4.3Å; K129-E132 PolarHBondContact N-OE2 2.96Å; K129-E132 CarbonylContact O-C 3.5Å; K129-E132 WeakPolarHBondContact O-CA 3.38Å; K129-E132 WeakPolarHBondContact O-CB 3.5Å; K129-E132 PolarHBondContact O-N 2.76Å; M130-E132 PolarHBondContact O-N 3.13Å; E132-G134 PolarHBondContact O-N 2.86Å; E132-G134 VanDerWaalsContact O-N 3.09Å
133	I	91	Very high	91.1	Very high	22 Å²	22	55.5 Å²	55.5	11%	0.113	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-59.5	116.7	174.4	-66.7	-179.7	0	0	0	108.1	V124 K129 M130 A328	V124-I133 WeakPolarHBondContact O-CA 3.23Å; K129-I133 PolarHBondContact O-N 3.49Å; M130-I133 PolarHBondContact O-N 2.74Å; M130-I133 HydrophobicContact SD-CD1 3.6Å; I133-A328 WeakPolarHBondContact O-CB 3.39Å
134	G	91	Very high	91.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-73.1	163	175.7	0	0	0	0	0	111.4	V124 E132 G136	V124-G134 WeakPolarHBondContact CG1-O 3.4Å; V124-G134 PolarHBondContact O-N 2.84Å; E132-G134 PolarHBondContact O-N 2.86Å; E132-G134 VanDerWaalsContact O-N 3.09Å; G134-G136 PolarHBondContact O-N 2.87Å
135	A	90.9	Very high	92.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-60.4	134.3	169	0	0	0	0	0	110.6	D137 V293 Y323 I325 G326 I327 P360	A135-D137 WeakPolarHBondContact CB-O 3.2Å; A135-D137 PolarHBondContact O-N 3.29Å; A135-V293 HydrophobicContact CB-CB 4.41Å; A135-V293 HydrophobicContact CB-CG1 3.58Å; A135-V293 HydrophobicContact CB-CG2 3.95Å; A135-Y323 HydrophobicContact CB-CD1 4.16Å; A135-Y323 HydrophobicContact CB-CG 4.04Å; A135-I325 WeakPolarHBondContact O-CA 3.19Å; A135-G326 PolarHBondContact O-N 2.94Å; A135-I327 PolarHBondContact N-O 2.88Å; A135-P360 HydrophobicContact CB-CG 4.38Å
136	G	84.8	Confident	92.9	Very high	11 Å²	11	52.1 Å²	52.1	11%	0.113	26%	0.259	C	S	.	.	S	Bend	trans	-64.3	-20	179	0	0	0	0	0	114.6	G134 S291	G134-G136 PolarHBondContact O-N 2.87Å; G136-S291 PolarHBondContact N-O 3.25Å
137	D	90.2	Very high	93.5	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.444	25%	0.246	S	C	.	.	S	Bend	trans	-155.1	169.3	174.8	-160.9	-1.8	0	0	0	108.8	A135	A135-D137 WeakPolarHBondContact CB-O 3.2Å; A135-D137 PolarHBondContact O-N 3.29Å
138	Q	92.9	Very high	93.9	Very high	139 Å²	139	42.6 Å²	42.6	65%	0.65	21%	0.208	S	C	*	.			trans	-68.4	157.7	161.7	67.2	176	24.6	0	0	110.5	Y323	Q138-Y323 WeakPolarHBondContact CA-O 3.34Å
139	G	95.7	Very high	94.4	Very high	21 Å²	21	38.9 Å²	38.9	22%	0.216	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	177.7	167.1	0	0	0	0	0	113.4	M141 S322 Y323	G139-M141 VanDerWaalsContact C-CE 3.42Å; G139-S322 CarbonylContact O-C 3.58Å; G139-S322 WeakPolarHBondContact O-CA 3.4Å; G139-S322 WeakPolarHBondContact O-CB 3.13Å; G139-Y323 PolarHBondContact N-O 2.85Å; G139-Y323 VanDerWaalsContact N-O 3.08Å; G139-Y323 PolarHBondContact O-N 3.03Å
140	L	97.3	Very high	94.7	Very high	71 Å²	71	40.5 Å²	40.5	37%	0.372	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.9	175.9	60.2	108.7	0	0	0	108.5	F142 G281 V321	L140-F142 HydrophobicContact CD1-CD2 4.27Å; L140-F142 HydrophobicContact CD1-CE2 3.41Å; L140-F142 VanDerWaalsContact CD1-CE2 3.41Å; L140-F142 HydrophobicContact CD1-CZ 4.03Å; L140-G281 WeakPolarHBondContact O-CA 3.42Å; L140-V321 CarbonylContact C-O 3.58Å; L140-V321 WeakPolarHBondContact CA-O 3Å
141	M	98.7	Very high	95.1	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.025	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.1	-174	-58.7	80.5	-150.5	0	0	109.4	G139 V293 D294 A297 A298 Q320 V321 Y323	G139-M141 VanDerWaalsContact C-CE 3.42Å; M141-V293 HydrophobicContact CE-CB 4.34Å; M141-V293 HydrophobicContact CE-CG2 3.81Å; M141-V293 HydrophobicContact SD-CB 4.46Å; M141-V293 HydrophobicContact SD-CG2 4.44Å; M141-D294 WeakPolarHBondContact CE-OD1 3.45Å; M141-A297 HydrophobicContact CB-CB 4.43Å; M141-A297 HydrophobicContact CG-CB 4.12Å; M141-A297 HydrophobicContact SD-CB 4.03Å; M141-A298 HydrophobicContact CB-CB 4.21Å; M141-A298 HydrophobicContact CG-CB 4.43Å; M141-Q320 WeakPolarHBondContact O-CA 3.48Å; M141-V321 HydrophobicContact CB-CG2 3.91Å; M141-V321 PolarHBondContact N-O 3.12Å; M141-V321 PolarHBondContact O-N 2.88Å; M141-Y323 HydrophobicContact SD-CD2 4.02Å; M141-Y323 HydrophobicContact SD-CE2 4.29Å
142	F	98.9	Very high	95.5	Very high	29 Å²	29	38.8 Å²	38.8	13%	0.127	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.2	-179.3	-67.4	-85.7	0	0	0	112.3	L140 Y274 A279 H280 L318 I319 Q320	L140-F142 HydrophobicContact CD1-CD2 4.27Å; L140-F142 HydrophobicContact CD1-CE2 3.41Å; L140-F142 VanDerWaalsContact CD1-CE2 3.41Å; L140-F142 HydrophobicContact CD1-CZ 4.03Å; F142-Y274 PolarHBondContact O-OH 3.37Å; F142-A279 HydrophobicContact CB-CB 4.39Å; F142-A279 WeakPolarHBondContact CB-O 3.36Å; F142-A279 HydrophobicContact CD1-CB 3.64Å; F142-A279 HydrophobicContact CD2-CB 3.79Å; F142-A279 HydrophobicContact CE1-CB 3.66Å; F142-A279 HydrophobicContact CE2-CB 3.8Å; F142-A279 HydrophobicContact CG-CB 3.68Å; F142-A279 HydrophobicContact CZ-CB 3.74Å; F142-H280 VanDerWaalsContact CD2-C 3.44Å; F142-L318 HydrophobicContact CB-CD1 4.02Å; F142-L318 HydrophobicContact CD1-CD1 3.78Å; F142-L318 HydrophobicContact CD1-CD2 4.03Å; F142-L318 HydrophobicContact CD1-CG 3.97Å; F142-L318 HydrophobicContact CE1-CD2 4.2Å; F142-L318 HydrophobicContact CG-CD1 4.29Å; F142-I319 CarbonylContact C-O 3.42Å; F142-I319 VanDerWaalsContact CA-O 3.23Å; F142-I319 WeakPolarHBondContact CA-O 3.2Å; F142-Q320 HydrophobicContact CD1-CB 3.85Å; F142-Q320 HydrophobicContact CD1-CG 4.02Å; F142-Q320 HydrophobicContact CE1-CB 3.66Å; F142-Q320 HydrophobicContact CE1-CG 3.55Å; F142-Q320 HydrophobicContact CZ-CG 3.93Å
143	G	98.9	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.9	170.1	0	0	0	0	0	110.1	Y274 A301 L318 I319	G143-Y274 VanDerWaalsContact CA-OH 3.31Å; G143-Y274 WeakPolarHBondContact CA-OH 3.44Å; G143-A301 VanDerWaalsContact CA-C 3.4Å; G143-L318 CarbonylContact O-C 3.5Å; G143-L318 WeakPolarHBondContact O-CA 3.46Å; G143-I319 PolarHBondContact N-O 2.78Å; G143-I319 PolarHBondContact O-N 3.06Å
144	Y	98.9	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.9	177.8	179.7	-98.2	0	0	0	111.4	T146 P154 Y274 W277 R302 R316 C317 L318 Y338	Y144-T146 HydrophobicContact CE1-CG2 3.78Å; Y144-P154 HydrophobicContact CD1-CG 4.2Å; Y144-P154 HydrophobicContact CE1-CG 3.84Å; Y144-Y274 HydrophobicContact CD1-CD1 4.13Å; Y144-Y274 HydrophobicContact CD1-CG 4.29Å; Y144-Y274 HydrophobicContact CG-CD1 4.5Å; Y144-Y274 HydrophobicContact CG-CG 4.47Å; Y144-Y274 PolarHBondContact N-OH 3.11Å; Y144-Y274 WeakPolarHBondContact O-CE1 3.15Å; Y144-W277 HydrophobicContact CE1-CB 4.13Å; Y144-R302 WeakPolarHBondContact O-CD 3.33Å; Y144-R302 PolarHBondContact O-NH1 2.85Å; Y144-R316 HydrophobicContact CE2-CG 3.78Å; Y144-R316 WeakPolarHBondContact OH-CD 3.37Å; Y144-R316 WeakPolarHBondContact OH-CG 3.21Å; Y144-R316 PolarHBondContact OH-NE 2.95Å; Y144-C317 WeakPolarHBondContact CA-O 3.4Å; Y144-C317 WeakPolarHBondContact CD2-O 3.34Å; Y144-L318 HydrophobicContact CD2-CB 4.36Å; Y144-L318 HydrophobicContact CD2-CD1 4.35Å; Y144-Y338 HydrophobicContact CE2-CE2 4.03Å
145	A	98.8	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151.5	171.6	0	0	0	0	0	110.5	R152 A305 K306 V309 R316 C317	A145-R152 HydrophobicContact CB-CB 4.25Å; A145-A305 VanDerWaalsContact CB-C 3.46Å; A145-A305 HydrophobicContact CB-CB 3.89Å; A145-A305 WeakPolarHBondContact CB-O 3.21Å; A145-K306 HydrophobicContact CB-CB 4.45Å; A145-V309 HydrophobicContact CB-CB 4.25Å; A145-V309 HydrophobicContact CB-CG2 3.68Å; A145-R316 CarbonylContact O-C 3.51Å; A145-R316 WeakPolarHBondContact O-CA 3.29Å; A145-C317 PolarHBondContact N-O 3.39Å; A145-C317 VanDerWaalsContact N-O 3.08Å; A145-C317 PolarHBondContact O-N 2.99Å
146	T	98.6	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	149	-177.6	-178.6	0	0	0	0	109.1	Y144 E148 R152 M153 K315	Y144-T146 HydrophobicContact CE1-CG2 3.78Å; T146-E148 WeakPolarHBondContact CB-OE1 3.31Å; T146-E148 HydrophobicContact CG2-CB 4.06Å; T146-E148 HydrophobicContact CG2-CG 4.11Å; T146-E148 VanDerWaalsContact CG2-OE1 3.23Å; T146-E148 WeakPolarHBondContact CG2-OE1 3.44Å; T146-E148 PolarHBondContact O-N 3.48Å; T146-E148 WeakPolarHBondContact OG1-CG 3.38Å; T146-E148 PolarHBondContact OG1-OE1 3.41Å; T146-R152 PolarHBondContact N-O 3.49Å; T146-R152 CarbonylContact O-C 3.34Å; T146-R152 WeakPolarHBondContact O-CA 3.48Å; T146-M153 VanDerWaalsContact CG2-C 3.41Å; T146-M153 WeakPolarHBondContact CG2-O 3.29Å; T146-K315 CarbonylContact C-O 3.45Å; T146-K315 WeakPolarHBondContact CA-O 3.45Å
147	D	97.4	Very high	97.5	Very high	32 Å²	32	33.6 Å²	33.6	17%	0.171	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	10.3	180	74.1	-21.2	0	0	0	114.1	T149 R197 V309 K315	D147-T149 PolarHBondContact O-N 3.11Å; D147-R197 IonicContact OD1-NE 3.18Å; D147-R197 IonicContact OD1-NH2 2.68Å; D147-R197 IonicContact OD2-CZ 3.74Å; D147-R197 VanDerWaalsContact OD2-CZ 3.26Å; D147-R197 IonicContact OD2-NE 3.66Å; D147-R197 PolarHBondContact OD2-NE 3.2Å; D147-R197 IonicContact OD2-NH2 3.26Å; D147-R197 PolarHBondContact OD2-NH2 3.5Å; D147-V309 HydrophobicContact CB-CG1 4.15Å; D147-K315 HydrophobicContact CB-CB 4.42Å; D147-K315 HydrophobicContact CB-CD 4.39Å; D147-K315 PolarHBondContact N-O 3.36Å; D147-K315 WeakPolarHBondContact OD2-CD 3.39Å; D147-K315 VanDerWaalsContact OD2-CE 3.31Å; D147-K315 WeakPolarHBondContact OD2-CE 3.2Å; D147-K315 WeakPolarHBondContact OD2-CG 3.43Å
148	E	97.5	Very high	97.9	Very high	27 Å²	27	30.4 Å²	30.4	13%	0.126	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.7	176.2	-71.3	168	-114.5	0	0	114	T146 L155 Y191 C198 P200	T146-E148 WeakPolarHBondContact CB-OE1 3.31Å; T146-E148 HydrophobicContact CG2-CB 4.06Å; T146-E148 HydrophobicContact CG2-CG 4.11Å; T146-E148 VanDerWaalsContact CG2-OE1 3.23Å; T146-E148 WeakPolarHBondContact CG2-OE1 3.44Å; T146-E148 PolarHBondContact O-N 3.48Å; T146-E148 WeakPolarHBondContact OG1-CG 3.38Å; T146-E148 PolarHBondContact OG1-OE1 3.41Å; E148-L155 PolarHBondContact OE2-N 2.74Å; E148-Y191 VanDerWaalsContact OE2-CE1 3.27Å; E148-Y191 WeakPolarHBondContact OE2-CE1 3.46Å; E148-C198 HydrophobicContact CG-CB 4.3Å; E148-C198 WeakPolarHBondContact CG-O 3.49Å; E148-P200 HydrophobicContact CB-CG 4.27Å; E148-P200 HydrophobicContact CG-CG 4.18Å
149	T	97.8	Very high	98.2	Very high	14 Å²	14	24 Å²	24	9%	0.086	12%	0.121	C	C	.	.	S	Bend	trans	-140.6	160.7	-174.6	63.5	0	0	0	0	111.2	D147 E151 R152 M153 L155 L158	D147-T149 PolarHBondContact O-N 3.11Å; T149-E151 PolarHBondContact O-N 3.18Å; T149-R152 PolarHBondContact O-N 2.87Å; T149-R152 VanDerWaalsContact O-N 3.11Å; T149-R152 PolarHBondContact O-NH1 2.99Å; T149-R152 PolarHBondContact OG1-N 2.98Å; T149-M153 VanDerWaalsContact CG2-O 3.26Å; T149-M153 WeakPolarHBondContact CG2-O 3.28Å; T149-M153 PolarHBondContact OG1-N 2.85Å; T149-M153 PolarHBondContact OG1-O 2.89Å; T149-L155 HydrophobicContact CG2-CB 4.04Å; T149-L155 HydrophobicContact CG2-CD1 3.79Å; T149-L158 HydrophobicContact CG2-CD2 3.58Å
150	E	96.5	Very high	98.3	Very high	174 Å²	174	23 Å²	23	81%	0.813	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.5	175.9	-66.8	-174.9	175.6	0	0	111.7	R152	E150-R152 PolarHBondContact O-N 3.45Å; E150-R152 PolarHBondContact O-NH1 3.42Å
151	E	97.9	Very high	98.4	Very high	46 Å²	46	20.1 Å²	20.1	22%	0.215	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.1	178.8	-57.9	92.7	147.8	0	0	113.6	T149 M153 L158 K162 R302 G384	T149-E151 PolarHBondContact O-N 3.18Å; E151-M153 VanDerWaalsContact C-N 3.25Å; E151-M153 HydrophobicContact CB-CB 4.44Å; E151-M153 HydrophobicContact CB-CG 4.16Å; E151-M153 PolarHBondContact O-N 2.81Å; E151-L158 HydrophobicContact CG-CD1 4.44Å; E151-L158 VanDerWaalsContact OE2-CD2 3.26Å; E151-L158 WeakPolarHBondContact OE2-CD2 3.46Å; E151-K162 WeakPolarHBondContact OE1-CE 3.42Å; E151-K162 IonicContact OE1-NZ 2.69Å; E151-K162 PolarHBondContact OE1-NZ 2.95Å; E151-R302 PolarHBondContact O-NH2 3.38Å; E151-G384 WeakPolarHBondContact CG-O 3.36Å
152	R	98.6	Very high	98.4	Very high	47 Å²	47	23.6 Å²	23.6	18%	0.177	11%	0.11	C	C	.	.	S	Bend	trans	58.7	34.1	-172.8	-51.3	-58	-179.7	-109.5	-12.6	114.3	A145 T146 T149 E150 R302 K306 V309 D310	A145-R152 HydrophobicContact CB-CB 4.25Å; T146-R152 PolarHBondContact N-O 3.49Å; T146-R152 CarbonylContact O-C 3.34Å; T146-R152 WeakPolarHBondContact O-CA 3.48Å; T149-R152 PolarHBondContact O-N 2.87Å; T149-R152 VanDerWaalsContact O-N 3.11Å; T149-R152 PolarHBondContact O-NH1 2.99Å; T149-R152 PolarHBondContact OG1-N 2.98Å; E150-R152 PolarHBondContact O-N 3.45Å; E150-R152 PolarHBondContact O-NH1 3.42Å; R152-R302 PolarHBondContact O-NH1 2.88Å; R152-K306 HydrophobicContact CB-CG 4.07Å; R152-K306 HydrophobicContact CG-CG 3.99Å; R152-V309 HydrophobicContact CG-CG1 4.5Å; R152-D310 IonicContact CZ-OD1 2.76Å; R152-D310 IonicContact NE-OD1 3.89Å; R152-D310 PolarHBondContact NE-OD1 3.25Å; R152-D310 IonicContact NH2-OD1 3.37Å; R152-D310 PolarHBondContact NH2-OD1 3.29Å
153	M	98.6	Very high	98.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	10%	0.103	C	C	.	.	S	Bend	trans	-111.3	152	-179.1	-72.1	-64.5	-75.3	0	0	111.1	T146 T149 E151 L155 L157 L158 T273 Y274 F383	T146-M153 VanDerWaalsContact CG2-C 3.41Å; T146-M153 WeakPolarHBondContact CG2-O 3.29Å; T149-M153 VanDerWaalsContact CG2-O 3.26Å; T149-M153 WeakPolarHBondContact CG2-O 3.28Å; T149-M153 PolarHBondContact OG1-N 2.85Å; T149-M153 PolarHBondContact OG1-O 2.89Å; E151-M153 VanDerWaalsContact C-N 3.25Å; E151-M153 HydrophobicContact CB-CB 4.44Å; E151-M153 HydrophobicContact CB-CG 4.16Å; E151-M153 PolarHBondContact O-N 2.81Å; M153-L155 PolarHBondContact O-N 3.27Å; M153-L157 HydrophobicContact CE-CD2 3.92Å; M153-L158 HydrophobicContact CB-CB 4.42Å; M153-T273 WeakPolarHBondContact CE-O 3.47Å; M153-Y274 HydrophobicContact CE-CD1 4.38Å; M153-Y274 HydrophobicContact SD-CD1 4.38Å; M153-F383 HydrophobicContact CE-CB 3.86Å; M153-F383 HydrophobicContact SD-CB 3.7Å
154	P	98.7	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.			trans	-61	133	170	-4.5	11.9	0	0	0	110.9	Y144 S156 L157 L158 W277	Y144-P154 HydrophobicContact CD1-CG 4.2Å; Y144-P154 HydrophobicContact CE1-CG 3.84Å; P154-S156 VanDerWaalsContact C-N 3.31Å; P154-S156 PolarHBondContact O-N 2.83Å; P154-L157 PolarHBondContact O-N 2.82Å; P154-L158 PolarHBondContact O-N 2.77Å; P154-L158 VanDerWaalsContact O-N 3.13Å; P154-W277 HydrophobicContact CB-CB 4.12Å; P154-W277 HydrophobicContact CB-CD2 4.22Å; P154-W277 HydrophobicContact CB-CG 3.58Å; P154-W277 HydrophobicContact CG-CB 3.64Å; P154-W277 HydrophobicContact CG-CG 3.69Å
155	L	98.6	Very high	98.3	Very high	16 Å²	16	24 Å²	24	8%	0.084	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-38.5	-171.8	-179.7	69.2	0	0	0	112.5	E148 T149 M153 L157 L158 L159 V189 P200 L238	E148-L155 PolarHBondContact OE2-N 2.74Å; T149-L155 HydrophobicContact CG2-CB 4.04Å; T149-L155 HydrophobicContact CG2-CD1 3.79Å; M153-L155 PolarHBondContact O-N 3.27Å; L155-L157 PolarHBondContact O-N 2.89Å; L155-L158 PolarHBondContact O-N 3.47Å; L155-L159 HydrophobicContact CD1-CD1 4.05Å; L155-L159 HydrophobicContact CD1-CD2 4.34Å; L155-L159 HydrophobicContact CD1-CG 3.9Å; L155-L159 HydrophobicContact CD2-CD1 4.35Å; L155-L159 HydrophobicContact CG-CD1 3.91Å; L155-L159 HydrophobicContact CG-CG 4.15Å; L155-L159 WeakPolarHBondContact O-CB 3.36Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.43Å; L155-V189 HydrophobicContact CD2-CG1 4.46Å; L155-P200 HydrophobicContact CB-CG 4.08Å; L155-P200 HydrophobicContact CD2-CB 3.44Å; L155-P200 VanDerWaalsContact CD2-CB 3.44Å; L155-P200 HydrophobicContact CD2-CG 3.7Å; L155-L238 HydrophobicContact CD2-CD1 3.78Å
156	S	98.7	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-44.2	-178.1	52.8	0	0	0	0	112.6	S25 P154 A160 Y191 W277	S25-S156 WeakPolarHBondContact OG-CB 3.31Å; S25-S156 PolarHBondContact OG-OG 3.47Å; P154-S156 VanDerWaalsContact C-N 3.31Å; P154-S156 PolarHBondContact O-N 2.83Å; S156-A160 PolarHBondContact O-N 3.22Å; S156-Y191 PolarHBondContact N-OH 3.17Å; S156-Y191 VanDerWaalsContact N-OH 3.13Å; S156-Y191 PolarHBondContact OG-OH 3.39Å; S156-W277 PolarHBondContact OG-NE1 2.9Å
157	L	98.8	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-71.8	-44.6	176.8	179.5	66.2	0	0	0	111	E26 M153 P154 L155 L159 A160 H161 T273 Y274	E26-L157 WeakPolarHBondContact O-CD1 3.3Å; M153-L157 HydrophobicContact CE-CD2 3.92Å; P154-L157 PolarHBondContact O-N 2.82Å; L155-L157 PolarHBondContact O-N 2.89Å; L157-L159 VanDerWaalsContact C-N 3.29Å; L157-L159 PolarHBondContact O-N 3.36Å; L157-A160 WeakPolarHBondContact O-CB 3.44Å; L157-A160 PolarHBondContact O-N 3.34Å; L157-H161 WeakPolarHBondContact CD1-NE2 3.42Å; L157-H161 WeakPolarHBondContact CG-NE2 3.33Å; L157-H161 PolarHBondContact O-N 2.97Å; L157-T273 WeakPolarHBondContact CD2-O 3.26Å; L157-Y274 VanDerWaalsContact CD2-C 3.49Å
158	L	98.6	Very high	98.4	Very high	16 Å²	16	25.3 Å²	25.3	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-57.5	-43.8	-178	-175.8	67.4	0	0	0	111.4	T149 E151 M153 P154 L155 H161 K162	T149-L158 HydrophobicContact CG2-CD2 3.58Å; E151-L158 HydrophobicContact CG-CD1 4.44Å; E151-L158 VanDerWaalsContact OE2-CD2 3.26Å; E151-L158 WeakPolarHBondContact OE2-CD2 3.46Å; M153-L158 HydrophobicContact CB-CB 4.42Å; P154-L158 PolarHBondContact O-N 2.77Å; P154-L158 VanDerWaalsContact O-N 3.13Å; L155-L158 PolarHBondContact O-N 3.47Å; L158-H161 PolarHBondContact O-N 2.96Å; L158-K162 HydrophobicContact CD1-CD 4.43Å; L158-K162 HydrophobicContact CG-CD 4.16Å; L158-K162 WeakPolarHBondContact O-CB 3.44Å; L158-K162 WeakPolarHBondContact O-CG 3.3Å; L158-K162 PolarHBondContact O-N 3.35Å
159	L	98.7	Very high	98.4	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-43.2	174.6	-69.5	178.9	0	0	0	111.8	L155 L157 H161 K162 L163 V187 V203 I233 V234	L155-L159 HydrophobicContact CD1-CD1 4.05Å; L155-L159 HydrophobicContact CD1-CD2 4.34Å; L155-L159 HydrophobicContact CD1-CG 3.9Å; L155-L159 HydrophobicContact CD2-CD1 4.35Å; L155-L159 HydrophobicContact CG-CD1 3.91Å; L155-L159 HydrophobicContact CG-CG 4.15Å; L155-L159 WeakPolarHBondContact O-CB 3.36Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.43Å; L157-L159 VanDerWaalsContact C-N 3.29Å; L157-L159 PolarHBondContact O-N 3.36Å; L159-H161 VanDerWaalsContact C-N 3.33Å; L159-H161 PolarHBondContact O-N 2.93Å; L159-K162 PolarHBondContact O-N 3.27Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.22Å; L159-L163 WeakPolarHBondContact O-CG 3.36Å; L159-L163 PolarHBondContact O-N 3.48Å; L159-V187 HydrophobicContact CB-CG1 4.24Å; L159-V187 HydrophobicContact CB-CG2 4.11Å; L159-V187 HydrophobicContact CD1-CG1 4.21Å; L159-V203 HydrophobicContact CD1-CG2 3.78Å; L159-I233 HydrophobicContact CD2-CG2 4.47Å; L159-V234 HydrophobicContact CD2-CG2 4.47Å
160	A	98.8	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.5	-45.3	177.3	0	0	0	0	0	111.7	S156 L157 S185 V187	S156-A160 PolarHBondContact O-N 3.22Å; L157-A160 WeakPolarHBondContact O-CB 3.44Å; L157-A160 PolarHBondContact O-N 3.34Å; A160-S185 VanDerWaalsContact C-OG 3.31Å; A160-S185 WeakPolarHBondContact CA-OG 3.37Å; A160-S185 PolarHBondContact O-OG 2.81Å; A160-V187 HydrophobicContact CB-CG2 4.06Å
161	H	98.7	Very high	98.5	Very high	10 Å²	10	21.1 Å²	21.1	5%	0.046	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-51.2	173.4	-74.2	-29.1	0	0	0	113	S27 L157 L158 L159 L163 L164 A165 V271 N380	S27-H161 WeakPolarHBondContact CB-ND1 3.26Å; S27-H161 PolarHBondContact OG-CE1 2.98Å; S27-H161 PolarHBondContact OG-ND1 3.35Å; L157-H161 WeakPolarHBondContact CD1-NE2 3.42Å; L157-H161 WeakPolarHBondContact CG-NE2 3.33Å; L157-H161 PolarHBondContact O-N 2.97Å; L158-H161 PolarHBondContact O-N 2.96Å; L159-H161 VanDerWaalsContact C-N 3.33Å; L159-H161 PolarHBondContact O-N 2.93Å; H161-L163 VanDerWaalsContact C-N 3.31Å; H161-L163 PolarHBondContact O-N 3.32Å; H161-L164 PolarHBondContact O-N 2.92Å; H161-A165 PolarHBondContact O-N 3.04Å; H161-V271 PolarHBondContact CE1-O 3.43Å; H161-V271 PolarHBondContact NE2-O 2.94Å; H161-N380 HydrophobicContact CB-CB 4.12Å; H161-N380 PolarHBondContact CD2-O 3.19Å
162	K	98.5	Very high	98.5	Very high	77 Å²	77	24.2 Å²	24.2	34%	0.335	11%	0.109	S	C	.	.	H	α-helix	trans	-63	-35.9	-176.2	-74.6	-179.3	176.2	179	0	112.5	E151 L158 L159 L164 A165 R166 I233	E151-K162 WeakPolarHBondContact OE1-CE 3.42Å; E151-K162 IonicContact OE1-NZ 2.69Å; E151-K162 PolarHBondContact OE1-NZ 2.95Å; L158-K162 HydrophobicContact CD1-CD 4.43Å; L158-K162 HydrophobicContact CG-CD 4.16Å; L158-K162 WeakPolarHBondContact O-CB 3.44Å; L158-K162 WeakPolarHBondContact O-CG 3.3Å; L158-K162 PolarHBondContact O-N 3.35Å; L159-K162 PolarHBondContact O-N 3.27Å; K162-L164 PolarHBondContact O-N 2.96Å; K162-A165 PolarHBondContact O-N 3.4Å; K162-R166 WeakPolarHBondContact O-CB 3.49Å; K162-R166 PolarHBondContact O-N 3.32Å; K162-I233 HydrophobicContact CB-CD1 4.48Å; K162-I233 HydrophobicContact CB-CG2 3.47Å; K162-I233 VanDerWaalsContact CB-CG2 3.47Å
163	L	98.8	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-44.5	175.4	-72.9	168.3	0	0	0	111.7	L159 H161 L167 V187 I206 I208 V229 I230 I233 V234	L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.22Å; L159-L163 WeakPolarHBondContact O-CG 3.36Å; L159-L163 PolarHBondContact O-N 3.48Å; H161-L163 VanDerWaalsContact C-N 3.31Å; H161-L163 PolarHBondContact O-N 3.32Å; L163-L167 WeakPolarHBondContact O-CB 3.38Å; L163-L167 PolarHBondContact O-N 2.94Å; L163-V187 HydrophobicContact CD1-CG2 3.69Å; L163-I206 HydrophobicContact CD1-CG2 3.98Å; L163-I208 HydrophobicContact CD2-CD1 4.39Å; L163-V229 HydrophobicContact CB-CG1 4.34Å; L163-V229 HydrophobicContact CD2-CG1 3.95Å; L163-V229 WeakPolarHBondContact O-CG1 3.21Å; L163-I230 HydrophobicContact CD2-CB 4.45Å; L163-I230 HydrophobicContact CD2-CG1 3.89Å; L163-I233 HydrophobicContact CD2-CB 4.06Å; L163-I233 HydrophobicContact CD2-CG2 4.1Å; L163-I233 HydrophobicContact CG-CG2 4.19Å; L163-V234 HydrophobicContact CD2-CG2 4.23Å
164	L	98.5	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-74.6	-37.6	178.9	-65.1	-174.7	0	0	0	112.8	S27 V28 H161 K162 R166 L167 H168 S185	S27-L164 VanDerWaalsContact C-CD1 3.49Å; S27-L164 WeakPolarHBondContact O-CD1 3.39Å; V28-L164 VanDerWaalsContact CA-CD1 3.43Å; H161-L164 PolarHBondContact O-N 2.92Å; K162-L164 PolarHBondContact O-N 2.96Å; L164-R166 VanDerWaalsContact C-N 3.28Å; L164-R166 PolarHBondContact O-N 3.27Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-H168 WeakPolarHBondContact O-CB 3.31Å; L164-H168 PolarHBondContact O-CD2 3.05Å; L164-H168 PolarHBondContact O-N 3.05Å; L164-S185 WeakPolarHBondContact CG-OG 3.49Å
165	A	98.1	Very high	98.3	Very high	37 Å²	37	34.9 Å²	34.9	31%	0.306	17%	0.172	S	C	.	.	H	α-helix	trans	-55.5	-46.9	173	0	0	0	0	0	110.8	H161 K162 H168 E169	H161-A165 PolarHBondContact O-N 3.04Å; K162-A165 PolarHBondContact O-N 3.4Å; A165-H168 PolarHBondContact O-N 3.34Å; A165-E169 PolarHBondContact O-N 2.82Å
166	R	98.5	Very high	98.3	Very high	53 Å²	53	34.1 Å²	34.1	20%	0.2	17%	0.169	C	C	.	.	H	α-helix	trans	-65.1	-45.3	177.1	-178.1	55.1	174.9	174.4	-3.5	112.8	K162 L164 H168 E169 L170 H228 V229 I233	K162-R166 WeakPolarHBondContact O-CB 3.49Å; K162-R166 PolarHBondContact O-N 3.32Å; L164-R166 VanDerWaalsContact C-N 3.28Å; L164-R166 PolarHBondContact O-N 3.27Å; R166-H168 VanDerWaalsContact C-N 3.26Å; R166-H168 PolarHBondContact O-N 2.97Å; R166-E169 WeakPolarHBondContact CD-OE2 3.46Å; R166-E169 IonicContact CZ-OE2 3.3Å; R166-E169 IonicContact NH1-OE1 2.91Å; R166-E169 PolarHBondContact NH1-OE1 2.84Å; R166-E169 IonicContact NH1-OE2 3.12Å; R166-E169 PolarHBondContact NH1-OE2 2.88Å; R166-E169 WeakPolarHBondContact O-CB 3.22Å; R166-E169 PolarHBondContact O-N 3.11Å; R166-L170 HydrophobicContact CG-CD1 4.23Å; R166-L170 WeakPolarHBondContact O-CG 3.42Å; R166-L170 PolarHBondContact O-N 3.26Å; R166-H228 PolarHBondContact NE-O 3.17Å; R166-V229 HydrophobicContact CB-CG1 4.33Å; R166-V229 HydrophobicContact CG-CG1 4.4Å; R166-I233 HydrophobicContact CB-CD1 3.81Å; R166-I233 HydrophobicContact CB-CG1 3.67Å; R166-I233 HydrophobicContact CG-CD1 4.11Å; R166-I233 HydrophobicContact CG-CG1 3.89Å
167	L	98.7	Very high	98.2	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-56.3	-43.6	176.2	-175.2	152.1	0	0	0	111.2	L163 L164 L170 R171 I208 A210 L225 V229	L163-L167 WeakPolarHBondContact O-CB 3.38Å; L163-L167 PolarHBondContact O-N 2.94Å; L164-L167 PolarHBondContact O-N 3.25Å; L167-L170 PolarHBondContact O-N 3.07Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 PolarHBondContact O-N 2.98Å; L167-I208 HydrophobicContact CD1-CG2 4.1Å; L167-A210 HydrophobicContact CD1-CB 3.86Å; L167-L225 HydrophobicContact CD1-CD2 3.48Å; L167-L225 VanDerWaalsContact CD1-CD2 3.48Å; L167-L225 HydrophobicContact CG-CD2 4.46Å; L167-V229 HydrophobicContact CB-CG1 4.32Å; L167-V229 HydrophobicContact CB-CG2 4.2Å
168	H	97.9	Very high	98.2	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.028	20%	0.197	C	C	.	.	H	α-helix	trans	-75.4	-30.3	-178.8	-83.9	-113.6	0	0	0	113.8	S29 E30 L164 A165 R166 R171 R172 P181 S183	S29-H168 WeakPolarHBondContact CB-CE1 3.4Å; S29-H168 WeakPolarHBondContact CB-NE2 3.38Å; S29-H168 PolarHBondContact OG-NE2 3.28Å; E30-H168 WeakPolarHBondContact CG-ND1 3.31Å; E30-H168 IonicContact OE1-CE1 4Å; E30-H168 IonicContact OE1-ND1 3.1Å; E30-H168 PolarHBondContact OE1-ND1 3.28Å; E30-H168 VanDerWaalsContact OE1-ND1 3.12Å; L164-H168 WeakPolarHBondContact O-CB 3.31Å; L164-H168 PolarHBondContact O-CD2 3.05Å; L164-H168 PolarHBondContact O-N 3.05Å; A165-H168 PolarHBondContact O-N 3.34Å; R166-H168 VanDerWaalsContact C-N 3.26Å; R166-H168 PolarHBondContact O-N 2.97Å; H168-R171 PolarHBondContact ND1-NE 3.41Å; H168-R171 PolarHBondContact ND1-NH2 2.85Å; H168-R172 WeakPolarHBondContact O-CB 3.41Å; H168-R172 VanDerWaalsContact O-CG 3.29Å; H168-R172 WeakPolarHBondContact O-CG 3.28Å; H168-R172 PolarHBondContact O-N 2.7Å; H168-R172 VanDerWaalsContact O-N 3.1Å; H168-R172 PolarHBondContact O-NH1 2.69Å; H168-R172 VanDerWaalsContact O-NH1 3.13Å; H168-P181 PolarHBondContact CE1-O 2.81Å; H168-P181 PolarHBondContact NE2-O 3.49Å; H168-S183 PolarHBondContact NE2-OG 2.55Å
169	E	98.2	Very high	98.2	Very high	97 Å²	97	39.9 Å²	39.9	45%	0.453	20%	0.196	S	C	.	.	H	α-helix	trans	-59	-51.1	167.7	-174	-160.5	157.8	0	0	110.1	A165 R166 R171 R172 N173	A165-E169 PolarHBondContact O-N 2.82Å; R166-E169 WeakPolarHBondContact CD-OE2 3.46Å; R166-E169 IonicContact CZ-OE2 3.3Å; R166-E169 IonicContact NH1-OE1 2.91Å; R166-E169 PolarHBondContact NH1-OE1 2.84Å; R166-E169 IonicContact NH1-OE2 3.12Å; R166-E169 PolarHBondContact NH1-OE2 2.88Å; R166-E169 WeakPolarHBondContact O-CB 3.22Å; R166-E169 PolarHBondContact O-N 3.11Å; E169-R171 VanDerWaalsContact C-N 3.32Å; E169-R171 PolarHBondContact O-N 2.9Å; E169-R172 PolarHBondContact O-N 2.87Å; E169-R172 VanDerWaalsContact O-N 3.17Å; E169-N173 PolarHBondContact O-N 3.43Å; E169-N173 VanDerWaalsContact O-N 3.1Å
170	L	98.6	Very high	98.2	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-28	-179	-63.2	175.4	0	0	0	113.9	R166 L167 N173 D174 T175 L176 H228 V229	R166-L170 HydrophobicContact CG-CD1 4.23Å; R166-L170 WeakPolarHBondContact O-CG 3.42Å; R166-L170 PolarHBondContact O-N 3.26Å; L167-L170 PolarHBondContact O-N 3.07Å; L170-N173 VanDerWaalsContact CA-OD1 3.32Å; L170-N173 WeakPolarHBondContact CA-OD1 3.31Å; L170-N173 PolarHBondContact O-OD1 2.65Å; L170-D174 PolarHBondContact O-N 2.94Å; L170-T175 HydrophobicContact CD2-CG2 4Å; L170-T175 PolarHBondContact O-N 3.05Å; L170-T175 VanDerWaalsContact O-N 3.09Å; L170-L176 HydrophobicContact CB-CB 4.36Å; L170-L176 HydrophobicContact CB-CD1 3.81Å; L170-L176 HydrophobicContact CB-CG 3.74Å; L170-L176 HydrophobicContact CD1-CD1 3.97Å; L170-L176 HydrophobicContact CD1-CG 4.23Å; L170-L176 PolarHBondContact O-N 3.34Å; L170-H228 HydrophobicContact CD1-CB 3.7Å; L170-H228 WeakPolarHBondContact CD1-O 3.5Å; L170-V229 HydrophobicContact CD1-CG2 4.13Å
171	R	98.2	Very high	98.1	Very high	26 Å²	26	40.2 Å²	40.2	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-45.1	170.1	180	-174.2	66.7	79.3	-8.2	111	E30 I93 L167 H168 E169 D174 A179 L180	E30-R171 IonicContact OE1-NH2 2.77Å; E30-R171 PolarHBondContact OE1-NH2 2.97Å; I93-R171 PolarHBondContact O-NH2 3.43Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 PolarHBondContact O-N 2.98Å; H168-R171 PolarHBondContact ND1-NE 3.41Å; H168-R171 PolarHBondContact ND1-NH2 2.85Å; E169-R171 VanDerWaalsContact C-N 3.32Å; E169-R171 PolarHBondContact O-N 2.9Å; R171-D174 PolarHBondContact O-N 3.11Å; R171-A179 HydrophobicContact CB-CB 4.04Å; R171-A179 HydrophobicContact CG-CB 3.93Å; R171-L180 WeakPolarHBondContact CD-O 3.34Å
172	R	97.1	Very high	98.1	Very high	112 Å²	112	39.8 Å²	39.8	42%	0.423	20%	0.196	S	C	.	.	H	α-helix	trans	-77	-22.1	-175	-70.8	-172.3	-153.6	102.3	-22.6	113.8	E30 H168 E169	E30-R172 IonicContact OE1-CZ 2.89Å; E30-R172 IonicContact OE1-NE 3.3Å; E30-R172 PolarHBondContact OE1-NE 2.77Å; E30-R172 IonicContact OE1-NH2 2.92Å; E30-R172 PolarHBondContact OE1-NH2 2.92Å; E30-R172 IonicContact OE2-CZ 3.74Å; E30-R172 IonicContact OE2-NH2 3.8Å; E30-R172 PolarHBondContact OE2-NH2 3.15Å; H168-R172 WeakPolarHBondContact O-CB 3.41Å; H168-R172 VanDerWaalsContact O-CG 3.29Å; H168-R172 WeakPolarHBondContact O-CG 3.28Å; H168-R172 PolarHBondContact O-N 2.7Å; H168-R172 VanDerWaalsContact O-N 3.1Å; H168-R172 PolarHBondContact O-NH1 2.69Å; H168-R172 VanDerWaalsContact O-NH1 3.13Å; E169-R172 PolarHBondContact O-N 2.87Å; E169-R172 VanDerWaalsContact O-N 3.17Å
173	N	97.5	Very high	98.1	Very high	78 Å²	78	36.1 Å²	36.1	42%	0.417	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	13.5	175.1	73.9	18.5	0	0	0	113.3	E169 L170 T175	E169-N173 PolarHBondContact O-N 3.43Å; E169-N173 VanDerWaalsContact O-N 3.1Å; L170-N173 VanDerWaalsContact CA-OD1 3.32Å; L170-N173 WeakPolarHBondContact CA-OD1 3.31Å; L170-N173 PolarHBondContact O-OD1 2.65Å; N173-T175 PolarHBondContact O-N 3.45Å; N173-T175 WeakPolarHBondContact OD1-CB 3.22Å; N173-T175 PolarHBondContact OD1-N 3.17Å; N173-T175 PolarHBondContact OD1-OG1 3.3Å
174	D	96.9	Very high	98.1	Very high	123 Å²	123	39.4 Å²	39.4	66%	0.658	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	8.1	179.3	-61.8	-50.7	0	0	0	116.5	L170 R171 L176 E177	L170-D174 PolarHBondContact O-N 2.94Å; R171-D174 PolarHBondContact O-N 3.11Å; D174-L176 VanDerWaalsContact C-N 3.25Å; D174-L176 PolarHBondContact O-N 3.39Å; D174-E177 PolarHBondContact O-N 2.71Å
175	T	98.1	Very high	98.1	Very high	71 Å²	71	39.6 Å²	39.6	44%	0.436	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-38.3	172.6	-58.6	0	0	0	0	111.2	L170 N173	L170-T175 HydrophobicContact CD2-CG2 4Å; L170-T175 PolarHBondContact O-N 3.05Å; L170-T175 VanDerWaalsContact O-N 3.09Å; N173-T175 PolarHBondContact O-N 3.45Å; N173-T175 WeakPolarHBondContact OD1-CB 3.22Å; N173-T175 PolarHBondContact OD1-N 3.17Å; N173-T175 PolarHBondContact OD1-OG1 3.3Å
176	L	98.3	Very high	98.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	65.3	170.5	-61.1	-178.5	0	0	0	109.8	L170 D174 W178 A179 D224 V229	L170-L176 HydrophobicContact CB-CB 4.36Å; L170-L176 HydrophobicContact CB-CD1 3.81Å; L170-L176 HydrophobicContact CB-CG 3.74Å; L170-L176 HydrophobicContact CD1-CD1 3.97Å; L170-L176 HydrophobicContact CD1-CG 4.23Å; L170-L176 PolarHBondContact O-N 3.34Å; D174-L176 VanDerWaalsContact C-N 3.25Å; D174-L176 PolarHBondContact O-N 3.39Å; L176-W178 HydrophobicContact CB-CZ2 4.36Å; L176-W178 HydrophobicContact CD1-CZ2 4.11Å; L176-W178 HydrophobicContact CD2-CZ2 4.01Å; L176-W178 HydrophobicContact CG-CZ2 4.38Å; L176-W178 PolarHBondContact O-N 2.93Å; L176-A179 HydrophobicContact CB-CB 4Å; L176-A179 WeakPolarHBondContact O-CB 3.3Å; L176-A179 PolarHBondContact O-N 3.37Å; L176-D224 HydrophobicContact CD2-CB 3.68Å; L176-V229 HydrophobicContact CD1-CG2 4.16Å
177	E	97.3	Very high	98.2	Very high	122 Å²	122	38.6 Å²	38.6	57%	0.57	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-20.1	-177.6	65.6	176.6	-175.9	0	0	115.1	D174 K213	D174-E177 PolarHBondContact O-N 2.71Å; E177-K213 WeakPolarHBondContact O-CD 3.4Å; E177-K213 WeakPolarHBondContact O-CE 3.35Å; E177-K213 PolarHBondContact O-NZ 2.73Å
178	W	98	Very high	98.2	Very high	6 Å²	6	39.1 Å²	39.1	2%	0.023	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-20.6	178	56.4	-100.2	0	0	0	113.3	L176 A210 H212 K213 A216 I221 D224 L225	L176-W178 HydrophobicContact CB-CZ2 4.36Å; L176-W178 HydrophobicContact CD1-CZ2 4.11Å; L176-W178 HydrophobicContact CD2-CZ2 4.01Å; L176-W178 HydrophobicContact CG-CZ2 4.38Å; L176-W178 PolarHBondContact O-N 2.93Å; W178-A210 HydrophobicContact CH2-CB 4.23Å; W178-A210 HydrophobicContact CZ3-CB 3.99Å; W178-H212 HydrophobicContact CE3-CB 3.61Å; W178-H212 HydrophobicContact CZ3-CB 4.13Å; W178-H212 CarbonylContact O-C 3.52Å; W178-H212 VanDerWaalsContact O-CA 3.24Å; W178-H212 WeakPolarHBondContact O-CA 3.36Å; W178-K213 PolarHBondContact O-N 2.99Å; W178-A216 HydrophobicContact CB-CB 3.5Å; W178-A216 VanDerWaalsContact CB-CB 3.5Å; W178-A216 HydrophobicContact CG-CB 4.17Å; W178-I221 HydrophobicContact CD2-CG1 3.82Å; W178-I221 HydrophobicContact CE3-CD1 4.38Å; W178-I221 HydrophobicContact CE3-CG1 3.83Å; W178-I221 HydrophobicContact CE3-CG2 4.45Å; W178-I221 HydrophobicContact CG-CG1 4.37Å; W178-I221 HydrophobicContact CH2-CB 4.4Å; W178-I221 HydrophobicContact CH2-CG1 4.39Å; W178-I221 HydrophobicContact CH2-CG2 3.71Å; W178-I221 HydrophobicContact CZ2-CB 4.37Å; W178-I221 HydrophobicContact CZ2-CG1 4.34Å; W178-I221 HydrophobicContact CZ2-CG2 4.12Å; W178-I221 HydrophobicContact CZ3-CG1 4.13Å; W178-I221 HydrophobicContact CZ3-CG2 3.89Å; W178-D224 HydrophobicContact CZ2-CB 4.05Å; W178-D224 PolarHBondContact NE1-OD2 3.5Å; W178-L225 HydrophobicContact CH2-CD2 3.94Å; W178-L225 HydrophobicContact CH2-CG 4.01Å; W178-L225 HydrophobicContact CZ2-CD2 4.45Å; W178-L225 HydrophobicContact CZ2-CG 4.34Å
179	A	98.4	Very high	98.2	Very high	9 Å²	9	38.8 Å²	38.8	7%	0.074	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	137.7	-171.5	0	0	0	0	0	111.5	R171 L176	R171-A179 HydrophobicContact CB-CB 4.04Å; R171-A179 HydrophobicContact CG-CB 3.93Å; L176-A179 HydrophobicContact CB-CB 4Å; L176-A179 WeakPolarHBondContact O-CB 3.3Å; L176-A179 PolarHBondContact O-N 3.37Å
180	L	98.2	Very high	98.2	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.052	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	169.9	175.4	-64.1	-176.1	0	0	0	110.1	K100 R171 D182 Q211 K213	K100-L180 HydrophobicContact CD-CD2 4.32Å; K100-L180 HydrophobicContact CG-CD2 3.98Å; R171-L180 WeakPolarHBondContact CD-O 3.34Å; L180-D182 PolarHBondContact O-N 3.3Å; L180-Q211 HydrophobicContact CB-CB 3.88Å; L180-Q211 VanDerWaalsContact CB-CD 3.49Å; L180-Q211 HydrophobicContact CB-CG 3.68Å; L180-Q211 HydrophobicContact CD1-CG 4.03Å; L180-Q211 HydrophobicContact CG-CG 4.44Å; L180-Q211 PolarHBondContact N-O 3.02Å; L180-K213 HydrophobicContact CD2-CG 4.12Å; L180-K213 HydrophobicContact CG-CG 4.42Å
181	P	98	Very high	98.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	-35.7	-168.2	-25.9	35.9	0	0	0	115.8	S29 G31 I93 G94 F95 H168	S29-P181 PolarHBondContact OG-O 2.81Å; G31-P181 VanDerWaalsContact CA-O 3.3Å; G31-P181 WeakPolarHBondContact CA-O 3.41Å; I93-P181 HydrophobicContact CG2-CB 4.21Å; G94-P181 WeakPolarHBondContact O-CG 3.22Å; F95-P181 HydrophobicContact CD1-CG 4.21Å; F95-P181 HydrophobicContact CD2-CB 4.23Å; F95-P181 HydrophobicContact CD2-CG 4.37Å; F95-P181 HydrophobicContact CE1-CB 4.2Å; F95-P181 HydrophobicContact CE1-CG 4.13Å; F95-P181 HydrophobicContact CE2-CB 3.77Å; F95-P181 HydrophobicContact CE2-CG 4.3Å; F95-P181 HydrophobicContact CG-CG 4.35Å; F95-P181 HydrophobicContact CZ-CB 3.75Å; F95-P181 HydrophobicContact CZ-CG 4.19Å; H168-P181 PolarHBondContact CE1-O 2.81Å; H168-P181 PolarHBondContact NE2-O 3.49Å
182	D	98.3	Very high	98	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.5	-174.9	-168.8	-6.3	0	0	0	111.8	L180 Q211 F253 G257	L180-D182 PolarHBondContact O-N 3.3Å; D182-Q211 HydrophobicContact CB-CB 3.99Å; D182-Q211 WeakPolarHBondContact O-CA 3.29Å; D182-Q211 WeakPolarHBondContact O-CB 3.35Å; D182-Q211 PolarHBondContact O-N 3.24Å; D182-F253 HydrophobicContact CB-CZ 4.28Å; D182-G257 PolarHBondContact OD2-N 3.45Å
183	S	98.5	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	151.5	177.6	63.1	0	0	0	0	112.6	S29 H168 S209	S29-S183 WeakPolarHBondContact CB-OG 3.28Å; S29-S183 PolarHBondContact N-O 2.84Å; S29-S183 PolarHBondContact OG-N 2.94Å; S29-S183 PolarHBondContact OG-O 3.28Å; S29-S183 PolarHBondContact OG-OG 3.4Å; S29-S183 VanDerWaalsContact OG-OG 3.09Å; H168-S183 PolarHBondContact NE2-OG 2.55Å; S183-S209 CarbonylContact C-O 3.52Å; S183-S209 VanDerWaalsContact CA-O 3.23Å; S183-S209 WeakPolarHBondContact CA-O 3.46Å
184	K	98.7	Very high	97.4	Very high	70 Å²	70	35.1 Å²	35.1	30%	0.304	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.2	-176.5	-49.9	-178.9	-178.8	175.6	0	109.7	V28 I208 S209	V28-K184 HydrophobicContact CG1-CB 4.42Å; V28-K184 HydrophobicContact CG1-CG 4.04Å; K184-I208 WeakPolarHBondContact O-CA 3.43Å; K184-S209 PolarHBondContact N-O 3.44Å; K184-S209 PolarHBondContact O-N 2.74Å
185	S	98.8	Very high	97	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.5	173.6	65.2	0	0	0	0	110.2	E26 S27 A160 L164 V207	E26-S185 CarbonylContact C-O 3.57Å; E26-S185 VanDerWaalsContact CA-O 3.23Å; E26-S185 WeakPolarHBondContact CA-O 3.35Å; E26-S185 WeakPolarHBondContact CB-O 3.4Å; S27-S185 PolarHBondContact N-O 3.4Å; S27-S185 PolarHBondContact O-N 2.83Å; A160-S185 VanDerWaalsContact C-OG 3.31Å; A160-S185 WeakPolarHBondContact CA-OG 3.37Å; A160-S185 PolarHBondContact O-OG 2.81Å; L164-S185 WeakPolarHBondContact CG-OG 3.49Å; S185-V207 CarbonylContact C-O 3.41Å; S185-V207 WeakPolarHBondContact CA-O 3.47Å
186	Q	98.9	Very high	96.7	Very high	69 Å²	69	33.1 Å²	33.1	32%	0.322	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	132.8	172.9	-172.6	-176.6	-80.8	0	0	109.2	T24 S25 E26 I206 V207	T24-Q186 HydrophobicContact CG2-CG 3.29Å; S25-Q186 WeakPolarHBondContact O-CA 3.31Å; E26-Q186 HydrophobicContact CB-CB 4.2Å; E26-Q186 HydrophobicContact CB-CG 4.16Å; Q186-I206 WeakPolarHBondContact O-CA 3.5Å; Q186-V207 HydrophobicContact CB-CB 4.03Å; Q186-V207 HydrophobicContact CB-CG2 4.28Å; Q186-V207 PolarHBondContact N-O 3.46Å; Q186-V207 PolarHBondContact O-N 2.94Å
187	V	98.9	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.6	-177.6	-173.8	0	0	0	0	109.2	T24 S25 L159 A160 L163 V189 V203	T24-V187 WeakPolarHBondContact CA-O 3.45Å; S25-V187 PolarHBondContact N-O 2.91Å; S25-V187 VanDerWaalsContact N-O 3.07Å; S25-V187 PolarHBondContact O-N 2.86Å; L159-V187 HydrophobicContact CB-CG1 4.24Å; L159-V187 HydrophobicContact CB-CG2 4.11Å; L159-V187 HydrophobicContact CD1-CG1 4.21Å; A160-V187 HydrophobicContact CB-CG2 4.06Å; L163-V187 HydrophobicContact CD1-CG2 3.69Å; V187-V189 HydrophobicContact CG1-CG2 3.86Å; V187-V203 HydrophobicContact CG1-CG1 4.02Å
188	T	98.9	Very high	96.3	Very high	12 Å²	12	30.5 Å²	30.5	7%	0.074	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.3	169.6	-53.5	0	0	0	0	108.7	L22 F23 T24 H204 T205	L22-T188 HydrophobicContact CB-CG2 3.89Å; L22-T188 HydrophobicContact CD1-CG2 4.39Å; L22-T188 HydrophobicContact CD2-CG2 4.42Å; L22-T188 HydrophobicContact CG-CG2 4.46Å; F23-T188 WeakPolarHBondContact O-CA 3.39Å; T24-T188 WeakPolarHBondContact OG1-CB 3.23Å; T24-T188 WeakPolarHBondContact OG1-CG2 3.48Å; T24-T188 PolarHBondContact OG1-OG1 3.02Å; T188-H204 HydrophobicContact CG2-CB 4.2Å; T188-H204 WeakPolarHBondContact O-CA 3.4Å; T188-H204 PolarHBondContact O-N 3.06Å; T188-T205 PolarHBondContact N-O 2.92Å; T188-T205 PolarHBondContact O-N 2.85Å; T188-T205 VanDerWaalsContact O-N 3.12Å
189	V	98.7	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.6	177.2	176.8	0	0	0	0	108.7	F23 L155 V187 Y191 P200 R202 V203	F23-V189 PolarHBondContact N-O 2.95Å; F23-V189 PolarHBondContact O-N 3.29Å; L155-V189 HydrophobicContact CD2-CG1 4.46Å; V187-V189 HydrophobicContact CG1-CG2 3.86Å; V189-Y191 HydrophobicContact CB-CD2 4.06Å; V189-Y191 HydrophobicContact CB-CE2 3.34Å; V189-Y191 HydrophobicContact CG1-CD1 4.34Å; V189-Y191 HydrophobicContact CG1-CD2 3.9Å; V189-Y191 HydrophobicContact CG1-CE1 3.91Å; V189-Y191 HydrophobicContact CG1-CE2 3.44Å; V189-Y191 VanDerWaalsContact CG1-CE2 3.44Å; V189-Y191 HydrophobicContact CG1-CG 4.33Å; V189-Y191 VanDerWaalsContact CG1-CZ 3.43Å; V189-Y191 HydrophobicContact CG2-CE2 4.46Å; V189-Y191 VanDerWaalsContact O-CD2 3.28Å; V189-Y191 WeakPolarHBondContact O-CD2 3.29Å; V189-P200 HydrophobicContact CG1-CB 4.01Å; V189-R202 WeakPolarHBondContact CG1-O 3.49Å; V189-V203 HydrophobicContact CG2-CG2 4.35Å
190	E	98.3	Very high	96.1	Very high	30 Å²	30	32.9 Å²	32.9	14%	0.14	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127	169.7	-174.5	179.5	165	0	0	108.7	R20 F21 L22 V201 R202	R20-E190 HydrophobicContact CB-CG 4.25Å; R20-E190 WeakPolarHBondContact CD-OE1 3.37Å; R20-E190 IonicContact CZ-OE1 2.77Å; R20-E190 IonicContact NE-OE1 3.71Å; R20-E190 IonicContact NH1-OE1 3.54Å; R20-E190 PolarHBondContact NH1-OE1 2.94Å; F21-E190 CarbonylContact O-C 3.59Å; F21-E190 WeakPolarHBondContact O-CA 3.48Å; L22-E190 HydrophobicContact CD2-CB 3.71Å; L22-E190 HydrophobicContact CD2-CG 4.01Å; E190-V201 HydrophobicContact CG-CB 4.48Å; E190-V201 WeakPolarHBondContact O-CB 3.32Å; E190-V201 PolarHBondContact O-N 3.19Å; E190-R202 HydrophobicContact CB-CG 3.94Å; E190-R202 PolarHBondContact N-O 2.92Å; E190-R202 PolarHBondContact O-N 3.37Å; E190-R202 VanDerWaalsContact OE2-CD 3.3Å; E190-R202 WeakPolarHBondContact OE2-CD 3.18Å; E190-R202 VanDerWaalsContact OE2-CG 3.32Å; E190-R202 WeakPolarHBondContact OE2-CG 3.33Å; E190-R202 IonicContact OE2-NH1 2.57Å; E190-R202 PolarHBondContact OE2-NH1 3.34Å
191	Y	97.5	Very high	96.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	161.3	-177.6	-68.8	-88.2	0	0	0	110.9	R20 F21 F23 E148 S156 V189 C198 I199 P200 W277	R20-Y191 CarbonylContact C-O 3.56Å; R20-Y191 WeakPolarHBondContact CA-O 3.24Å; F21-Y191 HydrophobicContact CE2-CD2 4.19Å; F21-Y191 HydrophobicContact CE2-CG 4.26Å; F21-Y191 HydrophobicContact CZ-CG 4.13Å; F21-Y191 PolarHBondContact N-O 2.66Å; F21-Y191 PolarHBondContact O-N 3.19Å; F23-Y191 HydrophobicContact CB-CD2 3.86Å; F23-Y191 HydrophobicContact CB-CE2 3.8Å; E148-Y191 VanDerWaalsContact OE2-CE1 3.27Å; E148-Y191 WeakPolarHBondContact OE2-CE1 3.46Å; S156-Y191 PolarHBondContact N-OH 3.17Å; S156-Y191 VanDerWaalsContact N-OH 3.13Å; S156-Y191 PolarHBondContact OG-OH 3.39Å; V189-Y191 HydrophobicContact CB-CD2 4.06Å; V189-Y191 HydrophobicContact CB-CE2 3.34Å; V189-Y191 HydrophobicContact CG1-CD1 4.34Å; V189-Y191 HydrophobicContact CG1-CD2 3.9Å; V189-Y191 HydrophobicContact CG1-CE1 3.91Å; V189-Y191 HydrophobicContact CG1-CE2 3.44Å; V189-Y191 VanDerWaalsContact CG1-CE2 3.44Å; V189-Y191 HydrophobicContact CG1-CG 4.33Å; V189-Y191 VanDerWaalsContact CG1-CZ 3.43Å; V189-Y191 HydrophobicContact CG2-CE2 4.46Å; V189-Y191 VanDerWaalsContact O-CD2 3.28Å; V189-Y191 WeakPolarHBondContact O-CD2 3.29Å; Y191-C198 WeakPolarHBondContact CD1-SG 3.34Å; Y191-I199 WeakPolarHBondContact CA-O 3.38Å; Y191-P200 HydrophobicContact CD1-CB 4.09Å; Y191-P200 HydrophobicContact CD1-CG 4.24Å; Y191-P200 HydrophobicContact CE1-CB 3.8Å; Y191-P200 HydrophobicContact CE1-CG 3.77Å; Y191-W277 HydrophobicContact CD2-CH2 4.42Å; Y191-W277 HydrophobicContact CD2-CZ2 4.08Å; Y191-W277 HydrophobicContact CE1-CZ2 4.29Å; Y191-W277 HydrophobicContact CE2-CH2 4.41Å; Y191-W277 AromaticContact CE2-CZ2 3.65Å; Y191-W277 HydrophobicContact CE2-CZ2 3.65Å; Y191-W277 AromaticContact CZ-CZ2 3.79Å
192	K	95.3	Very high	96.1	Very high	72 Å²	72	35.4 Å²	35.4	31%	0.313	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153	160.8	63.8	172.3	-172.5	146.3	0	109	E194 I199 V201	K192-E194 IonicContact NZ-OE2 3.33Å; K192-E194 PolarHBondContact NZ-OE2 2.79Å; K192-I199 HydrophobicContact CG-CB 3.94Å; K192-I199 HydrophobicContact CG-CG2 4.47Å; K192-I199 PolarHBondContact N-O 3.23Å; K192-I199 PolarHBondContact O-N 2.76Å; K192-V201 HydrophobicContact CB-CG2 4.32Å; K192-V201 HydrophobicContact CD-CG2 4.42Å; K192-V201 HydrophobicContact CG-CG2 3.97Å
193	F	92.2	Very high	96.1	Very high	57 Å²	57	35.3 Å²	35.3	25%	0.25	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.6	168.8	-69.7	-57.9	0	0	0	111	F21 R197 C198	F21-F193 HydrophobicContact CD1-CD2 4.28Å; F21-F193 HydrophobicContact CD1-CE2 4.05Å; F21-F193 HydrophobicContact CE1-CD1 4.22Å; F21-F193 AromaticContact CE1-CD2 3.62Å; F21-F193 HydrophobicContact CE1-CD2 3.62Å; F21-F193 AromaticContact CE1-CE1 3.98Å; F21-F193 HydrophobicContact CE1-CE1 3.98Å; F21-F193 AromaticContact CE1-CE2 3.36Å; F21-F193 HydrophobicContact CE1-CE2 3.36Å; F21-F193 HydrophobicContact CE1-CG 4.05Å; F21-F193 AromaticContact CE1-CZ 3.55Å; F21-F193 HydrophobicContact CE1-CZ 3.55Å; F21-F193 HydrophobicContact CE2-CZ 4.24Å; F21-F193 HydrophobicContact CZ-CD1 4.39Å; F21-F193 HydrophobicContact CZ-CD2 4.31Å; F21-F193 AromaticContact CZ-CE1 3.75Å; F21-F193 HydrophobicContact CZ-CE1 3.75Å; F21-F193 AromaticContact CZ-CE2 3.67Å; F21-F193 HydrophobicContact CZ-CE2 3.67Å; F21-F193 AromaticContact CZ-CZ 3.35Å; F21-F193 HydrophobicContact CZ-CZ 3.35Å; F193-R197 WeakPolarHBondContact CA-O 3.48Å; F193-C198 HydrophobicContact CE1-CB 4.39Å
194	E	90.2	Very high	96.1	Very high	80 Å²	80	37.3 Å²	37.3	37%	0.374	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	104.3	175	-171	167.2	164.5	0	0	108.9	K192 G196 R197 I199	K192-E194 IonicContact NZ-OE2 3.33Å; K192-E194 PolarHBondContact NZ-OE2 2.79Å; E194-G196 VanDerWaalsContact C-N 3.31Å; E194-G196 PolarHBondContact O-N 3.39Å; E194-R197 PolarHBondContact N-O 3.21Å; E194-R197 WeakPolarHBondContact O-CB 3.35Å; E194-R197 WeakPolarHBondContact O-CG 3.42Å; E194-R197 PolarHBondContact O-N 3.07Å; E194-I199 HydrophobicContact CB-CG1 3.91Å
195	H	88.5	Confident	96.1	Very high	131 Å²	131	34.7 Å²	34.7	61%	0.606	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	48.6	-175.7	-58.3	-77.5	0	0	0	113.3	R197	H195-R197 PolarHBondContact O-N 3.01Å
196	G	91.1	Very high	96.1	Very high	22 Å²	22	34.5 Å²	34.5	23%	0.227	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-20.8	-179.1	0	0	0	0	0	115.2	E194 Y338	E194-G196 VanDerWaalsContact C-N 3.31Å; E194-G196 PolarHBondContact O-N 3.39Å; G196-Y338 WeakPolarHBondContact CA-O 3.29Å
197	R	93.4	Very high	96.1	Very high	68 Å²	68	32.6 Å²	32.6	26%	0.257	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	143.5	175.5	-55.7	175.3	66.1	-162.7	1.5	110.3	D147 F193 E194 H195 I199 K315 T340	D147-R197 IonicContact OD1-NE 3.18Å; D147-R197 IonicContact OD1-NH2 2.68Å; D147-R197 IonicContact OD2-CZ 3.74Å; D147-R197 VanDerWaalsContact OD2-CZ 3.26Å; D147-R197 IonicContact OD2-NE 3.66Å; D147-R197 PolarHBondContact OD2-NE 3.2Å; D147-R197 IonicContact OD2-NH2 3.26Å; D147-R197 PolarHBondContact OD2-NH2 3.5Å; F193-R197 WeakPolarHBondContact CA-O 3.48Å; E194-R197 PolarHBondContact N-O 3.21Å; E194-R197 WeakPolarHBondContact O-CB 3.35Å; E194-R197 WeakPolarHBondContact O-CG 3.42Å; E194-R197 PolarHBondContact O-N 3.07Å; H195-R197 PolarHBondContact O-N 3.01Å; R197-I199 HydrophobicContact CB-CD1 3.98Å; R197-K315 HydrophobicContact CG-CB 3.73Å; R197-K315 HydrophobicContact CG-CG 4.01Å; R197-T340 HydrophobicContact CG-CG2 3.91Å
198	C	93.4	Very high	96.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.3	171.2	-163	0	0	0	0	108.2	E148 Y191 F193 W277	E148-C198 HydrophobicContact CG-CB 4.3Å; E148-C198 WeakPolarHBondContact CG-O 3.49Å; Y191-C198 WeakPolarHBondContact CD1-SG 3.34Å; F193-C198 HydrophobicContact CE1-CB 4.39Å; C198-W277 WeakPolarHBondContact SG-CH2 3.43Å
199	I	95.8	Very high	96.1	Very high	37 Å²	37	33.2 Å²	33.2	19%	0.19	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.1	-177.8	-53.1	-59.4	0	0	0	108.9	Y191 K192 E194 R197 V201	Y191-I199 WeakPolarHBondContact CA-O 3.38Å; K192-I199 HydrophobicContact CG-CB 3.94Å; K192-I199 HydrophobicContact CG-CG2 4.47Å; K192-I199 PolarHBondContact N-O 3.23Å; K192-I199 PolarHBondContact O-N 2.76Å; E194-I199 HydrophobicContact CB-CG1 3.91Å; R197-I199 HydrophobicContact CB-CD1 3.98Å; I199-V201 PolarHBondContact O-N 3.39Å
200	P	97.2	Very high	96.1	Very high	28 Å²	28	33.2 Å²	33.2	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128	173.6	-8.2	20.6	0	0	0	110	E148 L155 V189 Y191	E148-P200 HydrophobicContact CB-CG 4.27Å; E148-P200 HydrophobicContact CG-CG 4.18Å; L155-P200 HydrophobicContact CB-CG 4.08Å; L155-P200 HydrophobicContact CD2-CB 3.44Å; L155-P200 VanDerWaalsContact CD2-CB 3.44Å; L155-P200 HydrophobicContact CD2-CG 3.7Å; V189-P200 HydrophobicContact CG1-CB 4.01Å; Y191-P200 HydrophobicContact CD1-CB 4.09Å; Y191-P200 HydrophobicContact CD1-CG 4.24Å; Y191-P200 HydrophobicContact CE1-CB 3.8Å; Y191-P200 HydrophobicContact CE1-CG 3.77Å
201	V	97.1	Very high	96.1	Very high	41 Å²	41	31.8 Å²	31.8	25%	0.248	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-49.1	178.7	-178.5	0	0	0	0	110.2	E190 K192 I199	E190-V201 HydrophobicContact CG-CB 4.48Å; E190-V201 WeakPolarHBondContact O-CB 3.32Å; E190-V201 PolarHBondContact O-N 3.19Å; K192-V201 HydrophobicContact CB-CG2 4.32Å; K192-V201 HydrophobicContact CD-CG2 4.42Å; K192-V201 HydrophobicContact CG-CG2 3.97Å; I199-V201 PolarHBondContact O-N 3.39Å
202	R	98.2	Very high	96.1	Very high	22 Å²	22	31.9 Å²	31.9	8%	0.083	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	159.7	-178.9	55.2	176.3	-63.3	-69.4	-2.9	112	V189 E190 H204 L238 D240 T243	V189-R202 WeakPolarHBondContact CG1-O 3.49Å; E190-R202 HydrophobicContact CB-CG 3.94Å; E190-R202 PolarHBondContact N-O 2.92Å; E190-R202 PolarHBondContact O-N 3.37Å; E190-R202 VanDerWaalsContact OE2-CD 3.3Å; E190-R202 WeakPolarHBondContact OE2-CD 3.18Å; E190-R202 VanDerWaalsContact OE2-CG 3.32Å; E190-R202 WeakPolarHBondContact OE2-CG 3.33Å; E190-R202 IonicContact OE2-NH1 2.57Å; E190-R202 PolarHBondContact OE2-NH1 3.34Å; R202-H204 PolarHBondContact O-N 3.45Å; R202-L238 CarbonylContact C-O 3.59Å; R202-L238 WeakPolarHBondContact CA-O 3.19Å; R202-L238 WeakPolarHBondContact CB-O 3.46Å; R202-D240 WeakPolarHBondContact CD-OD2 3.5Å; R202-D240 IonicContact CZ-OD1 3.89Å; R202-D240 IonicContact CZ-OD2 3.65Å; R202-D240 IonicContact NE-OD1 2.79Å; R202-D240 PolarHBondContact NE-OD1 3.39Å; R202-D240 IonicContact NE-OD2 3.08Å; R202-D240 PolarHBondContact NE-OD2 2.63Å; R202-D240 IonicContact NH2-OD1 3.2Å; R202-D240 PolarHBondContact NH2-OD1 3.13Å; R202-D240 IonicContact NH2-OD2 2.66Å; R202-T243 VanDerWaalsContact NH2-CA 3.33Å; R202-T243 PolarHBondContact NH2-OG1 3.09Å
203	V	98.7	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	115.9	169.1	178.9	0	0	0	0	109.5	L159 V187 V189 I206 V234 L238 T243	L159-V203 HydrophobicContact CD1-CG2 3.78Å; V187-V203 HydrophobicContact CG1-CG1 4.02Å; V189-V203 HydrophobicContact CG2-CG2 4.35Å; V203-I206 HydrophobicContact CG1-CD1 3.92Å; V203-I206 HydrophobicContact CG1-CG1 3.54Å; V203-V234 HydrophobicContact CG2-CG1 3.83Å; V203-L238 HydrophobicContact CG2-CB 4.24Å; V203-L238 PolarHBondContact N-O 3Å; V203-T243 HydrophobicContact CG1-CG2 4.29Å; V203-T243 WeakPolarHBondContact O-CG2 3.31Å; V203-T243 PolarHBondContact O-OG1 3.39Å
204	H	98.7	Very high	96.4	Very high	41 Å²	41	34.4 Å²	34.4	19%	0.19	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-48.3	-179.9	175.4	-75.6	0	0	0	112.9	L22 T188 R202 K244	L22-H204 HydrophobicContact CD2-CB 3.88Å; T188-H204 HydrophobicContact CG2-CB 4.2Å; T188-H204 WeakPolarHBondContact O-CA 3.4Å; T188-H204 PolarHBondContact O-N 3.06Å; R202-H204 PolarHBondContact O-N 3.45Å; H204-K244 PolarHBondContact O-N 3.44Å
205	T	98.9	Very high	96.7	Very high	15 Å²	15	36.9 Å²	36.9	9%	0.092	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.7	-178.7	-55.3	0	0	0	0	110.5	T188 V207 K244 Y246	T188-T205 PolarHBondContact N-O 2.92Å; T188-T205 PolarHBondContact O-N 2.85Å; T188-T205 VanDerWaalsContact O-N 3.12Å; T205-V207 HydrophobicContact CG2-CG2 4.1Å; T205-K244 CarbonylContact C-O 3.57Å; T205-K244 WeakPolarHBondContact CA-O 3.29Å; T205-K244 HydrophobicContact CG2-CB 4.24Å; T205-Y246 HydrophobicContact CG2-CD2 3.54Å; T205-Y246 HydrophobicContact CG2-CE2 3.68Å
206	I	98.9	Very high	97.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.2	165.1	-59.7	178.1	0	0	0	108.8	L163 Q186 V203 I208 I230 V234 K244 F245 Y246	L163-I206 HydrophobicContact CD1-CG2 3.98Å; Q186-I206 WeakPolarHBondContact O-CA 3.5Å; V203-I206 HydrophobicContact CG1-CD1 3.92Å; V203-I206 HydrophobicContact CG1-CG1 3.54Å; I206-I208 HydrophobicContact CG2-CD1 4.39Å; I206-I208 HydrophobicContact CG2-CG1 4.09Å; I206-I230 HydrophobicContact CD1-CG1 4.42Å; I206-I230 HydrophobicContact CD1-CG2 3.78Å; I206-I230 HydrophobicContact CG2-CD1 3.86Å; I206-I230 HydrophobicContact CG2-CG1 4.22Å; I206-V234 HydrophobicContact CD1-CG2 3.79Å; I206-K244 PolarHBondContact N-O 3.38Å; I206-F245 HydrophobicContact CB-CD1 4.23Å; I206-F245 HydrophobicContact CD1-CD1 4.4Å; I206-F245 HydrophobicContact CD1-CE1 4.04Å; I206-F245 WeakPolarHBondContact O-CA 3.23Å; I206-Y246 PolarHBondContact O-N 2.77Å
207	V	98.9	Very high	97.5	Very high	28 Å²	28	33.4 Å²	33.4	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.9	169.5	-168	0	0	0	0	108.4	S185 Q186 T205 Y246 P249	S185-V207 CarbonylContact C-O 3.41Å; S185-V207 WeakPolarHBondContact CA-O 3.47Å; Q186-V207 HydrophobicContact CB-CB 4.03Å; Q186-V207 HydrophobicContact CB-CG2 4.28Å; Q186-V207 PolarHBondContact N-O 3.46Å; Q186-V207 PolarHBondContact O-N 2.94Å; T205-V207 HydrophobicContact CG2-CG2 4.1Å; V207-Y246 VanDerWaalsContact CA-O 3.29Å; V207-Y246 WeakPolarHBondContact CA-O 3.49Å; V207-Y246 WeakPolarHBondContact CG1-O 3.29Å; V207-Y246 HydrophobicContact CG2-CD2 4.32Å; V207-P249 HydrophobicContact CG1-CG 4.06Å
208	I	98.9	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.6	168.3	-59.3	177.9	0	0	0	107.7	L163 L167 K184 I206 A210 L225 V229 I230 Y246 L247 N248	L163-I208 HydrophobicContact CD2-CD1 4.39Å; L167-I208 HydrophobicContact CD1-CG2 4.1Å; K184-I208 WeakPolarHBondContact O-CA 3.43Å; I206-I208 HydrophobicContact CG2-CD1 4.39Å; I206-I208 HydrophobicContact CG2-CG1 4.09Å; I208-A210 HydrophobicContact CG2-CB 4.47Å; I208-L225 HydrophobicContact CB-CD1 4.3Å; I208-L225 HydrophobicContact CG2-CD1 3.95Å; I208-L225 HydrophobicContact CG2-CD2 3.98Å; I208-V229 HydrophobicContact CD1-CG1 4.22Å; I208-I230 HydrophobicContact CD1-CD1 3.86Å; I208-I230 HydrophobicContact CD1-CG1 3.78Å; I208-Y246 PolarHBondContact N-O 3.35Å; I208-L247 HydrophobicContact CB-CD2 4.04Å; I208-L247 HydrophobicContact CD1-CD2 4.38Å; I208-L247 HydrophobicContact CG1-CD2 4.25Å; I208-N248 PolarHBondContact O-N 3Å; I208-N248 PolarHBondContact O-OD1 2.88Å
209	S	98.7	Very high	97.9	Very high	26 Å²	26	39.7 Å²	39.7	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	110.9	169.6	-66.9	0	0	0	0	107.8	S183 K184 N248	S183-S209 CarbonylContact C-O 3.52Å; S183-S209 VanDerWaalsContact CA-O 3.23Å; S183-S209 WeakPolarHBondContact CA-O 3.46Å; K184-S209 PolarHBondContact N-O 3.44Å; K184-S209 PolarHBondContact O-N 2.74Å; S209-N248 WeakPolarHBondContact CA-OD1 3.44Å
210	A	98.6	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.1	-177.4	0	0	0	0	0	110.4	L167 W178 I208 H212 N248	L167-A210 HydrophobicContact CD1-CB 3.86Å; W178-A210 HydrophobicContact CH2-CB 4.23Å; W178-A210 HydrophobicContact CZ3-CB 3.99Å; I208-A210 HydrophobicContact CG2-CB 4.47Å; A210-H212 PolarHBondContact O-CD2 2.78Å; A210-N248 PolarHBondContact N-OD1 3.49Å; A210-N248 PolarHBondContact O-ND2 3.37Å
211	Q	98.4	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	140.1	171.8	-168.2	-163.2	2.7	0	0	109	K100 L180 D182 F253 G256	K100-Q211 PolarHBondContact O-NE2 2.99Å; L180-Q211 HydrophobicContact CB-CB 3.88Å; L180-Q211 VanDerWaalsContact CB-CD 3.49Å; L180-Q211 HydrophobicContact CB-CG 3.68Å; L180-Q211 HydrophobicContact CD1-CG 4.03Å; L180-Q211 HydrophobicContact CG-CG 4.44Å; L180-Q211 PolarHBondContact N-O 3.02Å; D182-Q211 HydrophobicContact CB-CB 3.99Å; D182-Q211 WeakPolarHBondContact O-CA 3.29Å; D182-Q211 WeakPolarHBondContact O-CB 3.35Å; D182-Q211 PolarHBondContact O-N 3.24Å; Q211-F253 CarbonylContact C-O 3.57Å; Q211-F253 WeakPolarHBondContact CA-O 3.44Å; Q211-F253 HydrophobicContact CB-CD1 4.18Å; Q211-F253 HydrophobicContact CB-CE1 4.16Å; Q211-F253 HydrophobicContact CB-CG 4.47Å; Q211-F253 HydrophobicContact CB-CZ 4.46Å; Q211-F253 WeakPolarHBondContact CG-O 3.16Å; Q211-G256 VanDerWaalsContact NE2-N 3.17Å
212	H	98.2	Very high	98.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.8	-173.9	64	92.3	0	0	0	113.7	W178 A210 I221 N248 F253 T254	W178-H212 HydrophobicContact CE3-CB 3.61Å; W178-H212 HydrophobicContact CZ3-CB 4.13Å; W178-H212 CarbonylContact O-C 3.52Å; W178-H212 VanDerWaalsContact O-CA 3.24Å; W178-H212 WeakPolarHBondContact O-CA 3.36Å; A210-H212 PolarHBondContact O-CD2 2.78Å; H212-I221 HydrophobicContact CB-CD1 3.73Å; H212-I221 WeakPolarHBondContact ND1-CD1 3.39Å; H212-N248 PolarHBondContact CD2-ND2 3.36Å; H212-F253 PolarHBondContact N-O 2.83Å; H212-F253 PolarHBondContact NE2-N 2.92Å; H212-T254 WeakPolarHBondContact O-CA 3.48Å
213	K	97.6	Very high	98.2	Very high	95 Å²	95	45.2 Å²	45.2	41%	0.413	25%	0.254	S	S	.	.			trans	-58.4	140.7	169.1	-66.9	178.2	-179.3	164.9	0	109.8	E177 W178 L180 T215 A216	E177-K213 WeakPolarHBondContact O-CD 3.4Å; E177-K213 WeakPolarHBondContact O-CE 3.35Å; E177-K213 PolarHBondContact O-NZ 2.73Å; W178-K213 PolarHBondContact O-N 2.99Å; L180-K213 HydrophobicContact CD2-CG 4.12Å; L180-K213 HydrophobicContact CG-CG 4.42Å; K213-T215 PolarHBondContact O-N 3.34Å; K213-T215 VanDerWaalsContact O-N 3.14Å; K213-A216 PolarHBondContact O-N 2.9Å; K213-A216 VanDerWaalsContact O-N 3.15Å
214	A	95.9	Very high	98.2	Very high	87 Å²	87	46.1 Å²	46.1	72%	0.719	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.6	179.2	0	0	0	0	0	113.7	A216 T254	A214-A216 VanDerWaalsContact C-N 3.34Å; A214-T254 HydrophobicContact CB-CG2 3.99Å
215	T	96.4	Very high	98.2	Very high	133 Å²	133	44.2 Å²	44.2	82%	0.816	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.4	178.4	52.2	0	0	0	0	113.8	K213	K213-T215 PolarHBondContact O-N 3.34Å; K213-T215 VanDerWaalsContact O-N 3.14Å
216	A	97.5	Very high	98.2	Very high	15 Å²	15	47.9 Å²	47.9	12%	0.124	27%	0.265	C	S	.	.	S	Bend	trans	-87.2	133.1	-177.6	0	0	0	0	0	111.8	W178 K213 A214 I221	W178-A216 HydrophobicContact CB-CB 3.5Å; W178-A216 VanDerWaalsContact CB-CB 3.5Å; W178-A216 HydrophobicContact CG-CB 4.17Å; K213-A216 PolarHBondContact O-N 2.9Å; K213-A216 VanDerWaalsContact O-N 3.15Å; A214-A216 VanDerWaalsContact C-N 3.34Å; A216-I221 HydrophobicContact CB-CD1 4Å; A216-I221 HydrophobicContact CB-CG1 4.2Å
217	S	97.7	Very high	98.2	Very high	64 Å²	64	53.8 Å²	53.8	45%	0.448	29%	0.29	S	S	.	.			trans	-75.4	144.9	175.4	74	0	0	0	0	111.4	E219 K220 I221	S217-E219 PolarHBondContact O-N 2.81Å; S217-K220 PolarHBondContact O-N 3.04Å; S217-K220 WeakPolarHBondContact OG-CB 3.49Å; S217-K220 PolarHBondContact OG-N 3.45Å; S217-I221 WeakPolarHBondContact O-CG1 3.4Å; S217-I221 PolarHBondContact O-N 3.33Å
218	L	98.3	Very high	98.1	Very high	39 Å²	39	54.7 Å²	54.7	20%	0.204	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-32.9	174.8	-69.6	175.7	0	0	0	112.1	I221 R222 N248 G251	L218-I221 HydrophobicContact CD2-CD1 4.4Å; L218-I221 PolarHBondContact O-N 3.25Å; L218-R222 WeakPolarHBondContact O-CB 3.45Å; L218-R222 WeakPolarHBondContact O-CD 3.34Å; L218-R222 WeakPolarHBondContact O-CG 3.35Å; L218-R222 PolarHBondContact O-N 3.09Å; L218-N248 HydrophobicContact CD2-CB 4.2Å; L218-G251 WeakPolarHBondContact CD2-O 3.48Å
219	E	98.2	Very high	98.1	Very high	162 Å²	162	54.7 Å²	54.7	76%	0.757	29%	0.293	S	S	*	.	H	α-helix	trans	-60.7	-49.1	175.8	-174.1	-178.7	173.9	0	0	111.6	S217 R222 A223	S217-E219 PolarHBondContact O-N 2.81Å; E219-R222 PolarHBondContact O-N 3.35Å; E219-A223 WeakPolarHBondContact O-CB 3.42Å; E219-A223 PolarHBondContact O-N 3.23Å
220	K	98.1	Very high	98.1	Very high	84 Å²	84	53.4 Å²	53.4	37%	0.365	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-48.2	176.3	173.5	168.4	170.7	48.7	0	111.2	S217 R222 A223 D224	S217-K220 PolarHBondContact O-N 3.04Å; S217-K220 WeakPolarHBondContact OG-CB 3.49Å; S217-K220 PolarHBondContact OG-N 3.45Å; K220-R222 VanDerWaalsContact C-N 3.33Å; K220-R222 PolarHBondContact O-N 2.59Å; K220-A223 PolarHBondContact O-N 3.08Å; K220-D224 WeakPolarHBondContact CG-OD2 3.46Å; K220-D224 IonicContact NZ-OD1 2.77Å; K220-D224 IonicContact NZ-OD2 3.68Å; K220-D224 PolarHBondContact NZ-OD2 2.89Å; K220-D224 WeakPolarHBondContact O-CB 3.48Å; K220-D224 VanDerWaalsContact O-CG 3.27Å; K220-D224 PolarHBondContact O-N 3.2Å
221	I	98.6	Very high	98.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-48.2	179.4	-68.4	162.9	0	0	0	110.6	W178 H212 A216 S217 L218 D224 L225	W178-I221 HydrophobicContact CD2-CG1 3.82Å; W178-I221 HydrophobicContact CE3-CD1 4.38Å; W178-I221 HydrophobicContact CE3-CG1 3.83Å; W178-I221 HydrophobicContact CE3-CG2 4.45Å; W178-I221 HydrophobicContact CG-CG1 4.37Å; W178-I221 HydrophobicContact CH2-CB 4.4Å; W178-I221 HydrophobicContact CH2-CG1 4.39Å; W178-I221 HydrophobicContact CH2-CG2 3.71Å; W178-I221 HydrophobicContact CZ2-CB 4.37Å; W178-I221 HydrophobicContact CZ2-CG1 4.34Å; W178-I221 HydrophobicContact CZ2-CG2 4.12Å; W178-I221 HydrophobicContact CZ3-CG1 4.13Å; W178-I221 HydrophobicContact CZ3-CG2 3.89Å; H212-I221 HydrophobicContact CB-CD1 3.73Å; H212-I221 WeakPolarHBondContact ND1-CD1 3.39Å; A216-I221 HydrophobicContact CB-CD1 4Å; A216-I221 HydrophobicContact CB-CG1 4.2Å; S217-I221 WeakPolarHBondContact O-CG1 3.4Å; S217-I221 PolarHBondContact O-N 3.33Å; L218-I221 HydrophobicContact CD2-CD1 4.4Å; L218-I221 PolarHBondContact O-N 3.25Å; I221-D224 PolarHBondContact O-N 2.66Å; I221-L225 HydrophobicContact CG2-CD1 3.86Å; I221-L225 HydrophobicContact CG2-CG 4.33Å; I221-L225 WeakPolarHBondContact O-CB 3.16Å; I221-L225 VanDerWaalsContact O-CG 3.23Å; I221-L225 WeakPolarHBondContact O-CG 3.2Å; I221-L225 PolarHBondContact O-N 2.97Å
222	R	98.7	Very high	98.1	Very high	104 Å²	104	62.4 Å²	62.4	39%	0.392	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-42.2	-179.7	-69.2	172.7	174.3	158.9	3.2	112.1	L218 E219 K220 K226 L247 N248	L218-R222 WeakPolarHBondContact O-CB 3.45Å; L218-R222 WeakPolarHBondContact O-CD 3.34Å; L218-R222 WeakPolarHBondContact O-CG 3.35Å; L218-R222 PolarHBondContact O-N 3.09Å; E219-R222 PolarHBondContact O-N 3.35Å; K220-R222 VanDerWaalsContact C-N 3.33Å; K220-R222 PolarHBondContact O-N 2.59Å; R222-K226 WeakPolarHBondContact O-CB 3.23Å; R222-K226 PolarHBondContact O-N 3.33Å; R222-K226 VanDerWaalsContact O-N 3.11Å; R222-L247 HydrophobicContact CB-CB 4.24Å; R222-L247 HydrophobicContact CB-CD1 4.42Å; R222-L247 HydrophobicContact CG-CB 3.81Å; R222-L247 WeakPolarHBondContact CG-O 3.23Å; R222-L247 PolarHBondContact NE-O 3.37Å; R222-L247 VanDerWaalsContact O-CD1 3.28Å; R222-L247 WeakPolarHBondContact O-CD1 3.36Å; R222-N248 PolarHBondContact NH2-O 2.98Å
223	A	98.5	Very high	98.1	Very high	55 Å²	55	64.4 Å²	64.4	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-46.8	176.7	0	0	0	0	0	111.4	E219 K220 K226 K227	E219-A223 WeakPolarHBondContact O-CB 3.42Å; E219-A223 PolarHBondContact O-N 3.23Å; K220-A223 PolarHBondContact O-N 3.08Å; A223-K226 PolarHBondContact O-N 3.34Å; A223-K227 VanDerWaalsContact O-CB 3.31Å; A223-K227 WeakPolarHBondContact O-CB 3.35Å; A223-K227 PolarHBondContact O-N 3.07Å
224	D	98.7	Very high	98.1	Very high	20 Å²	20	60 Å²	60	11%	0.107	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-45.8	-179.3	-73.7	-11.7	0	0	0	111.7	L176 W178 K220 I221 K226 K227 H228	L176-D224 HydrophobicContact CD2-CB 3.68Å; W178-D224 HydrophobicContact CZ2-CB 4.05Å; W178-D224 PolarHBondContact NE1-OD2 3.5Å; K220-D224 WeakPolarHBondContact CG-OD2 3.46Å; K220-D224 IonicContact NZ-OD1 2.77Å; K220-D224 IonicContact NZ-OD2 3.68Å; K220-D224 PolarHBondContact NZ-OD2 2.89Å; K220-D224 WeakPolarHBondContact O-CB 3.48Å; K220-D224 VanDerWaalsContact O-CG 3.27Å; K220-D224 PolarHBondContact O-N 3.2Å; I221-D224 PolarHBondContact O-N 2.66Å; D224-K226 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 3.46Å; D224-K227 PolarHBondContact O-N 3.05Å; D224-H228 WeakPolarHBondContact O-CB 3.35Å; D224-H228 PolarHBondContact O-N 3.1Å
225	L	98.8	Very high	98.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-58.9	-44.3	175.8	-74.1	176.5	0	0	0	111.7	L167 W178 I208 I221 V229 I230 L247	L167-L225 HydrophobicContact CD1-CD2 3.48Å; L167-L225 VanDerWaalsContact CD1-CD2 3.48Å; L167-L225 HydrophobicContact CG-CD2 4.46Å; W178-L225 HydrophobicContact CH2-CD2 3.94Å; W178-L225 HydrophobicContact CH2-CG 4.01Å; W178-L225 HydrophobicContact CZ2-CD2 4.45Å; W178-L225 HydrophobicContact CZ2-CG 4.34Å; I208-L225 HydrophobicContact CB-CD1 4.3Å; I208-L225 HydrophobicContact CG2-CD1 3.95Å; I208-L225 HydrophobicContact CG2-CD2 3.98Å; I221-L225 HydrophobicContact CG2-CD1 3.86Å; I221-L225 HydrophobicContact CG2-CG 4.33Å; I221-L225 WeakPolarHBondContact O-CB 3.16Å; I221-L225 VanDerWaalsContact O-CG 3.23Å; I221-L225 WeakPolarHBondContact O-CG 3.2Å; I221-L225 PolarHBondContact O-N 2.97Å; L225-V229 HydrophobicContact CD2-CG2 4.08Å; L225-V229 VanDerWaalsContact O-CB 3.28Å; L225-V229 WeakPolarHBondContact O-CB 3.48Å; L225-V229 PolarHBondContact O-N 3.42Å; L225-I230 PolarHBondContact O-N 3.04Å; L225-L247 HydrophobicContact CB-CD1 4.16Å; L225-L247 HydrophobicContact CB-CD2 4.49Å; L225-L247 HydrophobicContact CD1-CB 4.28Å
226	K	98.4	Very high	98.1	Very high	92 Å²	92	57.6 Å²	57.6	40%	0.4	29%	0.289	S	S	.	.	I	π-helix	trans	-64.4	-48.8	178.3	-170.5	171.2	-176.1	176.9	0	111.4	R222 A223 D224 N231 L247	R222-K226 WeakPolarHBondContact O-CB 3.23Å; R222-K226 PolarHBondContact O-N 3.33Å; R222-K226 VanDerWaalsContact O-N 3.11Å; A223-K226 PolarHBondContact O-N 3.34Å; D224-K226 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 3.46Å; K226-N231 VanDerWaalsContact O-CG 3.23Å; K226-N231 PolarHBondContact O-N 3.08Å; K226-N231 PolarHBondContact O-OD1 3.46Å; K226-L247 HydrophobicContact CB-CD1 4.04Å
227	K	98.3	Very high	98.1	Very high	125 Å²	125	63.4 Å²	63.4	54%	0.543	32%	0.317	S	S	.	.	I	π-helix	trans	-71.9	-51.3	-174.1	-179.1	-179.3	172.1	-165.8	0	112.9	A223 D224	A223-K227 VanDerWaalsContact O-CB 3.31Å; A223-K227 WeakPolarHBondContact O-CB 3.35Å; A223-K227 PolarHBondContact O-N 3.07Å; D224-K227 PolarHBondContact O-N 3.05Å
228	H	98.6	Very high	98.1	Very high	46 Å²	46	61.3 Å²	61.3	21%	0.213	30%	0.301	C	S	.	.	I	π-helix	trans	-97.1	-18.8	-166.6	-64	-68	0	0	0	113.9	R166 L170 D224 E232	R166-H228 PolarHBondContact NE-O 3.17Å; L170-H228 HydrophobicContact CD1-CB 3.7Å; L170-H228 WeakPolarHBondContact CD1-O 3.5Å; D224-H228 WeakPolarHBondContact O-CB 3.35Å; D224-H228 PolarHBondContact O-N 3.1Å; H228-E232 WeakPolarHBondContact O-CG 3.35Å
229	V	98.7	Very high	98.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-108.7	-58.5	-179.3	-174	0	0	0	0	110.7	L163 R166 L167 L170 L176 I208 L225 I233	L163-V229 HydrophobicContact CB-CG1 4.34Å; L163-V229 HydrophobicContact CD2-CG1 3.95Å; L163-V229 WeakPolarHBondContact O-CG1 3.21Å; R166-V229 HydrophobicContact CB-CG1 4.33Å; R166-V229 HydrophobicContact CG-CG1 4.4Å; L167-V229 HydrophobicContact CB-CG1 4.32Å; L167-V229 HydrophobicContact CB-CG2 4.2Å; L170-V229 HydrophobicContact CD1-CG2 4.13Å; L176-V229 HydrophobicContact CD1-CG2 4.16Å; I208-V229 HydrophobicContact CD1-CG1 4.22Å; L225-V229 HydrophobicContact CD2-CG2 4.08Å; L225-V229 VanDerWaalsContact O-CB 3.28Å; L225-V229 WeakPolarHBondContact O-CB 3.48Å; L225-V229 PolarHBondContact O-N 3.42Å; V229-I233 WeakPolarHBondContact O-CB 3.45Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.08Å; V229-I233 PolarHBondContact O-N 3.32Å
230	I	98.7	Very high	98	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-71.5	-52.8	-172.4	-69.6	167.5	0	0	0	112.1	L163 I206 I208 L225 E232 I233 V234 M239 F245 L247	L163-I230 HydrophobicContact CD2-CB 4.45Å; L163-I230 HydrophobicContact CD2-CG1 3.89Å; I206-I230 HydrophobicContact CD1-CG1 4.42Å; I206-I230 HydrophobicContact CD1-CG2 3.78Å; I206-I230 HydrophobicContact CG2-CD1 3.86Å; I206-I230 HydrophobicContact CG2-CG1 4.22Å; I208-I230 HydrophobicContact CD1-CD1 3.86Å; I208-I230 HydrophobicContact CD1-CG1 3.78Å; L225-I230 PolarHBondContact O-N 3.04Å; I230-E232 PolarHBondContact O-N 2.97Å; I230-I233 PolarHBondContact O-N 2.94Å; I230-I233 VanDerWaalsContact O-N 3.16Å; I230-V234 HydrophobicContact CG2-CG2 4.26Å; I230-V234 PolarHBondContact O-N 3.39Å; I230-M239 HydrophobicContact CG2-SD 4.02Å; I230-F245 HydrophobicContact CD1-CD1 3.98Å; I230-F245 HydrophobicContact CD1-CE1 4.45Å; I230-F245 HydrophobicContact CG2-CD1 4.37Å; I230-F245 HydrophobicContact CG2-CE1 3.78Å; I230-L247 HydrophobicContact CD1-CD1 4.37Å; I230-L247 HydrophobicContact CD1-CD2 3.61Å
231	N	98.1	Very high	98	Very high	65 Å²	65	58.3 Å²	58.3	35%	0.348	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-25.1	-175.9	-71.5	-10.1	0	0	0	113.5	K226	K226-N231 VanDerWaalsContact O-CG 3.23Å; K226-N231 PolarHBondContact O-N 3.08Å; K226-N231 PolarHBondContact O-OD1 3.46Å
232	E	98	Very high	97.9	Very high	124 Å²	124	61.3 Å²	61.3	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-80.6	-29.4	177.9	-65.4	-64	143.5	0	0	112.6	H228 I230	H228-E232 WeakPolarHBondContact O-CG 3.35Å; I230-E232 PolarHBondContact O-N 2.97Å
233	I	98.4	Very high	97.9	Very high	43 Å²	43	56.8 Å²	56.8	22%	0.221	32%	0.319	C	S	.	.	H	α-helix	trans	-102.6	-37.3	-171.2	-65.8	-59.2	0	0	0	113	L159 K162 L163 R166 V229 I230 P235	L159-I233 HydrophobicContact CD2-CG2 4.47Å; K162-I233 HydrophobicContact CB-CD1 4.48Å; K162-I233 HydrophobicContact CB-CG2 3.47Å; K162-I233 VanDerWaalsContact CB-CG2 3.47Å; L163-I233 HydrophobicContact CD2-CB 4.06Å; L163-I233 HydrophobicContact CD2-CG2 4.1Å; L163-I233 HydrophobicContact CG-CG2 4.19Å; R166-I233 HydrophobicContact CB-CD1 3.81Å; R166-I233 HydrophobicContact CB-CG1 3.67Å; R166-I233 HydrophobicContact CG-CD1 4.11Å; R166-I233 HydrophobicContact CG-CG1 3.89Å; V229-I233 WeakPolarHBondContact O-CB 3.45Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.08Å; V229-I233 PolarHBondContact O-N 3.32Å; I230-I233 PolarHBondContact O-N 2.94Å; I230-I233 VanDerWaalsContact O-N 3.16Å; I233-P235 WeakPolarHBondContact O-CD 3.33Å
234	V	98.3	Very high	97.9	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.012	32%	0.317	C	S	.	.	S	Bend	trans	-90	120.9	-175.8	-174	0	0	0	0	109	L159 L163 V203 I206 I230 Q236 M239	L159-V234 HydrophobicContact CD2-CG2 4.47Å; L163-V234 HydrophobicContact CD2-CG2 4.23Å; V203-V234 HydrophobicContact CG2-CG1 3.83Å; I206-V234 HydrophobicContact CD1-CG2 3.79Å; I230-V234 HydrophobicContact CG2-CG2 4.26Å; I230-V234 PolarHBondContact O-N 3.39Å; V234-Q236 PolarHBondContact O-N 2.96Å; V234-M239 HydrophobicContact CB-CE 3.98Å; V234-M239 HydrophobicContact CB-CG 4.38Å; V234-M239 HydrophobicContact CB-SD 3.83Å; V234-M239 HydrophobicContact CG1-CE 4.14Å; V234-M239 HydrophobicContact CG1-CG 3.58Å; V234-M239 HydrophobicContact CG1-SD 3.69Å; V234-M239 WeakPolarHBondContact O-CE 3.32Å
235	P	96.8	Very high	97.9	Very high	55 Å²	55	60.7 Å²	60.7	36%	0.357	33%	0.325	S	S	.	.			trans	-54.5	130.1	175.9	-26.4	34.9	0	0	0	111.5	I233 N237 L238	I233-P235 WeakPolarHBondContact O-CD 3.33Å; P235-N237 WeakPolarHBondContact CB-OD1 3.49Å; P235-N237 PolarHBondContact O-N 3.27Å; P235-L238 HydrophobicContact CB-CD1 4.15Å; P235-L238 HydrophobicContact CB-CG 4.33Å; P235-L238 HydrophobicContact CG-CD1 4.05Å; P235-L238 WeakPolarHBondContact O-CB 3.38Å; P235-L238 PolarHBondContact O-N 3.36Å
236	Q	95.7	Very high	97.9	Very high	115 Å²	115	66 Å²	66	54%	0.537	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-60.8	-31.3	-174.6	-69.3	-64	-30.1	0	0	112.7	V234 L238 M239	V234-Q236 PolarHBondContact O-N 2.96Å; Q236-L238 PolarHBondContact O-N 3.25Å; Q236-M239 PolarHBondContact O-N 3.26Å; Q236-M239 VanDerWaalsContact O-N 3.11Å; Q236-M239 VanDerWaalsContact O-O 3.06Å
237	N	96.6	Very high	97.9	Very high	136 Å²	136	62.3 Å²	62.3	73%	0.727	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-68.5	-11.8	176.1	65.8	-58	0	0	0	114.1	P235	P235-N237 WeakPolarHBondContact CB-OD1 3.49Å; P235-N237 PolarHBondContact O-N 3.27Å
238	L	97.5	Very high	97.9	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.11	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-97.8	-4.9	173.5	-65.9	175	0	0	0	112.7	L155 R202 V203 P235 Q236	L155-L238 HydrophobicContact CD2-CD1 3.78Å; R202-L238 CarbonylContact C-O 3.59Å; R202-L238 WeakPolarHBondContact CA-O 3.19Å; R202-L238 WeakPolarHBondContact CB-O 3.46Å; V203-L238 HydrophobicContact CG2-CB 4.24Å; V203-L238 PolarHBondContact N-O 3Å; P235-L238 HydrophobicContact CB-CD1 4.15Å; P235-L238 HydrophobicContact CB-CG 4.33Å; P235-L238 HydrophobicContact CG-CD1 4.05Å; P235-L238 WeakPolarHBondContact O-CB 3.38Å; P235-L238 PolarHBondContact O-N 3.36Å; Q236-L238 PolarHBondContact O-N 3.25Å
239	M	97.6	Very high	97.9	Very high	27 Å²	27	57.4 Å²	57.4	13%	0.133	32%	0.315	C	S	.	.			trans	-110.4	146.8	177	-66	-172.3	-67.3	0	0	110.4	I230 V234 Q236 T243 F245	I230-M239 HydrophobicContact CG2-SD 4.02Å; V234-M239 HydrophobicContact CB-CE 3.98Å; V234-M239 HydrophobicContact CB-CG 4.38Å; V234-M239 HydrophobicContact CB-SD 3.83Å; V234-M239 HydrophobicContact CG1-CE 4.14Å; V234-M239 HydrophobicContact CG1-CG 3.58Å; V234-M239 HydrophobicContact CG1-SD 3.69Å; V234-M239 WeakPolarHBondContact O-CE 3.32Å; Q236-M239 PolarHBondContact O-N 3.26Å; Q236-M239 VanDerWaalsContact O-N 3.11Å; Q236-M239 VanDerWaalsContact O-O 3.06Å; M239-T243 HydrophobicContact CG-CG2 4.49Å; M239-F245 HydrophobicContact SD-CE1 4.27Å; M239-F245 HydrophobicContact SD-CZ 4.19Å
240	D	97	Very high	97.8	Very high	77 Å²	77	63.2 Å²	63.2	41%	0.412	35%	0.354	S	S	.	.			trans	-143.5	-176.5	173.6	65.1	22.4	0	0	0	111.4	R202 A242 T243	R202-D240 WeakPolarHBondContact CD-OD2 3.5Å; R202-D240 IonicContact CZ-OD1 3.89Å; R202-D240 IonicContact CZ-OD2 3.65Å; R202-D240 IonicContact NE-OD1 2.79Å; R202-D240 PolarHBondContact NE-OD1 3.39Å; R202-D240 IonicContact NE-OD2 3.08Å; R202-D240 PolarHBondContact NE-OD2 2.63Å; R202-D240 IonicContact NH2-OD1 3.2Å; R202-D240 PolarHBondContact NH2-OD1 3.13Å; R202-D240 IonicContact NH2-OD2 2.66Å; D240-A242 PolarHBondContact O-N 2.98Å; D240-A242 VanDerWaalsContact O-N 3.11Å; D240-A242 WeakPolarHBondContact OD1-CA 3.31Å; D240-A242 WeakPolarHBondContact OD1-CB 3.49Å; D240-A242 PolarHBondContact OD1-N 2.93Å; D240-T243 PolarHBondContact N-OG1 3.09Å; D240-T243 VanDerWaalsContact N-OG1 3.1Å; D240-T243 WeakPolarHBondContact O-CB 3.18Å; D240-T243 PolarHBondContact O-N 3.1Å; D240-T243 PolarHBondContact O-OG1 2.88Å; D240-T243 PolarHBondContact OD1-N 3.39Å; D240-T243 VanDerWaalsContact OD1-N 3.16Å
241	A	97.4	Very high	97.7	Very high	117 Å²	117	64 Å²	64	97%	0.967	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.9	180	0	0	0	0	0	113.9
242	A	97.8	Very high	97.6	Very high	63 Å²	63	66.3 Å²	66.3	52%	0.521	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.5	177.8	0	0	0	0	0	113.1	D240 K244	D240-A242 PolarHBondContact O-N 2.98Å; D240-A242 VanDerWaalsContact O-N 3.11Å; D240-A242 WeakPolarHBondContact OD1-CA 3.31Å; D240-A242 WeakPolarHBondContact OD1-CB 3.49Å; D240-A242 PolarHBondContact OD1-N 2.93Å; A242-K244 PolarHBondContact O-N 2.84Å
243	T	98.6	Very high	97.6	Very high	10 Å²	10	62.3 Å²	62.3	6%	0.061	36%	0.356	C	S	.	.			trans	-64.3	122.9	175.9	-59.9	0	0	0	0	110.1	R202 V203 M239 D240 F245	R202-T243 VanDerWaalsContact NH2-CA 3.33Å; R202-T243 PolarHBondContact NH2-OG1 3.09Å; V203-T243 HydrophobicContact CG1-CG2 4.29Å; V203-T243 WeakPolarHBondContact O-CG2 3.31Å; V203-T243 PolarHBondContact O-OG1 3.39Å; M239-T243 HydrophobicContact CG-CG2 4.49Å; D240-T243 PolarHBondContact N-OG1 3.09Å; D240-T243 VanDerWaalsContact N-OG1 3.1Å; D240-T243 WeakPolarHBondContact O-CB 3.18Å; D240-T243 PolarHBondContact O-N 3.1Å; D240-T243 PolarHBondContact O-OG1 2.88Å; D240-T243 PolarHBondContact OD1-N 3.39Å; D240-T243 VanDerWaalsContact OD1-N 3.16Å; T243-F245 HydrophobicContact CG2-CE1 3.79Å; T243-F245 HydrophobicContact CG2-CE2 4.03Å; T243-F245 HydrophobicContact CG2-CZ 3.53Å; T243-F245 WeakPolarHBondContact O-CD2 3.48Å; T243-F245 VanDerWaalsContact O-CE2 3.31Å; T243-F245 WeakPolarHBondContact O-CE2 3.39Å
244	K	98.7	Very high	97.5	Very high	95 Å²	95	62.7 Å²	62.7	41%	0.413	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.5	-178.4	-62.3	176.2	-176.3	172.4	0	110.5	H204 T205 I206 A242 Y246	H204-K244 PolarHBondContact O-N 3.44Å; T205-K244 CarbonylContact C-O 3.57Å; T205-K244 WeakPolarHBondContact CA-O 3.29Å; T205-K244 HydrophobicContact CG2-CB 4.24Å; I206-K244 PolarHBondContact N-O 3.38Å; A242-K244 PolarHBondContact O-N 2.84Å; K244-Y246 HydrophobicContact CB-CE2 3.89Å; K244-Y246 HydrophobicContact CD-CE2 4.44Å
245	F	98.7	Very high	97.3	Very high	62 Å²	62	65.6 Å²	65.6	27%	0.272	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.6	177.6	-55.2	-80.2	0	0	0	110.2	I206 I230 M239 T243 L247	I206-F245 HydrophobicContact CB-CD1 4.23Å; I206-F245 HydrophobicContact CD1-CD1 4.4Å; I206-F245 HydrophobicContact CD1-CE1 4.04Å; I206-F245 WeakPolarHBondContact O-CA 3.23Å; I230-F245 HydrophobicContact CD1-CD1 3.98Å; I230-F245 HydrophobicContact CD1-CE1 4.45Å; I230-F245 HydrophobicContact CG2-CD1 4.37Å; I230-F245 HydrophobicContact CG2-CE1 3.78Å; M239-F245 HydrophobicContact SD-CE1 4.27Å; M239-F245 HydrophobicContact SD-CZ 4.19Å; T243-F245 HydrophobicContact CG2-CE1 3.79Å; T243-F245 HydrophobicContact CG2-CE2 4.03Å; T243-F245 HydrophobicContact CG2-CZ 3.53Å; T243-F245 WeakPolarHBondContact O-CD2 3.48Å; T243-F245 VanDerWaalsContact O-CE2 3.31Å; T243-F245 WeakPolarHBondContact O-CE2 3.39Å; F245-L247 HydrophobicContact CB-CG 4.32Å
246	Y	98.7	Very high	97.3	Very high	112 Å²	112	63 Å²	63	44%	0.439	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	95.1	174.4	-64	-82.2	0	0	0	109.2	T205 I206 V207 I208 K244	T205-Y246 HydrophobicContact CG2-CD2 3.54Å; T205-Y246 HydrophobicContact CG2-CE2 3.68Å; I206-Y246 PolarHBondContact O-N 2.77Å; V207-Y246 VanDerWaalsContact CA-O 3.29Å; V207-Y246 WeakPolarHBondContact CA-O 3.49Å; V207-Y246 WeakPolarHBondContact CG1-O 3.29Å; V207-Y246 HydrophobicContact CG2-CD2 4.32Å; I208-Y246 PolarHBondContact N-O 3.35Å; K244-Y246 HydrophobicContact CB-CE2 3.89Å; K244-Y246 HydrophobicContact CD-CE2 4.44Å
247	L	98.7	Very high	97.3	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.073	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.3	-172.1	-54.9	-178.6	0	0	0	109.6	I208 R222 L225 K226 I230 F245	I208-L247 HydrophobicContact CB-CD2 4.04Å; I208-L247 HydrophobicContact CD1-CD2 4.38Å; I208-L247 HydrophobicContact CG1-CD2 4.25Å; R222-L247 HydrophobicContact CB-CB 4.24Å; R222-L247 HydrophobicContact CB-CD1 4.42Å; R222-L247 HydrophobicContact CG-CB 3.81Å; R222-L247 WeakPolarHBondContact CG-O 3.23Å; R222-L247 PolarHBondContact NE-O 3.37Å; R222-L247 VanDerWaalsContact O-CD1 3.28Å; R222-L247 WeakPolarHBondContact O-CD1 3.36Å; L225-L247 HydrophobicContact CB-CD1 4.16Å; L225-L247 HydrophobicContact CB-CD2 4.49Å; L225-L247 HydrophobicContact CD1-CB 4.28Å; K226-L247 HydrophobicContact CB-CD1 4.04Å; I230-L247 HydrophobicContact CD1-CD1 4.37Å; I230-L247 HydrophobicContact CD1-CD2 3.61Å; F245-L247 HydrophobicContact CB-CG 4.32Å
248	N	98.4	Very high	97.3	Very high	2 Å²	2	51 Å²	51	1%	0.011	30%	0.301	C	S	.	.	S	Bend	trans	45.3	62.8	-163.8	-75.9	26.9	0	0	0	111.6	I208 S209 A210 H212 L218 R222 C250 G251	I208-N248 PolarHBondContact O-N 3Å; I208-N248 PolarHBondContact O-OD1 2.88Å; S209-N248 WeakPolarHBondContact CA-OD1 3.44Å; A210-N248 PolarHBondContact N-OD1 3.49Å; A210-N248 PolarHBondContact O-ND2 3.37Å; H212-N248 PolarHBondContact CD2-ND2 3.36Å; L218-N248 HydrophobicContact CD2-CB 4.2Å; R222-N248 PolarHBondContact NH2-O 2.98Å; N248-C250 VanDerWaalsContact C-N 3.27Å; N248-C250 PolarHBondContact O-N 2.63Å; N248-G251 PolarHBondContact O-N 3.47Å; N248-G251 VanDerWaalsContact O-N 3.09Å
249	P	97.9	Very high	97.2	Very high	65 Å²	65	56 Å²	56	42%	0.422	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.3	-175.9	26.4	-34.1	0	0	0	113.2	V207 G251	V207-P249 HydrophobicContact CG1-CG 4.06Å; P249-G251 PolarHBondContact O-N 3.48Å
250	C	95.6	Very high	97	Very high	122 Å²	122	57.1 Å²	57.1	82%	0.824	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	0.9	175	-60.2	0	0	0	0	113.6	N248	N248-C250 VanDerWaalsContact C-N 3.27Å; N248-C250 PolarHBondContact O-N 2.63Å
251	G	97.3	Very high	97	Very high	18 Å²	18	56.5 Å²	56.5	19%	0.186	33%	0.325	C	S	.	.	S	Bend	trans	81.4	-131.4	-173	0	0	0	0	0	111.5	L218 N248 P249	L218-G251 WeakPolarHBondContact CD2-O 3.48Å; N248-G251 PolarHBondContact O-N 3.47Å; N248-G251 VanDerWaalsContact O-N 3.09Å; P249-G251 PolarHBondContact O-N 3.48Å
252	N	96.8	Very high	97	Very high	112 Å²	112	53.3 Å²	53.3	60%	0.599	30%	0.299	S	S	*	.			trans	-69.8	133.6	-175.3	-71.2	-25.8	0	0	0	111.7
253	F	97.5	Very high	97.1	Very high	40 Å²	40	50.3 Å²	50.3	18%	0.175	27%	0.274	C	S	.	.			trans	-128.5	70.7	173.3	-173.7	-161.3	0	0	0	109	D182 Q211 H212 V255	D182-F253 HydrophobicContact CB-CZ 4.28Å; Q211-F253 CarbonylContact C-O 3.57Å; Q211-F253 WeakPolarHBondContact CA-O 3.44Å; Q211-F253 HydrophobicContact CB-CD1 4.18Å; Q211-F253 HydrophobicContact CB-CE1 4.16Å; Q211-F253 HydrophobicContact CB-CG 4.47Å; Q211-F253 HydrophobicContact CB-CZ 4.46Å; Q211-F253 WeakPolarHBondContact CG-O 3.16Å; H212-F253 PolarHBondContact N-O 2.83Å; H212-F253 PolarHBondContact NE2-N 2.92Å; F253-V255 WeakPolarHBondContact CD2-O 3.47Å; F253-V255 WeakPolarHBondContact CE2-O 3.45Å
254	T	96.5	Very high	97.1	Very high	51 Å²	51	52.9 Å²	52.9	31%	0.313	29%	0.287	S	S	.	.			trans	-93.3	-24.2	-175.5	55.3	0	0	0	0	113.1	H212 A214	H212-T254 WeakPolarHBondContact O-CA 3.48Å; A214-T254 HydrophobicContact CB-CG2 3.99Å
255	V	94.4	Very high	97.1	Very high	64 Å²	64	48.9 Å²	48.9	39%	0.388	27%	0.271	S	S	.	.	S	Bend	trans	-106.9	117.3	175.8	-176.4	0	0	0	0	108.1	F253 R259	F253-V255 WeakPolarHBondContact CD2-O 3.47Å; F253-V255 WeakPolarHBondContact CE2-O 3.45Å; V255-R259 HydrophobicContact CG1-CG 3.96Å
256	G	95.3	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.265	C	S	.	.			trans	-140.8	-171.8	-179.5	0	0	0	0	0	112	Q211	Q211-G256 VanDerWaalsContact NE2-N 3.17Å
257	G	95.9	Very high	97.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	66.1	-158.8	-179.5	0	0	0	0	0	113.4	D182 R259 S260 D261	D182-G257 PolarHBondContact OD2-N 3.45Å; G257-R259 PolarHBondContact O-N 2.75Å; G257-S260 PolarHBondContact O-N 2.87Å; G257-D261 PolarHBondContact O-N 2.91Å; G257-D261 VanDerWaalsContact O-N 3.16Å
258	P	96.7	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-57.6	-24.2	-175.9	-27.5	35	0	0	0	115.6	P33 M36 A63 K64 T65 F102 D261	P33-P258 HydrophobicContact CB-CG 4.26Å; M36-P258 HydrophobicContact CE-CG 3.88Å; M36-P258 HydrophobicContact SD-CG 3.8Å; A63-P258 HydrophobicContact CB-CB 4.22Å; A63-P258 HydrophobicContact CB-CG 4.1Å; K64-P258 PolarHBondContact NZ-O 3.4Å; T65-P258 PolarHBondContact N-O 3.29Å; F102-P258 HydrophobicContact CB-CG 4.45Å; F102-P258 HydrophobicContact CD1-CG 4.42Å; F102-P258 HydrophobicContact CD2-CB 3.67Å; F102-P258 HydrophobicContact CD2-CG 3.8Å; F102-P258 HydrophobicContact CE2-CB 3.82Å; F102-P258 HydrophobicContact CE2-CG 4.06Å; F102-P258 HydrophobicContact CG-CB 4.34Å; F102-P258 HydrophobicContact CG-CG 3.98Å; F102-P258 HydrophobicContact CZ-CG 4.49Å; P258-D261 CarbonylContact C-O 3.56Å; P258-D261 VanDerWaalsContact CA-O 3.27Å; P258-D261 WeakPolarHBondContact CA-O 3.44Å; P258-D261 VanDerWaalsContact O-O 3.08Å
259	R	95.4	Very high	97.1	Very high	126 Å²	126	51.3 Å²	51.3	48%	0.475	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-68.4	-37.7	175.2	174.5	176.5	-175	-179.9	3.3	112.6	G101 V255 G257	G101-R259 WeakPolarHBondContact O-CB 3.5Å; V255-R259 HydrophobicContact CG1-CG 3.96Å; G257-R259 PolarHBondContact O-N 2.75Å
260	S	94.6	Very high	97.2	Very high	49 Å²	49	51.7 Å²	51.7	34%	0.343	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-60.5	173.9	-174.2	0	0	0	0	109.7	K64 G257	K64-S260 PolarHBondContact NZ-O 3.35Å; G257-S260 PolarHBondContact O-N 2.87Å
261	D	96.2	Very high	97.3	Very high	64 Å²	64	46.2 Å²	46.2	34%	0.342	24%	0.244	S	C	.	.	S	Bend	trans	-125.5	149.3	-165	-59.7	-2.6	0	0	0	109.8	P33 G257 P258	P33-D261 HydrophobicContact CG-CB 4Å; G257-D261 PolarHBondContact O-N 2.91Å; G257-D261 VanDerWaalsContact O-N 3.16Å; P258-D261 CarbonylContact C-O 3.56Å; P258-D261 VanDerWaalsContact CA-O 3.27Å; P258-D261 WeakPolarHBondContact CA-O 3.44Å; P258-D261 VanDerWaalsContact O-O 3.08Å
262	A	98.2	Very high	97.4	Very high	51 Å²	51	45.4 Å²	45.4	42%	0.421	24%	0.236	S	C	.	.			trans	-71	148.3	170.9	0	0	0	0	0	110	A63 K64	A63-A262 CarbonylContact O-C 3.54Å; A63-A262 WeakPolarHBondContact O-CA 3.28Å; K64-A262 HydrophobicContact CD-CB 3.98Å
263	G	98.7	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.1	174.1	0	0	0	0	0	111.3	D34 C37 V62 A63	D34-G263 VanDerWaalsContact OD1-CA 3.28Å; D34-G263 WeakPolarHBondContact OD1-CA 3.3Å; C37-G263 PolarHBondContact SG-O 3.09Å; C37-G263 VanDerWaalsContact SG-O 3.33Å; V62-G263 CarbonylContact C-O 3.52Å; V62-G263 WeakPolarHBondContact CA-O 3.16Å; A63-G263 PolarHBondContact N-O 3.28Å; A63-G263 PolarHBondContact O-N 2.93Å
264	L	98.8	Very high	97.5	Very high	64 Å²	64	38.5 Å²	38.5	34%	0.335	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.6	168.9	-54.7	80.7	0	0	0	110.4	D34 T61 V62 R267	D34-L264 PolarHBondContact OD1-N 3.3Å; T61-L264 WeakPolarHBondContact O-CA 2.99Å; V62-L264 HydrophobicContact CG1-CG 4.49Å; V62-L264 HydrophobicContact CG2-CG 4.44Å; L264-R267 HydrophobicContact CB-CG 3.73Å
265	T	98.9	Very high	97.6	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	142.3	172.7	-56.7	0	0	0	0	110	S41 E60 T61 R267	S41-T265 PolarHBondContact OG-OG1 2.68Å; S41-T265 VanDerWaalsContact OG-OG1 3.09Å; E60-T265 VanDerWaalsContact OE2-CB 3.24Å; E60-T265 WeakPolarHBondContact OE2-CB 3.47Å; E60-T265 WeakPolarHBondContact OE2-CG2 3.43Å; T61-T265 WeakPolarHBondContact CA-OG1 3.33Å; T61-T265 WeakPolarHBondContact CB-OG1 3.39Å; T61-T265 PolarHBondContact N-OG1 2.76Å; T61-T265 PolarHBondContact O-N 3.37Å; T61-T265 PolarHBondContact O-OG1 3.21Å; T61-T265 VanDerWaalsContact O-OG1 3.08Å; T265-R267 VanDerWaalsContact C-N 3.3Å; T265-R267 PolarHBondContact O-N 3.02Å
266	G	98.6	Very high	97.8	Very high	14 Å²	14	35.5 Å²	35.5	14%	0.144	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	19.9	176	0	0	0	0	0	115.3	D38 I269 A284	D38-G266 PolarHBondContact OD1-N 2.89Å; G266-I269 VanDerWaalsContact O-CG2 3.3Å; G266-I269 WeakPolarHBondContact O-CG2 3.02Å; G266-A284 VanDerWaalsContact CA-CB 3.42Å
267	R	98.7	Very high	98	Very high	155 Å²	155	36.1 Å²	36.1	59%	0.585	20%	0.195	S	C	*	.	S	Bend	trans	-98	9.9	175.5	-65.1	-58.4	-56.4	-73.2	-2.3	114.3	D34 L264 T265	D34-R267 HydrophobicContact CB-CB 4.18Å; L264-R267 HydrophobicContact CB-CG 3.73Å; T265-R267 VanDerWaalsContact C-N 3.3Å; T265-R267 PolarHBondContact O-N 3.02Å
268	K	98.7	Very high	98	Very high	34 Å²	34	37.3 Å²	37.3	15%	0.148	21%	0.207	C	C	.	.			trans	-129.7	27.4	178.9	-68.5	-68.9	170.3	-74.4	0	113.4	V28 H32 D34 K35 I270 V271 D272	V28-K268 HydrophobicContact CG1-CD 4.41Å; V28-K268 HydrophobicContact CG2-CD 3.71Å; V28-K268 HydrophobicContact CG2-CG 3.98Å; H32-K268 VanDerWaalsContact CE1-CE 3.45Å; H32-K268 WeakPolarHBondContact CE1-CE 3.17Å; D34-K268 HydrophobicContact CB-CG 3.76Å; D34-K268 IonicContact OD2-NZ 3.83Å; D34-K268 PolarHBondContact OD2-NZ 2.79Å; K35-K268 HydrophobicContact CD-CB 4.29Å; K268-I270 VanDerWaalsContact C-N 3.28Å; K268-I270 PolarHBondContact O-N 3.02Å; K268-I270 VanDerWaalsContact O-N 3.11Å; K268-V271 HydrophobicContact CB-CB 4.21Å; K268-V271 HydrophobicContact CD-CG2 4.03Å; K268-V271 CarbonylContact O-C 3.58Å; K268-V271 WeakPolarHBondContact O-CA 3.37Å; K268-V271 VanDerWaalsContact O-CB 3.28Å; K268-V271 WeakPolarHBondContact O-CB 3.31Å; K268-V271 PolarHBondContact O-N 2.76Å; K268-D272 PolarHBondContact O-N 3.13Å
269	I	98.7	Very high	98.1	Very high	37 Å²	37	38.9 Å²	38.9	19%	0.19	22%	0.221	C	C	.	.	H	α-helix	trans	-55.9	-33.1	-175.4	69.5	-170.4	0	0	0	115.1	G266 D272 T273 A284	G266-I269 VanDerWaalsContact O-CG2 3.3Å; G266-I269 WeakPolarHBondContact O-CG2 3.02Å; I269-D272 PolarHBondContact O-N 3.14Å; I269-T273 WeakPolarHBondContact O-CG2 3.47Å; I269-T273 PolarHBondContact O-N 2.98Å; I269-T273 PolarHBondContact O-OG1 2.85Å; I269-A284 HydrophobicContact CG2-CB 4.03Å
270	I	98.8	Very high	98.3	Very high	74 Å²	74	35.1 Å²	35.1	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-76	-33.2	176	-59.1	-57.5	0	0	0	111.6	K268 D272 T273 G275 G276 H280	K268-I270 VanDerWaalsContact C-N 3.28Å; K268-I270 PolarHBondContact O-N 3.02Å; K268-I270 VanDerWaalsContact O-N 3.11Å; I270-D272 VanDerWaalsContact C-N 3.28Å; I270-T273 PolarHBondContact O-N 2.57Å; I270-T273 PolarHBondContact O-OG1 3.37Å; I270-G275 WeakPolarHBondContact O-CA 3.39Å; I270-G275 PolarHBondContact O-N 3.38Å; I270-G276 VanDerWaalsContact CG2-N 3.26Å; I270-H280 HydrophobicContact CD1-CB 3.55Å
271	V	98.7	Very high	98.4	Very high	7 Å²	7	34 Å²	34	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-67.9	-32.9	170.7	177.4	0	0	0	0	110.1	E26 H161 K268 T273	E26-V271 HydrophobicContact CG-CG2 4.42Å; H161-V271 PolarHBondContact CE1-O 3.43Å; H161-V271 PolarHBondContact NE2-O 2.94Å; K268-V271 HydrophobicContact CB-CB 4.21Å; K268-V271 HydrophobicContact CD-CG2 4.03Å; K268-V271 CarbonylContact O-C 3.58Å; K268-V271 WeakPolarHBondContact O-CA 3.37Å; K268-V271 VanDerWaalsContact O-CB 3.28Å; K268-V271 WeakPolarHBondContact O-CB 3.31Å; K268-V271 PolarHBondContact O-N 2.76Å; V271-T273 VanDerWaalsContact C-N 3.29Å; V271-T273 PolarHBondContact O-N 3.03Å
272	D	98.8	Very high	98.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-73.7	-20.5	178.9	-74	-37.2	0	0	0	115.2	K35 K268 I269 I270 F285 H382	K35-D272 VanDerWaalsContact CE-OD1 3.31Å; K35-D272 WeakPolarHBondContact CE-OD1 3.46Å; K35-D272 IonicContact NZ-OD1 3.85Å; K35-D272 PolarHBondContact NZ-OD1 2.93Å; K35-D272 IonicContact NZ-OD2 2.96Å; K35-D272 PolarHBondContact NZ-OD2 3.48Å; K268-D272 PolarHBondContact O-N 3.13Å; I269-D272 PolarHBondContact O-N 3.14Å; I270-D272 VanDerWaalsContact C-N 3.28Å; D272-F285 HydrophobicContact CB-CD2 3.99Å; D272-F285 HydrophobicContact CB-CE2 3.99Å; D272-H382 PolarHBondContact O-N 2.97Å; D272-H382 IonicContact OD1-CD2 2.61Å; D272-H382 PolarHBondContact OD1-CD2 3.26Å; D272-H382 IonicContact OD1-NE2 2.72Å
273	T	98.8	Very high	98.5	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.031	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-101.2	-172.4	52.7	0	0	0	0	111.8	M153 L157 I269 I270 V271 H280 F285 F383	M153-T273 WeakPolarHBondContact CE-O 3.47Å; L157-T273 WeakPolarHBondContact CD2-O 3.26Å; I269-T273 WeakPolarHBondContact O-CG2 3.47Å; I269-T273 PolarHBondContact O-N 2.98Å; I269-T273 PolarHBondContact O-OG1 2.85Å; I270-T273 PolarHBondContact O-N 2.57Å; I270-T273 PolarHBondContact O-OG1 3.37Å; V271-T273 VanDerWaalsContact C-N 3.29Å; V271-T273 PolarHBondContact O-N 3.03Å; T273-H280 PolarHBondContact OG1-CD2 2.83Å; T273-F285 HydrophobicContact CG2-CE2 3.48Å; T273-F285 VanDerWaalsContact CG2-CE2 3.48Å; T273-F285 HydrophobicContact CG2-CZ 3.41Å; T273-F285 VanDerWaalsContact CG2-CZ 3.41Å; T273-F383 HydrophobicContact CG2-CE2 3.78Å
274	Y	98.8	Very high	98.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	11	-165.8	-47.9	-66.4	0	0	0	112.9	F142 G143 Y144 M153 L157 G276 W277 F383	F142-Y274 PolarHBondContact O-OH 3.37Å; G143-Y274 VanDerWaalsContact CA-OH 3.31Å; G143-Y274 WeakPolarHBondContact CA-OH 3.44Å; Y144-Y274 HydrophobicContact CD1-CD1 4.13Å; Y144-Y274 HydrophobicContact CD1-CG 4.29Å; Y144-Y274 HydrophobicContact CG-CD1 4.5Å; Y144-Y274 HydrophobicContact CG-CG 4.47Å; Y144-Y274 PolarHBondContact N-OH 3.11Å; Y144-Y274 WeakPolarHBondContact O-CE1 3.15Å; M153-Y274 HydrophobicContact CE-CD1 4.38Å; M153-Y274 HydrophobicContact SD-CD1 4.38Å; L157-Y274 VanDerWaalsContact CD2-C 3.49Å; Y274-G276 VanDerWaalsContact C-N 3.28Å; Y274-G276 PolarHBondContact O-N 2.92Å; Y274-W277 VanDerWaalsContact CB-O 3.31Å; Y274-W277 WeakPolarHBondContact CB-O 3.28Å; Y274-W277 WeakPolarHBondContact O-CB 3.23Å; Y274-W277 PolarHBondContact O-N 2.89Å; Y274-F383 AromaticContact CD1-CD2 3.99Å; Y274-F383 HydrophobicContact CD1-CD2 3.99Å; Y274-F383 AromaticContact CE1-CD2 3.31Å; Y274-F383 HydrophobicContact CE1-CD2 3.31Å; Y274-F383 AromaticContact CE1-CE2 3.73Å; Y274-F383 HydrophobicContact CE1-CE2 3.73Å; Y274-F383 HydrophobicContact CE1-CG 4.14Å; Y274-F383 HydrophobicContact CE2-CD2 4.37Å; Y274-F383 AromaticContact CE2-CE2 3.99Å; Y274-F383 HydrophobicContact CE2-CE2 3.99Å; Y274-F383 AromaticContact CZ-CD2 3.52Å; Y274-F383 AromaticContact CZ-CE2 3.38Å; Y274-F383 WeakPolarHBondContact OH-CE2 3.45Å
275	G	98.5	Very high	98.5	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	31.8	167.8	0	0	0	0	0	113.4	S25 I270	S25-G275 WeakPolarHBondContact CB-O 3.32Å; S25-G275 PolarHBondContact OG-O 3.16Å; I270-G275 WeakPolarHBondContact O-CA 3.39Å; I270-G275 PolarHBondContact O-N 3.38Å
276	G	98.2	Very high	98.5	Very high	47 Å²	47	29 Å²	29	49%	0.485	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	-12.9	-176.7	0	0	0	0	0	114.2	I270 Y274	I270-G276 VanDerWaalsContact CG2-N 3.26Å; Y274-G276 VanDerWaalsContact C-N 3.28Å; Y274-G276 PolarHBondContact O-N 2.92Å
277	W	98.5	Very high	98.5	Very high	13 Å²	13	28.4 Å²	28.4	5%	0.049	18%	0.182	C	C	.	.	S	Bend	trans	-77.7	163.2	172.1	-66.6	96.6	0	0	0	112	F21 F23 Y144 P154 S156 Y191 C198 Y274 A279	F21-W277 AromaticContact CE2-CH2 3.93Å; F21-W277 HydrophobicContact CE2-CH2 3.93Å; F21-W277 HydrophobicContact CZ-CH2 4.12Å; F23-W277 HydrophobicContact CB-CH2 4.21Å; F23-W277 HydrophobicContact CB-CZ2 3.65Å; F23-W277 AromaticContact CD1-CD1 3.98Å; F23-W277 HydrophobicContact CD1-CD2 4.26Å; F23-W277 AromaticContact CD1-CE2 3.38Å; F23-W277 HydrophobicContact CD1-CH2 4.5Å; F23-W277 AromaticContact CD1-CZ2 3.54Å; F23-W277 HydrophobicContact CD1-CZ2 3.54Å; F23-W277 AromaticContact CD1-NE1 3.22Å; F23-W277 AromaticContact CD2-CH2 3.98Å; F23-W277 HydrophobicContact CD2-CH2 3.98Å; F23-W277 AromaticContact CD2-CZ2 3.81Å; F23-W277 HydrophobicContact CD2-CZ2 3.81Å; F23-W277 HydrophobicContact CD2-CZ3 4.46Å; F23-W277 AromaticContact CE1-CD1 3.51Å; F23-W277 HydrophobicContact CE1-CD2 4Å; F23-W277 AromaticContact CE1-CE2 3.55Å; F23-W277 HydrophobicContact CE1-CG 4.01Å; F23-W277 HydrophobicContact CE1-CZ2 4.14Å; F23-W277 AromaticContact CE1-NE1 3.25Å; F23-W277 HydrophobicContact CE2-CD2 4.33Å; F23-W277 HydrophobicContact CE2-CZ2 4.36Å; F23-W277 AromaticContact CG-CE2 3.7Å; F23-W277 AromaticContact CG-CH2 3.97Å; F23-W277 HydrophobicContact CG-CH2 3.97Å; F23-W277 AromaticContact CG-CZ2 3.37Å; F23-W277 HydrophobicContact CG-CZ2 3.37Å; F23-W277 HydrophobicContact CZ-CD2 4.04Å; F23-W277 AromaticContact CZ-CE2 3.99Å; F23-W277 HydrophobicContact CZ-CG 4.16Å; Y144-W277 HydrophobicContact CE1-CB 4.13Å; P154-W277 HydrophobicContact CB-CB 4.12Å; P154-W277 HydrophobicContact CB-CD2 4.22Å; P154-W277 HydrophobicContact CB-CG 3.58Å; P154-W277 HydrophobicContact CG-CB 3.64Å; P154-W277 HydrophobicContact CG-CG 3.69Å; S156-W277 PolarHBondContact OG-NE1 2.9Å; Y191-W277 HydrophobicContact CD2-CH2 4.42Å; Y191-W277 HydrophobicContact CD2-CZ2 4.08Å; Y191-W277 HydrophobicContact CE1-CZ2 4.29Å; Y191-W277 HydrophobicContact CE2-CH2 4.41Å; Y191-W277 AromaticContact CE2-CZ2 3.65Å; Y191-W277 HydrophobicContact CE2-CZ2 3.65Å; Y191-W277 AromaticContact CZ-CZ2 3.79Å; C198-W277 WeakPolarHBondContact SG-CH2 3.43Å; Y274-W277 VanDerWaalsContact CB-O 3.31Å; Y274-W277 WeakPolarHBondContact CB-O 3.28Å; Y274-W277 WeakPolarHBondContact O-CB 3.23Å; Y274-W277 PolarHBondContact O-N 2.89Å; W277-A279 PolarHBondContact O-N 3Å
278	G	97.7	Very high	98.5	Very high	25 Å²	25	22.2 Å²	22.2	26%	0.258	16%	0.159	S	C	.	.	S	Bend	trans	63.3	-122.2	-177	0	0	0	0	0	111
279	A	98.4	Very high	98.4	Very high	34 Å²	34	20.7 Å²	20.7	28%	0.281	15%	0.153	S	C	.	.			trans	-155.1	174.1	174.4	0	0	0	0	0	110	F142 W277 L318	F142-A279 HydrophobicContact CB-CB 4.39Å; F142-A279 WeakPolarHBondContact CB-O 3.36Å; F142-A279 HydrophobicContact CD1-CB 3.64Å; F142-A279 HydrophobicContact CD2-CB 3.79Å; F142-A279 HydrophobicContact CE1-CB 3.66Å; F142-A279 HydrophobicContact CE2-CB 3.8Å; F142-A279 HydrophobicContact CG-CB 3.68Å; F142-A279 HydrophobicContact CZ-CB 3.74Å; W277-A279 PolarHBondContact O-N 3Å; A279-L318 HydrophobicContact CB-CD1 4.3Å; A279-L318 HydrophobicContact CB-CD2 4.09Å
280	H	98.7	Very high	98.3	Very high	46 Å²	46	18.9 Å²	18.9	21%	0.213	14%	0.143	C	C	.	.			trans	-139.2	143.8	177.9	-162	-83.6	0	0	0	111.5	F142 I270 T273 G282 G283	F142-H280 VanDerWaalsContact CD2-C 3.44Å; I270-H280 HydrophobicContact CD1-CB 3.55Å; T273-H280 PolarHBondContact OG1-CD2 2.83Å; H280-G282 PolarHBondContact ND1-N 3.08Å; H280-G283 PolarHBondContact CE1-O 3.43Å
281	G	98	Very high	98.1	Very high	27 Å²	27	15.6 Å²	15.6	28%	0.278	13%	0.127	S	C	.	.			trans	-86.7	-24	-174	0	0	0	0	0	116.2	L140	L140-G281 WeakPolarHBondContact O-CA 3.42Å
282	G	98	Very high	97.9	Very high	52 Å²	52	16.5 Å²	16.5	54%	0.536	13%	0.13	S	C	.	.	S	Bend	trans	107.3	-24.9	-177.8	0	0	0	0	0	113.1	H280 A284	H280-G282 PolarHBondContact ND1-N 3.08Å; G282-A284 PolarHBondContact O-N 2.94Å
283	G	98	Very high	97.9	Very high	14 Å²	14	16.5 Å²	16.5	14%	0.144	13%	0.13	C	C	.	.			trans	-66.2	127.8	176.9	0	0	0	0	0	113.4	H280	H280-G283 PolarHBondContact CE1-O 3.43Å
284	A	98.6	Very high	97.8	Very high	14 Å²	14	17.5 Å²	17.5	12%	0.116	14%	0.135	C	C	.	.			trans	-76.9	160.1	168.5	0	0	0	0	0	111.9	G266 I269 G282 K288	G266-A284 VanDerWaalsContact CA-CB 3.42Å; I269-A284 HydrophobicContact CG2-CB 4.03Å; G282-A284 PolarHBondContact O-N 2.94Å; A284-K288 WeakPolarHBondContact O-CD 3.45Å; A284-K288 WeakPolarHBondContact O-CE 3.08Å; A284-K288 PolarHBondContact O-NZ 2.88Å
285	F	98.8	Very high	97.8	Very high	5 Å²	5	17.4 Å²	17.4	2%	0.022	14%	0.135	C	C	.	.			trans	-100	-57.8	-179.3	-53.8	-33.3	0	0	0	112.9	D272 T273 K288 D294 R295 A298 H382 F383	D272-F285 HydrophobicContact CB-CD2 3.99Å; D272-F285 HydrophobicContact CB-CE2 3.99Å; T273-F285 HydrophobicContact CG2-CE2 3.48Å; T273-F285 VanDerWaalsContact CG2-CE2 3.48Å; T273-F285 HydrophobicContact CG2-CZ 3.41Å; T273-F285 VanDerWaalsContact CG2-CZ 3.41Å; F285-K288 WeakPolarHBondContact O-CB 3.48Å; F285-K288 PolarHBondContact O-N 2.82Å; F285-D294 WeakPolarHBondContact CD1-O 3.37Å; F285-D294 VanDerWaalsContact CE1-O 3.26Å; F285-D294 WeakPolarHBondContact CE1-O 3.4Å; F285-R295 VanDerWaalsContact C-CZ 3.49Å; F285-R295 HydrophobicContact CD1-CB 4.48Å; F285-R295 PolarHBondContact O-NE 2.91Å; F285-R295 PolarHBondContact O-NH2 2.96Å; F285-A298 HydrophobicContact CE1-CB 3.67Å; F285-A298 HydrophobicContact CZ-CB 3.98Å; F285-H382 VanDerWaalsContact CB-CE1 3.46Å; F285-H382 WeakPolarHBondContact CB-CE1 3.44Å; F285-H382 HydrophobicContact CD2-CB 4.26Å; F285-H382 AromaticContact CD2-CD2 3.73Å; F285-H382 AromaticContact CD2-CE1 3.61Å; F285-H382 AromaticContact CD2-CG 3.55Å; F285-H382 AromaticContact CD2-ND1 3.44Å; F285-H382 WeakPolarHBondContact CD2-ND1 3.35Å; F285-H382 AromaticContact CD2-NE2 3.76Å; F285-H382 HydrophobicContact CE2-CB 4.32Å; F285-H382 AromaticContact CG-CE1 3.99Å; F285-H382 AromaticContact CG-ND1 4Å; F285-F383 HydrophobicContact CE2-CZ 4.35Å; F285-F383 HydrophobicContact CZ-CZ 4.31Å
286	S	98.8	Very high	97.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	140.4	-171.1	-45.5	0	0	0	0	113.6	D38 D42 K288	D38-S286 WeakPolarHBondContact CB-OG 3.22Å; D38-S286 VanDerWaalsContact OD1-CB 3.27Å; D38-S286 WeakPolarHBondContact OD1-CB 3.31Å; D38-S286 PolarHBondContact OD1-OG 3.35Å; D42-S286 WeakPolarHBondContact OD1-CA 3.38Å; S286-K288 VanDerWaalsContact C-N 3.27Å; S286-K288 PolarHBondContact O-N 3.22Å
287	G	98.6	Very high	97.8	Very high	1 Å²	1	15 Å²	15	1%	0.01	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	3.6	176.7	0	0	0	0	0	115.5	D42 V57 A58 C59	D42-G287 PolarHBondContact OD1-N 3.09Å; V57-G287 CarbonylContact C-O 3.59Å; V57-G287 WeakPolarHBondContact CG1-O 3.34Å; A58-G287 CarbonylContact C-O 3.5Å; A58-G287 VanDerWaalsContact CA-O 3.3Å; A58-G287 WeakPolarHBondContact CA-O 3.11Å; A58-G287 PolarHBondContact N-O 2.8Å; C59-G287 PolarHBondContact N-O 3.13Å; C59-G287 WeakPolarHBondContact O-CA 3.3Å
288	K	98.5	Very high	97.8	Very high	25 Å²	25	14.6 Å²	14.6	11%	0.109	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-108.5	128.5	-178.1	-60.8	-179.5	-178.9	174.1	0	112.2	L45 V57 A284 F285 S286 K292 D294 R295	L45-K288 VanDerWaalsContact CD2-O 3.3Å; L45-K288 WeakPolarHBondContact CD2-O 3.4Å; V57-K288 WeakPolarHBondContact O-CA 3.35Å; A284-K288 WeakPolarHBondContact O-CD 3.45Å; A284-K288 WeakPolarHBondContact O-CE 3.08Å; A284-K288 PolarHBondContact O-NZ 2.88Å; F285-K288 WeakPolarHBondContact O-CB 3.48Å; F285-K288 PolarHBondContact O-N 2.82Å; S286-K288 VanDerWaalsContact C-N 3.27Å; S286-K288 PolarHBondContact O-N 3.22Å; K288-K292 HydrophobicContact CB-CB 3.93Å; K288-K292 HydrophobicContact CB-CG 4.11Å; K288-K292 HydrophobicContact CD-CB 4.15Å; K288-K292 HydrophobicContact CD-CG 4.3Å; K288-K292 HydrophobicContact CG-CB 4.47Å; K288-K292 HydrophobicContact CG-CG 4.38Å; K288-D294 HydrophobicContact CD-CB 4.41Å; K288-D294 IonicContact NZ-OD2 2.94Å; K288-D294 PolarHBondContact NZ-OD2 2.84Å; K288-R295 WeakPolarHBondContact O-CD 3.23Å; K288-R295 PolarHBondContact O-NH1 2.72Å
289	D	97.4	Very high	97.9	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	10%	0.097	C	C	.	.			trans	-68.8	161.2	171.4	80.3	86.9	0	0	0	111.7	L45 K56 V57 S291 K292	L45-D289 HydrophobicContact CD1-CB 3.94Å; K56-D289 VanDerWaalsContact CA-OD2 3.3Å; K56-D289 WeakPolarHBondContact CA-OD2 3.2Å; K56-D289 IonicContact NZ-OD1 3.77Å; V57-D289 HydrophobicContact CB-CB 4.26Å; V57-D289 PolarHBondContact N-OD2 2.68Å; V57-D289 PolarHBondContact O-N 3.02Å; D289-S291 PolarHBondContact O-N 3.33Å; D289-S291 WeakPolarHBondContact OD1-CB 3.16Å; D289-S291 PolarHBondContact OD1-N 3.17Å; D289-S291 PolarHBondContact OD1-OG 3.04Å; D289-S291 PolarHBondContact OD2-OG 2.8Å; D289-K292 WeakPolarHBondContact O-CB 3.25Å; D289-K292 PolarHBondContact O-N 3.5Å; D289-K292 WeakPolarHBondContact OD2-CD 3.13Å; D289-K292 WeakPolarHBondContact OD2-CE 3.49Å; D289-K292 IonicContact OD2-NZ 2.59Å; D289-K292 PolarHBondContact OD2-NZ 3.45Å
290	P	96.2	Very high	97.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.6	-172	-27.5	39.2	0	0	0	116.2	K292 S296 I364 L369 L370 Y374	P290-K292 PolarHBondContact O-N 2.91Å; P290-S296 WeakPolarHBondContact O-CB 3.37Å; P290-S296 PolarHBondContact O-OG 2.92Å; P290-I364 HydrophobicContact CB-CD1 3.84Å; P290-I364 HydrophobicContact CB-CG1 3.61Å; P290-I364 WeakPolarHBondContact O-CD1 3.41Å; P290-L369 HydrophobicContact CB-CB 3.8Å; P290-L369 HydrophobicContact CB-CD1 4.17Å; P290-L369 HydrophobicContact CG-CB 3.71Å; P290-L369 WeakPolarHBondContact CG-O 3.42Å; P290-L370 HydrophobicContact CG-CD2 4.24Å; P290-Y374 HydrophobicContact CG-CE2 4.48Å; P290-Y374 VanDerWaalsContact CG-OH 3.23Å; P290-Y374 WeakPolarHBondContact CG-OH 3.36Å
291	S	93.3	Very high	97.9	Very high	4 Å²	4	9.6 Å²	9.6	3%	0.028	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.4	172.6	68.8	0	0	0	0	113.2	G136 D289 V293	G136-S291 PolarHBondContact N-O 3.25Å; D289-S291 PolarHBondContact O-N 3.33Å; D289-S291 WeakPolarHBondContact OD1-CB 3.16Å; D289-S291 PolarHBondContact OD1-N 3.17Å; D289-S291 PolarHBondContact OD1-OG 3.04Å; D289-S291 PolarHBondContact OD2-OG 2.8Å; S291-V293 PolarHBondContact O-N 2.94Å
292	K	96.2	Very high	98	Very high	27 Å²	27	8.3 Å²	8.3	12%	0.117	6%	0.061	C	C	.	.	S	Bend	trans	-81.9	107.8	173	-77.6	64.4	175.2	179	0	109.2	K288 D289 P290 D294 R295 S296	K288-K292 HydrophobicContact CB-CB 3.93Å; K288-K292 HydrophobicContact CB-CG 4.11Å; K288-K292 HydrophobicContact CD-CB 4.15Å; K288-K292 HydrophobicContact CD-CG 4.3Å; K288-K292 HydrophobicContact CG-CB 4.47Å; K288-K292 HydrophobicContact CG-CG 4.38Å; D289-K292 WeakPolarHBondContact O-CB 3.25Å; D289-K292 PolarHBondContact O-N 3.5Å; D289-K292 WeakPolarHBondContact OD2-CD 3.13Å; D289-K292 WeakPolarHBondContact OD2-CE 3.49Å; D289-K292 IonicContact OD2-NZ 2.59Å; D289-K292 PolarHBondContact OD2-NZ 3.45Å; P290-K292 PolarHBondContact O-N 2.91Å; K292-D294 PolarHBondContact O-N 2.73Å; K292-D294 VanDerWaalsContact O-N 3.14Å; K292-R295 PolarHBondContact O-N 2.67Å; K292-S296 PolarHBondContact O-N 2.77Å; K292-S296 PolarHBondContact O-OG 3.36Å
293	V	97.2	Very high	98	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-61.1	-23.4	-175.8	-69.5	0	0	0	0	113.8	A135 M141 S291 R295 A297 Y323 P360	A135-V293 HydrophobicContact CB-CB 4.41Å; A135-V293 HydrophobicContact CB-CG1 3.58Å; A135-V293 HydrophobicContact CB-CG2 3.95Å; M141-V293 HydrophobicContact CE-CB 4.34Å; M141-V293 HydrophobicContact CE-CG2 3.81Å; M141-V293 HydrophobicContact SD-CB 4.46Å; M141-V293 HydrophobicContact SD-CG2 4.44Å; S291-V293 PolarHBondContact O-N 2.94Å; V293-R295 PolarHBondContact O-N 3.38Å; V293-R295 VanDerWaalsContact O-N 3.13Å; V293-A297 HydrophobicContact CB-CB 4.07Å; V293-A297 WeakPolarHBondContact O-CA 3.48Å; V293-A297 WeakPolarHBondContact O-CB 3.5Å; V293-A297 PolarHBondContact O-N 3Å; V293-Y323 HydrophobicContact CB-CD2 4.12Å; V293-Y323 HydrophobicContact CB-CE2 4.49Å; V293-Y323 HydrophobicContact CB-CG 4.47Å; V293-Y323 HydrophobicContact CG1-CD1 4.47Å; V293-Y323 HydrophobicContact CG1-CD2 4.28Å; V293-Y323 HydrophobicContact CG1-CG 4.25Å; V293-Y323 HydrophobicContact CG2-CD2 4.3Å; V293-Y323 HydrophobicContact CG2-CG 4.48Å; V293-P360 HydrophobicContact CG1-CB 4.02Å; V293-P360 HydrophobicContact CG1-CG 3.59Å
294	D	98.3	Very high	98	Very high	25 Å²	25	6 Å²	6	13%	0.134	3%	0.031	C	C	.	.	H	α-helix	trans	-48	-41.1	169.8	-76	-22.5	0	0	0	112.6	M141 F285 K288 K292 A298	M141-D294 WeakPolarHBondContact CE-OD1 3.45Å; F285-D294 WeakPolarHBondContact CD1-O 3.37Å; F285-D294 VanDerWaalsContact CE1-O 3.26Å; F285-D294 WeakPolarHBondContact CE1-O 3.4Å; K288-D294 HydrophobicContact CD-CB 4.41Å; K288-D294 IonicContact NZ-OD2 2.94Å; K288-D294 PolarHBondContact NZ-OD2 2.84Å; K292-D294 PolarHBondContact O-N 2.73Å; K292-D294 VanDerWaalsContact O-N 3.14Å; D294-A298 WeakPolarHBondContact O-CB 3.48Å
295	R	98.6	Very high	98	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-90.3	-59.8	179	171.5	173.5	-81.9	-169.6	-18.5	111.4	D42 F285 K288 K292 V293 A297 A298 Y299	D42-R295 IonicContact OD1-CZ 3.85Å; D42-R295 VanDerWaalsContact OD1-CZ 3.3Å; D42-R295 IonicContact OD1-NH1 2.61Å; D42-R295 PolarHBondContact OD1-NH1 3.07Å; D42-R295 IonicContact OD1-NH2 3.94Å; D42-R295 PolarHBondContact OD1-NH2 2.98Å; D42-R295 IonicContact OD2-NH2 2.65Å; D42-R295 PolarHBondContact OD2-NH2 2.87Å; F285-R295 VanDerWaalsContact C-CZ 3.49Å; F285-R295 HydrophobicContact CD1-CB 4.48Å; F285-R295 PolarHBondContact O-NE 2.91Å; F285-R295 PolarHBondContact O-NH2 2.96Å; K288-R295 WeakPolarHBondContact O-CD 3.23Å; K288-R295 PolarHBondContact O-NH1 2.72Å; K292-R295 PolarHBondContact O-N 2.67Å; V293-R295 PolarHBondContact O-N 3.38Å; V293-R295 VanDerWaalsContact O-N 3.13Å; R295-A297 PolarHBondContact O-N 2.94Å; R295-A298 PolarHBondContact O-N 3.12Å; R295-Y299 HydrophobicContact CG-CD2 4.28Å; R295-Y299 HydrophobicContact CG-CE1 4.24Å; R295-Y299 HydrophobicContact CG-CE2 3.77Å; R295-Y299 VanDerWaalsContact O-CD1 3.3Å; R295-Y299 WeakPolarHBondContact O-CD1 3.48Å; R295-Y299 VanDerWaalsContact O-CG 3.3Å; R295-Y299 PolarHBondContact O-N 3Å
296	S	98.2	Very high	98	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.8	-42.5	-170.7	51	0	0	0	0	112.1	P290 K292 Y299 G300 I363	P290-S296 WeakPolarHBondContact O-CB 3.37Å; P290-S296 PolarHBondContact O-OG 2.92Å; K292-S296 PolarHBondContact O-N 2.77Å; K292-S296 PolarHBondContact O-OG 3.36Å; S296-Y299 PolarHBondContact O-N 2.95Å; S296-G300 PolarHBondContact O-N 3.38Å; S296-I363 WeakPolarHBondContact O-CG2 3.43Å
297	A	98.5	Very high	98	Very high	1 Å²	1	6 Å²	6	1%	0.008	3%	0.029	C	C	.	.	H	α-helix	trans	-74.3	-29.6	179.1	0	0	0	0	0	112.9	M141 V293 R295 G300 A301 V321 Y323 I363	M141-A297 HydrophobicContact CB-CB 4.43Å; M141-A297 HydrophobicContact CG-CB 4.12Å; M141-A297 HydrophobicContact SD-CB 4.03Å; V293-A297 HydrophobicContact CB-CB 4.07Å; V293-A297 WeakPolarHBondContact O-CA 3.48Å; V293-A297 WeakPolarHBondContact O-CB 3.5Å; V293-A297 PolarHBondContact O-N 3Å; R295-A297 PolarHBondContact O-N 2.94Å; A297-G300 PolarHBondContact O-N 3.41Å; A297-A301 VanDerWaalsContact O-CB 3.3Å; A297-A301 WeakPolarHBondContact O-CB 3.37Å; A297-A301 PolarHBondContact O-N 3.09Å; A297-V321 HydrophobicContact CB-CG2 4.03Å; A297-Y323 HydrophobicContact CB-CD2 4.28Å; A297-Y323 HydrophobicContact CB-CE2 3.42Å; A297-Y323 VanDerWaalsContact CB-CE2 3.42Å; A297-I363 HydrophobicContact CB-CD1 4.47Å
298	A	98.8	Very high	98	Very high	4 Å²	4	6 Å²	6	3%	0.033	3%	0.029	C	C	.	.	H	α-helix	trans	-64	-41.3	169.2	0	0	0	0	0	111.7	M141 F285 D294 R295 A301 R302	M141-A298 HydrophobicContact CB-CB 4.21Å; M141-A298 HydrophobicContact CG-CB 4.43Å; F285-A298 HydrophobicContact CE1-CB 3.67Å; F285-A298 HydrophobicContact CZ-CB 3.98Å; D294-A298 WeakPolarHBondContact O-CB 3.48Å; R295-A298 PolarHBondContact O-N 3.12Å; A298-A301 PolarHBondContact O-N 2.93Å; A298-R302 PolarHBondContact O-N 3.19Å
299	Y	98.8	Very high	98	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-65.8	-42.2	174.1	-66.4	1.9	0	0	0	111.5	R295 S296 R302 W303 L369 Y374 H382 F383 W390	R295-Y299 HydrophobicContact CG-CD2 4.28Å; R295-Y299 HydrophobicContact CG-CE1 4.24Å; R295-Y299 HydrophobicContact CG-CE2 3.77Å; R295-Y299 VanDerWaalsContact O-CD1 3.3Å; R295-Y299 WeakPolarHBondContact O-CD1 3.48Å; R295-Y299 VanDerWaalsContact O-CG 3.3Å; R295-Y299 PolarHBondContact O-N 3Å; S296-Y299 PolarHBondContact O-N 2.95Å; Y299-R302 PolarHBondContact O-N 3.09Å; Y299-W303 WeakPolarHBondContact O-CB 3.39Å; Y299-W303 PolarHBondContact O-N 2.98Å; Y299-L369 HydrophobicContact CD2-CD2 4.41Å; Y299-Y374 HydrophobicContact CE2-CE1 4.14Å; Y299-H382 HydrophobicContact CE1-CB 4.15Å; Y299-H382 AromaticContact CE1-ND1 3.7Å; Y299-H382 AromaticContact CZ-ND1 3.63Å; Y299-H382 PolarHBondContact OH-CE1 3.18Å; Y299-H382 PolarHBondContact OH-ND1 3.37Å; Y299-F383 AromaticContact CD1-CE1 3.68Å; Y299-F383 HydrophobicContact CD1-CE1 3.68Å; Y299-F383 HydrophobicContact CD1-CZ 4.21Å; Y299-F383 HydrophobicContact CE1-CE1 4.1Å; Y299-W390 HydrophobicContact CD1-CD2 4.47Å; Y299-W390 AromaticContact CD2-CD2 3.69Å; Y299-W390 HydrophobicContact CD2-CD2 3.69Å; Y299-W390 AromaticContact CD2-CE3 3.36Å; Y299-W390 HydrophobicContact CD2-CE3 3.36Å; Y299-W390 HydrophobicContact CD2-CG 4.5Å; Y299-W390 AromaticContact CD2-CH2 3.79Å; Y299-W390 HydrophobicContact CD2-CH2 3.79Å; Y299-W390 HydrophobicContact CD2-CZ2 4.06Å; Y299-W390 AromaticContact CD2-CZ3 3.43Å; Y299-W390 HydrophobicContact CD2-CZ3 3.43Å; Y299-W390 VanDerWaalsContact CD2-CZ3 3.43Å; Y299-W390 HydrophobicContact CE1-CZ2 4.32Å; Y299-W390 HydrophobicContact CE2-CD2 4.2Å; Y299-W390 AromaticContact CE2-CE3 3.85Å; Y299-W390 HydrophobicContact CE2-CE3 3.85Å; Y299-W390 AromaticContact CE2-CH2 3.33Å; Y299-W390 HydrophobicContact CE2-CH2 3.33Å; Y299-W390 AromaticContact CE2-CZ2 3.69Å; Y299-W390 HydrophobicContact CE2-CZ2 3.69Å; Y299-W390 AromaticContact CE2-CZ3 3.41Å; Y299-W390 HydrophobicContact CE2-CZ3 3.41Å; Y299-W390 VanDerWaalsContact CE2-CZ3 3.41Å; Y299-W390 AromaticContact CG-CD2 3.83Å; Y299-W390 HydrophobicContact CG-CD2 3.83Å; Y299-W390 AromaticContact CG-CE3 3.96Å; Y299-W390 HydrophobicContact CG-CE3 3.96Å; Y299-W390 HydrophobicContact CG-CG 4.21Å; Y299-W390 HydrophobicContact CG-CZ3 4.38Å; Y299-W390 AromaticContact CZ-CH2 3.88Å; Y299-W390 AromaticContact CZ-CZ2 3.84Å; Y299-W390 WeakPolarHBondContact O-CB 3.38Å
300	G	98.6	Very high	97.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.7	-46.1	173.8	0	0	0	0	0	112.2	S296 A297 R302 W303 V304	S296-G300 PolarHBondContact O-N 3.38Å; A297-G300 PolarHBondContact O-N 3.41Å; G300-R302 PolarHBondContact O-N 3.42Å; G300-W303 WeakPolarHBondContact O-CB 3.38Å; G300-W303 PolarHBondContact O-N 3.4Å; G300-W303 VanDerWaalsContact O-N 3.17Å; G300-V304 WeakPolarHBondContact O-CG2 3.3Å; G300-V304 PolarHBondContact O-N 3.11Å
301	A	98.8	Very high	97.9	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.008	5%	0.047	C	C	.	.	H	α-helix	trans	-64.6	-40	177.5	0	0	0	0	0	111.9	G143 A297 A298 W303 V304 A305 I319 V321	G143-A301 VanDerWaalsContact CA-C 3.4Å; A297-A301 VanDerWaalsContact O-CB 3.3Å; A297-A301 WeakPolarHBondContact O-CB 3.37Å; A297-A301 PolarHBondContact O-N 3.09Å; A298-A301 PolarHBondContact O-N 2.93Å; A301-W303 VanDerWaalsContact C-N 3.33Å; A301-V304 PolarHBondContact O-N 2.96Å; A301-A305 WeakPolarHBondContact O-CB 3.48Å; A301-A305 PolarHBondContact O-N 3.44Å; A301-I319 HydrophobicContact CB-CB 4.32Å; A301-I319 HydrophobicContact CB-CG2 4.1Å; A301-V321 HydrophobicContact CB-CG2 4.34Å
302	R	98.8	Very high	98	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.6	-45.2	171.5	169.6	60.4	178.5	172	4.5	111.1	Y144 E151 R152 A298 Y299 G300 V304 A305 K306 F383 E391	Y144-R302 WeakPolarHBondContact O-CD 3.33Å; Y144-R302 PolarHBondContact O-NH1 2.85Å; E151-R302 PolarHBondContact O-NH2 3.38Å; R152-R302 PolarHBondContact O-NH1 2.88Å; A298-R302 PolarHBondContact O-N 3.19Å; Y299-R302 PolarHBondContact O-N 3.09Å; G300-R302 PolarHBondContact O-N 3.42Å; R302-V304 VanDerWaalsContact C-N 3.34Å; R302-V304 PolarHBondContact O-N 2.73Å; R302-A305 PolarHBondContact O-N 3.01Å; R302-K306 WeakPolarHBondContact O-CB 3.43Å; R302-K306 PolarHBondContact O-N 2.87Å; R302-F383 HydrophobicContact CB-CD1 4.01Å; R302-F383 HydrophobicContact CB-CE1 3.81Å; R302-F383 HydrophobicContact CB-CZ 4.2Å; R302-F383 HydrophobicContact CG-CB 4.47Å; R302-F383 HydrophobicContact CG-CD1 3.61Å; R302-F383 HydrophobicContact CG-CE1 3.96Å; R302-F383 HydrophobicContact CG-CG 4.02Å; R302-E391 IonicContact CZ-OE1 3.38Å; R302-E391 IonicContact CZ-OE2 2.91Å; R302-E391 IonicContact NE-OE1 3.98Å; R302-E391 PolarHBondContact NE-OE1 2.98Å; R302-E391 IonicContact NE-OE2 2.67Å; R302-E391 IonicContact NH2-OE1 2.94Å; R302-E391 PolarHBondContact NH2-OE1 3.21Å; R302-E391 IonicContact NH2-OE2 2.73Å; R302-E391 PolarHBondContact NH2-OE2 3.12Å
303	W	98.7	Very high	98	Very high	16 Å²	16	7.9 Å²	7.9	6%	0.061	5%	0.047	C	C	.	.	H	α-helix	trans	-59.8	-43.9	179.2	-179.4	49.3	0	0	0	112	Y299 G300 A301 S307 F356 E366 L367 W390 K392 K394	Y299-W303 WeakPolarHBondContact O-CB 3.39Å; Y299-W303 PolarHBondContact O-N 2.98Å; G300-W303 WeakPolarHBondContact O-CB 3.38Å; G300-W303 PolarHBondContact O-N 3.4Å; G300-W303 VanDerWaalsContact O-N 3.17Å; A301-W303 VanDerWaalsContact C-N 3.33Å; W303-S307 WeakPolarHBondContact O-CB 3.5Å; W303-S307 PolarHBondContact O-N 3.39Å; W303-S307 VanDerWaalsContact O-N 3.08Å; W303-S307 PolarHBondContact O-OG 2.97Å; W303-F356 HydrophobicContact CD2-CD1 4.13Å; W303-F356 AromaticContact CD2-CE1 3.71Å; W303-F356 HydrophobicContact CD2-CE1 3.71Å; W303-F356 AromaticContact CE2-CE1 3.87Å; W303-F356 AromaticContact CE3-CD1 3.55Å; W303-F356 HydrophobicContact CE3-CD1 3.55Å; W303-F356 AromaticContact CE3-CE1 3.64Å; W303-F356 HydrophobicContact CE3-CE1 3.64Å; W303-F356 HydrophobicContact CG-CE1 4.43Å; W303-F356 AromaticContact CH2-CD1 3.95Å; W303-F356 HydrophobicContact CH2-CD1 3.95Å; W303-F356 HydrophobicContact CH2-CE1 4Å; W303-F356 HydrophobicContact CZ2-CD1 4.45Å; W303-F356 HydrophobicContact CZ2-CE1 4.03Å; W303-F356 AromaticContact CZ3-CD1 3.47Å; W303-F356 HydrophobicContact CZ3-CD1 3.47Å; W303-F356 VanDerWaalsContact CZ3-CD1 3.47Å; W303-F356 AromaticContact CZ3-CE1 3.81Å; W303-F356 HydrophobicContact CZ3-CE1 3.81Å; W303-E366 HydrophobicContact CH2-CB 4.12Å; W303-E366 HydrophobicContact CZ3-CB 4.31Å; W303-L367 HydrophobicContact CD2-CD2 3.84Å; W303-L367 HydrophobicContact CE3-CD2 4.06Å; W303-L367 HydrophobicContact CG-CD2 4.1Å; W303-L367 HydrophobicContact CZ2-CD2 4.49Å; W303-L367 HydrophobicContact CZ3-CD2 4.46Å; W303-W390 WeakPolarHBondContact CA-O 3.49Å; W303-W390 HydrophobicContact CB-CB 4.14Å; W303-K392 VanDerWaalsContact CD1-O 3.3Å; W303-K392 PolarHBondContact NE1-O 3.46Å; W303-K394 HydrophobicContact CH2-CD 3.81Å; W303-K394 HydrophobicContact CZ2-CB 3.78Å; W303-K394 HydrophobicContact CZ2-CD 3.71Å; W303-K394 HydrophobicContact CZ2-CG 4.07Å
304	V	98.8	Very high	98	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.3	-56.1	172.7	176.8	0	0	0	0	110.6	G300 A301 R302 K306 S307 L308 I319 I352 F356 L358	G300-V304 WeakPolarHBondContact O-CG2 3.3Å; G300-V304 PolarHBondContact O-N 3.11Å; A301-V304 PolarHBondContact O-N 2.96Å; R302-V304 VanDerWaalsContact C-N 3.34Å; R302-V304 PolarHBondContact O-N 2.73Å; V304-K306 VanDerWaalsContact C-N 3.33Å; V304-K306 PolarHBondContact O-N 3.24Å; V304-S307 PolarHBondContact O-N 3.15Å; V304-S307 VanDerWaalsContact O-N 3.12Å; V304-L308 HydrophobicContact CG1-CD1 4.14Å; V304-L308 HydrophobicContact CG1-CG 4.44Å; V304-L308 WeakPolarHBondContact O-CG 3.3Å; V304-L308 PolarHBondContact O-N 2.81Å; V304-I319 HydrophobicContact CB-CG1 4.26Å; V304-I319 HydrophobicContact CG1-CD1 3.91Å; V304-I319 HydrophobicContact CG1-CG1 3.89Å; V304-I352 HydrophobicContact CG1-CD1 4.11Å; V304-I352 HydrophobicContact CG1-CG1 3.81Å; V304-I352 HydrophobicContact CG1-CG2 4.12Å; V304-F356 HydrophobicContact CG1-CD2 4.3Å; V304-F356 HydrophobicContact CG1-CE2 4.27Å; V304-F356 HydrophobicContact CG2-CB 4.07Å; V304-F356 HydrophobicContact CG2-CD1 3.76Å; V304-F356 HydrophobicContact CG2-CD2 3.92Å; V304-F356 HydrophobicContact CG2-CE1 4.12Å; V304-F356 HydrophobicContact CG2-CE2 4.26Å; V304-F356 HydrophobicContact CG2-CG 3.65Å; V304-F356 HydrophobicContact CG2-CZ 4.35Å; V304-L358 HydrophobicContact CG2-CD1 4.32Å; V304-L358 HydrophobicContact CG2-CD2 3.97Å
305	A	98.8	Very high	97.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-56.5	-47.1	-175.8	0	0	0	0	0	111.9	A145 A301 R302 S307 L308 V309 C317 I319	A145-A305 VanDerWaalsContact CB-C 3.46Å; A145-A305 HydrophobicContact CB-CB 3.89Å; A145-A305 WeakPolarHBondContact CB-O 3.21Å; A301-A305 WeakPolarHBondContact O-CB 3.48Å; A301-A305 PolarHBondContact O-N 3.44Å; R302-A305 PolarHBondContact O-N 3.01Å; A305-S307 VanDerWaalsContact C-N 3.35Å; A305-S307 PolarHBondContact O-N 3.14Å; A305-L308 PolarHBondContact O-N 2.88Å; A305-V309 PolarHBondContact O-N 2.96Å; A305-C317 PolarHBondContact O-SG 2.86Å; A305-C317 VanDerWaalsContact O-SG 3.38Å; A305-I319 HydrophobicContact CB-CG1 3.84Å
306	K	98.7	Very high	97.8	Very high	19 Å²	19	8.8 Å²	8.8	8%	0.083	5%	0.049	C	C	.	.	H	α-helix	trans	-62.6	-42.8	178.8	-168.2	-175.9	-177	173.2	0	111.8	A145 R152 R302 V304 L308 V309 D310 E391 S393	A145-K306 HydrophobicContact CB-CB 4.45Å; R152-K306 HydrophobicContact CB-CG 4.07Å; R152-K306 HydrophobicContact CG-CG 3.99Å; R302-K306 WeakPolarHBondContact O-CB 3.43Å; R302-K306 PolarHBondContact O-N 2.87Å; V304-K306 VanDerWaalsContact C-N 3.33Å; V304-K306 PolarHBondContact O-N 3.24Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.88Å; K306-V309 PolarHBondContact O-N 2.89Å; K306-D310 WeakPolarHBondContact O-CB 3.45Å; K306-D310 PolarHBondContact O-N 3.4Å; K306-E391 WeakPolarHBondContact CD-OE2 3.44Å; K306-E391 WeakPolarHBondContact CE-O 3.16Å; K306-E391 PolarHBondContact NZ-O 3.25Å; K306-E391 IonicContact NZ-OE2 3.37Å; K306-E391 PolarHBondContact NZ-OE2 3.13Å; K306-S393 WeakPolarHBondContact CG-OG 3.49Å
307	S	98.5	Very high	97.8	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-39.5	179.3	-57.5	0	0	0	0	112.3	W303 V304 A305 A311 S393 K394	W303-S307 WeakPolarHBondContact O-CB 3.5Å; W303-S307 PolarHBondContact O-N 3.39Å; W303-S307 VanDerWaalsContact O-N 3.08Å; W303-S307 PolarHBondContact O-OG 2.97Å; V304-S307 PolarHBondContact O-N 3.15Å; V304-S307 VanDerWaalsContact O-N 3.12Å; A305-S307 VanDerWaalsContact C-N 3.35Å; A305-S307 PolarHBondContact O-N 3.14Å; S307-A311 WeakPolarHBondContact O-CB 3.24Å; S307-A311 PolarHBondContact O-N 3.49Å; S307-S393 WeakPolarHBondContact OG-CA 3.46Å; S307-K394 PolarHBondContact OG-N 3.01Å
308	L	98.2	Very high	97.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64	-43.5	176.3	-65.1	175.4	0	0	0	112	V304 A305 K306 A311 G312 I313 I319 V335 I351 I352 L396	V304-L308 HydrophobicContact CG1-CD1 4.14Å; V304-L308 HydrophobicContact CG1-CG 4.44Å; V304-L308 WeakPolarHBondContact O-CG 3.3Å; V304-L308 PolarHBondContact O-N 2.81Å; A305-L308 PolarHBondContact O-N 2.88Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.88Å; L308-A311 PolarHBondContact O-N 3.01Å; L308-G312 PolarHBondContact O-N 2.91Å; L308-I313 HydrophobicContact CD2-CD1 3.63Å; L308-I313 HydrophobicContact CD2-CG2 4.37Å; L308-I313 WeakPolarHBondContact O-CB 3.16Å; L308-I313 PolarHBondContact O-N 3.41Å; L308-I313 VanDerWaalsContact O-N 3.15Å; L308-I319 HydrophobicContact CD1-CD1 3.98Å; L308-V335 HydrophobicContact CD1-CG2 4.41Å; L308-I351 HydrophobicContact CD2-CG2 4.19Å; L308-I352 HydrophobicContact CD1-CD1 4.14Å; L308-I352 HydrophobicContact CD1-CG1 4.17Å; L308-I352 HydrophobicContact CD2-CG1 4.5Å; L308-L396 HydrophobicContact CD2-CD1 3.93Å
309	V	97.8	Very high	97.8	Very high	8 Å²	8	9.4 Å²	9.4	5%	0.048	5%	0.052	C	C	.	.	H	α-helix	trans	-68	-43.7	178.2	178	0	0	0	0	111.4	A145 D147 R152 A305 K306 A311 G312 C314	A145-V309 HydrophobicContact CB-CB 4.25Å; A145-V309 HydrophobicContact CB-CG2 3.68Å; D147-V309 HydrophobicContact CB-CG1 4.15Å; R152-V309 HydrophobicContact CG-CG1 4.5Å; A305-V309 PolarHBondContact O-N 2.96Å; K306-V309 PolarHBondContact O-N 2.89Å; V309-A311 VanDerWaalsContact C-N 3.3Å; V309-A311 PolarHBondContact O-N 2.61Å; V309-G312 PolarHBondContact O-N 3.28Å; V309-G312 VanDerWaalsContact O-N 3.11Å; V309-C314 WeakPolarHBondContact CA-O 3.23Å
310	D	97.2	Very high	97.8	Very high	56 Å²	56	12.1 Å²	12.1	30%	0.299	7%	0.065	S	C	.	.	H	α-helix	trans	-65.4	-32.2	177.3	-81.5	-22.2	0	0	0	113.1	R152 K306 G312 S393	R152-D310 IonicContact CZ-OD1 2.76Å; R152-D310 IonicContact NE-OD1 3.89Å; R152-D310 PolarHBondContact NE-OD1 3.25Å; R152-D310 IonicContact NH2-OD1 3.37Å; R152-D310 PolarHBondContact NH2-OD1 3.29Å; K306-D310 WeakPolarHBondContact O-CB 3.45Å; K306-D310 PolarHBondContact O-N 3.4Å; D310-G312 PolarHBondContact O-N 3.16Å; D310-S393 WeakPolarHBondContact OD2-CB 3.33Å; D310-S393 PolarHBondContact OD2-OG 2.72Å
311	A	96.2	Very high	97.8	Very high	18 Å²	18	12.2 Å²	12.2	15%	0.149	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.4	174.9	0	0	0	0	0	113.6	S307 L308 V309 I313 L396 F421	S307-A311 WeakPolarHBondContact O-CB 3.24Å; S307-A311 PolarHBondContact O-N 3.49Å; L308-A311 PolarHBondContact O-N 3.01Å; V309-A311 VanDerWaalsContact C-N 3.3Å; V309-A311 PolarHBondContact O-N 2.61Å; A311-I313 VanDerWaalsContact C-N 3.26Å; A311-I313 HydrophobicContact CB-CD1 3.99Å; A311-I313 HydrophobicContact CB-CG1 4.09Å; A311-I313 PolarHBondContact O-N 3.22Å; A311-L396 HydrophobicContact CB-CD1 3.72Å; A311-L396 HydrophobicContact CB-CG 4.33Å; A311-F421 HydrophobicContact CB-CE1 4.27Å; A311-F421 HydrophobicContact CB-CZ 3.93Å
312	G	94.5	Very high	97.8	Very high	14 Å²	14	13.1 Å²	13.1	14%	0.144	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	18	-178.1	0	0	0	0	0	114.3	L308 V309 D310 S409	L308-G312 PolarHBondContact O-N 2.91Å; V309-G312 PolarHBondContact O-N 3.28Å; V309-G312 VanDerWaalsContact O-N 3.11Å; D310-G312 PolarHBondContact O-N 3.16Å; G312-S409 PolarHBondContact O-OG 2.8Å
313	I	96.8	Very high	97.7	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.072	C	C	.	.	S	Bend	trans	-71.4	-40.8	176.4	-69.2	168.7	0	0	0	110.3	L308 A311 S341 F343 L348 I351 L396 I398 L406	L308-I313 HydrophobicContact CD2-CD1 3.63Å; L308-I313 HydrophobicContact CD2-CG2 4.37Å; L308-I313 WeakPolarHBondContact O-CB 3.16Å; L308-I313 PolarHBondContact O-N 3.41Å; L308-I313 VanDerWaalsContact O-N 3.15Å; A311-I313 VanDerWaalsContact C-N 3.26Å; A311-I313 HydrophobicContact CB-CD1 3.99Å; A311-I313 HydrophobicContact CB-CG1 4.09Å; A311-I313 PolarHBondContact O-N 3.22Å; I313-S341 PolarHBondContact O-OG 3.3Å; I313-S341 VanDerWaalsContact O-OG 3.11Å; I313-F343 HydrophobicContact CG1-CE2 4.42Å; I313-F343 HydrophobicContact CG2-CD2 3.74Å; I313-F343 HydrophobicContact CG2-CE2 4.06Å; I313-L348 HydrophobicContact CG2-CD2 3.29Å; I313-I351 HydrophobicContact CD1-CD1 4.31Å; I313-I351 HydrophobicContact CD1-CG2 3.97Å; I313-L396 HydrophobicContact CD1-CD1 3.49Å; I313-L396 VanDerWaalsContact CD1-CD1 3.49Å; I313-I398 HydrophobicContact CD1-CD1 3.93Å; I313-L406 HydrophobicContact CG1-CD1 3.89Å
314	C	96.1	Very high	97.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	8%	0.08	C	C	.	.			trans	-141.6	168.7	175.3	60.2	0	0	0	0	109.5	V309 D337	V309-C314 WeakPolarHBondContact CA-O 3.23Å; C314-D337 HydrophobicContact CB-CB 4.24Å
315	K	95.7	Very high	97.2	Very high	25 Å²	25	18 Å²	18	11%	0.109	10%	0.101	C	C	.	.	S	Bend	trans	-100.1	-21.2	171.1	-67	-40.3	-149.3	-171.3	0	113.6	T146 D147 R197 T340 L411	T146-K315 CarbonylContact C-O 3.45Å; T146-K315 WeakPolarHBondContact CA-O 3.45Å; D147-K315 HydrophobicContact CB-CB 4.42Å; D147-K315 HydrophobicContact CB-CD 4.39Å; D147-K315 PolarHBondContact N-O 3.36Å; D147-K315 WeakPolarHBondContact OD2-CD 3.39Å; D147-K315 VanDerWaalsContact OD2-CE 3.31Å; D147-K315 WeakPolarHBondContact OD2-CE 3.2Å; D147-K315 WeakPolarHBondContact OD2-CG 3.43Å; R197-K315 HydrophobicContact CG-CB 3.73Å; R197-K315 HydrophobicContact CG-CG 4.01Å; K315-T340 HydrophobicContact CB-CG2 4.28Å; K315-T340 PolarHBondContact N-OG1 3.47Å; K315-L411 HydrophobicContact CD-CB 4.07Å; K315-L411 HydrophobicContact CD-CD1 3.85Å; K315-L411 HydrophobicContact CD-CD2 3.96Å; K315-L411 HydrophobicContact CD-CG 4.12Å; K315-L411 HydrophobicContact CG-CD1 3.59Å; K315-L411 HydrophobicContact CG-CD2 3.61Å; K315-L411 HydrophobicContact CG-CG 4.06Å; K315-L411 PolarHBondContact NZ-O 3.08Å
316	R	97.3	Very high	96.9	Very high	20 Å²	20	18.9 Å²	18.9	8%	0.075	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	132.6	-179.5	-176.8	-176.6	171.3	-160.3	-2.3	107.9	Y144 A145 D337 Y338 T340	Y144-R316 HydrophobicContact CE2-CG 3.78Å; Y144-R316 WeakPolarHBondContact OH-CD 3.37Å; Y144-R316 WeakPolarHBondContact OH-CG 3.21Å; Y144-R316 PolarHBondContact OH-NE 2.95Å; A145-R316 CarbonylContact O-C 3.51Å; A145-R316 WeakPolarHBondContact O-CA 3.29Å; R316-D337 CarbonylContact O-C 3.21Å; R316-D337 VanDerWaalsContact O-CA 3.31Å; R316-D337 WeakPolarHBondContact O-CA 3.27Å; R316-Y338 HydrophobicContact CB-CD2 4.38Å; R316-Y338 HydrophobicContact CG-CD2 3.73Å; R316-Y338 HydrophobicContact CG-CE2 4.16Å; R316-Y338 HydrophobicContact CG-CG 4.46Å; R316-T340 HydrophobicContact CB-CG2 4.2Å; R316-T340 PolarHBondContact N-OG1 3.25Å; R316-T340 VanDerWaalsContact N-OG1 3.07Å; R316-T340 PolarHBondContact O-OG1 3.36Å; R316-T340 VanDerWaalsContact O-OG1 3.09Å
317	C	98	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.6	174.1	63.8	0	0	0	0	113.1	Y144 A145 A305 V336	Y144-C317 WeakPolarHBondContact CA-O 3.4Å; Y144-C317 WeakPolarHBondContact CD2-O 3.34Å; A145-C317 PolarHBondContact N-O 3.39Å; A145-C317 VanDerWaalsContact N-O 3.08Å; A145-C317 PolarHBondContact O-N 2.99Å; A305-C317 PolarHBondContact O-SG 2.86Å; A305-C317 VanDerWaalsContact O-SG 3.38Å; C317-V336 CarbonylContact C-O 3.56Å; C317-V336 WeakPolarHBondContact CA-O 3.34Å
318	L	98.7	Very high	96.5	Very high	18 Å²	18	22.4 Å²	22.4	9%	0.094	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.5	168.9	-179.2	69.9	0	0	0	108.3	F142 G143 Y144 A279 V335 V336 Y338	F142-L318 HydrophobicContact CB-CD1 4.02Å; F142-L318 HydrophobicContact CD1-CD1 3.78Å; F142-L318 HydrophobicContact CD1-CD2 4.03Å; F142-L318 HydrophobicContact CD1-CG 3.97Å; F142-L318 HydrophobicContact CE1-CD2 4.2Å; F142-L318 HydrophobicContact CG-CD1 4.29Å; G143-L318 CarbonylContact O-C 3.5Å; G143-L318 WeakPolarHBondContact O-CA 3.46Å; Y144-L318 HydrophobicContact CD2-CB 4.36Å; Y144-L318 HydrophobicContact CD2-CD1 4.35Å; A279-L318 HydrophobicContact CB-CD1 4.3Å; A279-L318 HydrophobicContact CB-CD2 4.09Å; L318-V335 WeakPolarHBondContact O-CA 3.47Å; L318-V336 HydrophobicContact CB-CB 4.32Å; L318-V336 PolarHBondContact N-O 3.1Å; L318-V336 PolarHBondContact O-N 3.25Å; L318-Y338 HydrophobicContact CB-CE2 3.9Å
319	I	98.7	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.4	172.1	-56.7	-61.1	0	0	0	107.1	F142 G143 A301 V304 A305 L308 V321 T334 V335 I352	F142-I319 CarbonylContact C-O 3.42Å; F142-I319 VanDerWaalsContact CA-O 3.23Å; F142-I319 WeakPolarHBondContact CA-O 3.2Å; G143-I319 PolarHBondContact N-O 2.78Å; G143-I319 PolarHBondContact O-N 3.06Å; A301-I319 HydrophobicContact CB-CB 4.32Å; A301-I319 HydrophobicContact CB-CG2 4.1Å; V304-I319 HydrophobicContact CB-CG1 4.26Å; V304-I319 HydrophobicContact CG1-CD1 3.91Å; V304-I319 HydrophobicContact CG1-CG1 3.89Å; A305-I319 HydrophobicContact CB-CG1 3.84Å; L308-I319 HydrophobicContact CD1-CD1 3.98Å; I319-V321 HydrophobicContact CG2-CG1 4.26Å; I319-T334 CarbonylContact C-O 3.54Å; I319-T334 WeakPolarHBondContact CA-O 3.44Å; I319-V335 HydrophobicContact CD1-CB 3.82Å; I319-V335 HydrophobicContact CD1-CG2 3.62Å; I319-I352 HydrophobicContact CD1-CD1 3.8Å
320	Q	98.7	Very high	96.4	Very high	57 Å²	57	28 Å²	28	27%	0.266	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.1	167.4	-173.4	-171	31.8	0	0	108.6	M141 F142 I333 T334	M141-Q320 WeakPolarHBondContact O-CA 3.48Å; F142-Q320 HydrophobicContact CD1-CB 3.85Å; F142-Q320 HydrophobicContact CD1-CG 4.02Å; F142-Q320 HydrophobicContact CE1-CB 3.66Å; F142-Q320 HydrophobicContact CE1-CG 3.55Å; F142-Q320 HydrophobicContact CZ-CG 3.93Å; Q320-I333 CarbonylContact O-C 3.55Å; Q320-I333 WeakPolarHBondContact O-CA 3.49Å; Q320-T334 PolarHBondContact N-O 3.3Å; Q320-T334 PolarHBondContact O-N 2.99Å; Q320-T334 PolarHBondContact OE1-OG1 3.29Å
321	V	98.4	Very high	96.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.8	167.3	-64.4	0	0	0	0	109.5	L140 M141 A297 A301 I319 Y323 S332 I333 L358	L140-V321 CarbonylContact C-O 3.58Å; L140-V321 WeakPolarHBondContact CA-O 3Å; M141-V321 HydrophobicContact CB-CG2 3.91Å; M141-V321 PolarHBondContact N-O 3.12Å; M141-V321 PolarHBondContact O-N 2.88Å; A297-V321 HydrophobicContact CB-CG2 4.03Å; A301-V321 HydrophobicContact CB-CG2 4.34Å; I319-V321 HydrophobicContact CG2-CG1 4.26Å; V321-Y323 HydrophobicContact CB-CE2 4.12Å; V321-Y323 HydrophobicContact CG2-CE2 3.89Å; V321-S332 WeakPolarHBondContact CA-O 3.4Å; V321-I333 HydrophobicContact CG1-CG1 4.26Å; V321-I333 HydrophobicContact CG1-CG2 4.38Å; V321-L358 HydrophobicContact CG1-CD1 3.76Å
322	S	98.4	Very high	96.5	Very high	20 Å²	20	31.8 Å²	31.8	14%	0.14	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147	176.2	66.7	0	0	0	0	112.2	G139 P330 L331 S332	G139-S322 CarbonylContact O-C 3.58Å; G139-S322 WeakPolarHBondContact O-CA 3.4Å; G139-S322 WeakPolarHBondContact O-CB 3.13Å; S322-P330 CarbonylContact O-C 3.57Å; S322-P330 WeakPolarHBondContact O-CA 3.25Å; S322-L331 PolarHBondContact O-N 3.42Å; S322-S332 PolarHBondContact N-O 3.36Å; S322-S332 PolarHBondContact OG-N 2.92Å; S322-S332 PolarHBondContact OG-OG 2.75Å
323	Y	98.2	Very high	96.7	Very high	6 Å²	6	32.9 Å²	32.9	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.1	180	-59.1	-97.7	0	0	0	111.4	A135 Q138 G139 M141 V293 A297 V321 P330 L358 P360	A135-Y323 HydrophobicContact CB-CD1 4.16Å; A135-Y323 HydrophobicContact CB-CG 4.04Å; Q138-Y323 WeakPolarHBondContact CA-O 3.34Å; G139-Y323 PolarHBondContact N-O 2.85Å; G139-Y323 VanDerWaalsContact N-O 3.08Å; G139-Y323 PolarHBondContact O-N 3.03Å; M141-Y323 HydrophobicContact SD-CD2 4.02Å; M141-Y323 HydrophobicContact SD-CE2 4.29Å; V293-Y323 HydrophobicContact CB-CD2 4.12Å; V293-Y323 HydrophobicContact CB-CE2 4.49Å; V293-Y323 HydrophobicContact CB-CG 4.47Å; V293-Y323 HydrophobicContact CG1-CD1 4.47Å; V293-Y323 HydrophobicContact CG1-CD2 4.28Å; V293-Y323 HydrophobicContact CG1-CG 4.25Å; V293-Y323 HydrophobicContact CG2-CD2 4.3Å; V293-Y323 HydrophobicContact CG2-CG 4.48Å; A297-Y323 HydrophobicContact CB-CD2 4.28Å; A297-Y323 HydrophobicContact CB-CE2 3.42Å; A297-Y323 VanDerWaalsContact CB-CE2 3.42Å; V321-Y323 HydrophobicContact CB-CE2 4.12Å; V321-Y323 HydrophobicContact CG2-CE2 3.89Å; Y323-P330 HydrophobicContact CE1-CB 4.06Å; Y323-P330 HydrophobicContact CE1-CG 3.73Å; Y323-L358 WeakPolarHBondContact CE1-O 3.45Å; Y323-L358 PolarHBondContact OH-O 3.02Å; Y323-P360 HydrophobicContact CD1-CG 4.3Å; Y323-P360 HydrophobicContact CE1-CG 4.1Å
324	A	95.6	Very high	96.7	Very high	26 Å²	26	34.9 Å²	34.9	22%	0.215	19%	0.193	C	C	.	.			trans	-111.6	144	163.1	0	0	0	0	0	109.2	G326 I327 L331	A324-G326 PolarHBondContact O-N 3.07Å; A324-I327 HydrophobicContact CB-CD1 3.81Å; A324-I327 HydrophobicContact CB-CG1 4.28Å; A324-I327 PolarHBondContact O-N 3.38Å; A324-I327 VanDerWaalsContact O-N 3.13Å; A324-L331 HydrophobicContact CB-CD1 3.78Å; A324-L331 HydrophobicContact CB-CD2 4.36Å; A324-L331 HydrophobicContact CB-CG 4.29Å
325	I	91.6	Very high	96.8	Very high	88 Å²	88	35.1 Å²	35.1	45%	0.451	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-52.9	133.5	-179.1	-169.5	170.5	0	0	0	111.6	V124 A135 I327	V124-I325 HydrophobicContact CG2-CG1 4.45Å; A135-I325 WeakPolarHBondContact O-CA 3.19Å; I325-I327 PolarHBondContact O-N 3.22Å
326	G	90.8	Very high	96.9	Very high	18 Å²	18	36.7 Å²	36.7	19%	0.186	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-5.8	178.3	0	0	0	0	0	116.1	G123 R128 A135 A324	G123-G326 VanDerWaalsContact O-CA 3.26Å; G123-G326 WeakPolarHBondContact O-CA 3.1Å; R128-G326 PolarHBondContact NH1-O 3.38Å; R128-G326 VanDerWaalsContact NH1-O 3.09Å; A135-G326 PolarHBondContact O-N 2.94Å; A324-G326 PolarHBondContact O-N 3.07Å
327	I	94.1	Very high	96.9	Very high	77 Å²	77	37.2 Å²	37.2	40%	0.395	21%	0.211	S	C	.	.			trans	-95.5	130.5	174.1	-55.8	-176.3	0	0	0	109.2	A135 A324 I325 L331	A135-I327 PolarHBondContact N-O 2.88Å; A324-I327 HydrophobicContact CB-CD1 3.81Å; A324-I327 HydrophobicContact CB-CG1 4.28Å; A324-I327 PolarHBondContact O-N 3.38Å; A324-I327 VanDerWaalsContact O-N 3.13Å; I325-I327 PolarHBondContact O-N 3.22Å; I327-L331 HydrophobicContact CD1-CD2 4.39Å
328	A	95.8	Very high	96.8	Very high	16 Å²	16	40.5 Å²	40.5	13%	0.132	22%	0.224	C	C	.	.			trans	-78.6	-44.1	-179.9	0	0	0	0	0	112.1	I133 R359 P360	I133-A328 WeakPolarHBondContact O-CB 3.39Å; A328-R359 HydrophobicContact CB-CG 4.37Å; A328-R359 WeakPolarHBondContact O-CA 3.48Å; A328-R359 WeakPolarHBondContact O-CG 3.46Å; A328-P360 WeakPolarHBondContact O-CD 3.37Å
329	E	96.6	Very high	96.6	Very high	102 Å²	102	42.3 Å²	42.3	48%	0.477	25%	0.247	S	C	.	.	S	Bend	trans	-71.7	139.7	-179.4	-61.9	-65.6	171	0	0	111.7	L331 R359	E329-L331 PolarHBondContact O-N 3.19Å; E329-R359 VanDerWaalsContact OE1-CD 3.29Å; E329-R359 WeakPolarHBondContact OE1-CD 3.29Å; E329-R359 IonicContact OE1-NE 3.22Å; E329-R359 IonicContact OE1-NH1 2.67Å; E329-R359 WeakPolarHBondContact OE2-CG 3.46Å
330	P	97.5	Very high	96.4	Very high	24 Å²	24	42.8 Å²	42.8	16%	0.156	25%	0.249	C	C	.	.			trans	-57.8	138.1	168.2	-18.6	29.3	0	0	0	111.1	S322 Y323 S332 I333 L358	S322-P330 CarbonylContact O-C 3.57Å; S322-P330 WeakPolarHBondContact O-CA 3.25Å; Y323-P330 HydrophobicContact CE1-CB 4.06Å; Y323-P330 HydrophobicContact CE1-CG 3.73Å; P330-S332 VanDerWaalsContact C-N 3.3Å; P330-I333 HydrophobicContact CB-CD1 4.47Å; P330-I333 HydrophobicContact CB-CG1 4.03Å; P330-I333 HydrophobicContact CG-CD1 4.29Å; P330-I333 HydrophobicContact CG-CG1 4.32Å; P330-L358 HydrophobicContact CG-CB 3.95Å
331	L	97.6	Very high	96.2	Very high	109 Å²	109	40.9 Å²	40.9	57%	0.571	24%	0.242	S	C	*	.	S	Bend	trans	-70.1	-30.6	171.2	-62.1	-179.8	0	0	0	112.1	S322 A324 I327 E329	S322-L331 PolarHBondContact O-N 3.42Å; A324-L331 HydrophobicContact CB-CD1 3.78Å; A324-L331 HydrophobicContact CB-CD2 4.36Å; A324-L331 HydrophobicContact CB-CG 4.29Å; I327-L331 HydrophobicContact CD1-CD2 4.39Å; E329-L331 PolarHBondContact O-N 3.19Å
332	S	97.4	Very high	96	Very high	44 Å²	44	44.6 Å²	44.6	31%	0.308	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.3	177.6	71.5	0	0	0	0	110.8	V321 S322 P330	V321-S332 WeakPolarHBondContact CA-O 3.4Å; S322-S332 PolarHBondContact N-O 3.36Å; S322-S332 PolarHBondContact OG-N 2.92Å; S322-S332 PolarHBondContact OG-OG 2.75Å; P330-S332 VanDerWaalsContact C-N 3.3Å
333	I	98.3	Very high	95.8	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.195	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.7	167.7	-55.2	173.1	0	0	0	105.9	Q320 V321 P330 L349 I352 L358	Q320-I333 CarbonylContact O-C 3.55Å; Q320-I333 WeakPolarHBondContact O-CA 3.49Å; V321-I333 HydrophobicContact CG1-CG1 4.26Å; V321-I333 HydrophobicContact CG1-CG2 4.38Å; P330-I333 HydrophobicContact CB-CD1 4.47Å; P330-I333 HydrophobicContact CB-CG1 4.03Å; P330-I333 HydrophobicContact CG-CD1 4.29Å; P330-I333 HydrophobicContact CG-CG1 4.32Å; I333-L349 HydrophobicContact CB-CD1 4Å; I333-L349 HydrophobicContact CG2-CD1 3.94Å; I333-I352 HydrophobicContact CG2-CG2 4.3Å; I333-L358 HydrophobicContact CD1-CD1 4.04Å; I333-L358 HydrophobicContact CG1-CD1 4.46Å
334	T	98.2	Very high	95.7	Very high	42 Å²	42	47.2 Å²	47.2	26%	0.258	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.4	179.4	-49.3	0	0	0	0	109.3	I319 Q320 V336	I319-T334 CarbonylContact C-O 3.54Å; I319-T334 WeakPolarHBondContact CA-O 3.44Å; Q320-T334 PolarHBondContact N-O 3.3Å; Q320-T334 PolarHBondContact O-N 2.99Å; Q320-T334 PolarHBondContact OE1-OG1 3.29Å; T334-V336 HydrophobicContact CG2-CG2 4.41Å
335	V	98.2	Very high	95.6	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.9	176.6	55.5	0	0	0	0	110.5	L308 L318 I319 E345 L348 I352	L308-V335 HydrophobicContact CD1-CG2 4.41Å; L318-V335 WeakPolarHBondContact O-CA 3.47Å; I319-V335 HydrophobicContact CD1-CB 3.82Å; I319-V335 HydrophobicContact CD1-CG2 3.62Å; V335-E345 HydrophobicContact CG1-CG 4.15Å; V335-L348 HydrophobicContact CG1-CB 3.58Å; V335-L348 HydrophobicContact CG1-CD1 4.29Å; V335-L348 HydrophobicContact CG2-CB 4.22Å; V335-L348 HydrophobicContact CG2-CD1 4.07Å; V335-I352 HydrophobicContact CB-CD1 3.87Å; V335-I352 HydrophobicContact CG1-CD1 4.15Å; V335-I352 HydrophobicContact CG2-CD1 4.17Å
336	V	97.8	Very high	95.8	Very high	59 Å²	59	53 Å²	53	36%	0.358	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109.1	176.7	-178.2	0	0	0	0	108.4	C317 L318 T334 Y338	C317-V336 CarbonylContact C-O 3.56Å; C317-V336 WeakPolarHBondContact CA-O 3.34Å; L318-V336 HydrophobicContact CB-CB 4.32Å; L318-V336 PolarHBondContact N-O 3.1Å; L318-V336 PolarHBondContact O-N 3.25Å; T334-V336 HydrophobicContact CG2-CG2 4.41Å; V336-Y338 HydrophobicContact CG1-CD1 4.31Å; V336-Y338 HydrophobicContact CG1-CD2 4.4Å; V336-Y338 HydrophobicContact CG1-CE1 4.25Å; V336-Y338 HydrophobicContact CG1-CE2 4.36Å; V336-Y338 HydrophobicContact CG1-CG 4.39Å; V336-Y338 WeakPolarHBondContact O-CD2 3.47Å
337	D	96.7	Very high	96.2	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.16	30%	0.3	C	S	.	.			trans	-90	-0.8	-177.7	76.8	-47.6	0	0	0	113.5	C314 R316 G339 T340 S341 L348	C314-D337 HydrophobicContact CB-CB 4.24Å; R316-D337 CarbonylContact O-C 3.21Å; R316-D337 VanDerWaalsContact O-CA 3.31Å; R316-D337 WeakPolarHBondContact O-CA 3.27Å; D337-G339 PolarHBondContact O-N 2.61Å; D337-G339 VanDerWaalsContact O-N 3.12Å; D337-G339 PolarHBondContact OD1-N 3.12Å; D337-G339 WeakPolarHBondContact OD2-CA 3.44Å; D337-G339 PolarHBondContact OD2-N 3.25Å; D337-T340 WeakPolarHBondContact O-CB 3.49Å; D337-T340 WeakPolarHBondContact O-CG2 3.49Å; D337-T340 PolarHBondContact O-N 3.35Å; D337-T340 PolarHBondContact O-OG1 3.39Å; D337-T340 PolarHBondContact OD2-N 2.96Å; D337-S341 WeakPolarHBondContact OD2-CA 3.5Å; D337-S341 WeakPolarHBondContact OD2-CB 3.12Å; D337-S341 PolarHBondContact OD2-N 3.05Å; D337-L348 HydrophobicContact CB-CD1 3.98Å
338	Y	95.7	Very high	96.3	Very high	70 Å²	70	50.1 Å²	50.1	28%	0.275	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	23.9	-176.6	-58.6	-86.8	0	0	0	114.2	Y144 G196 R316 L318 V336 T340	Y144-Y338 HydrophobicContact CE2-CE2 4.03Å; G196-Y338 WeakPolarHBondContact CA-O 3.29Å; R316-Y338 HydrophobicContact CB-CD2 4.38Å; R316-Y338 HydrophobicContact CG-CD2 3.73Å; R316-Y338 HydrophobicContact CG-CE2 4.16Å; R316-Y338 HydrophobicContact CG-CG 4.46Å; L318-Y338 HydrophobicContact CB-CE2 3.9Å; V336-Y338 HydrophobicContact CG1-CD1 4.31Å; V336-Y338 HydrophobicContact CG1-CD2 4.4Å; V336-Y338 HydrophobicContact CG1-CE1 4.25Å; V336-Y338 HydrophobicContact CG1-CE2 4.36Å; V336-Y338 HydrophobicContact CG1-CG 4.39Å; V336-Y338 WeakPolarHBondContact O-CD2 3.47Å; Y338-T340 VanDerWaalsContact C-N 3.34Å
339	G	93.6	Very high	96.4	Very high	56 Å²	56	51.7 Å²	51.7	58%	0.577	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	24	-175.2	0	0	0	0	0	114	D337	D337-G339 PolarHBondContact O-N 2.61Å; D337-G339 VanDerWaalsContact O-N 3.12Å; D337-G339 PolarHBondContact OD1-N 3.12Å; D337-G339 WeakPolarHBondContact OD2-CA 3.44Å; D337-G339 PolarHBondContact OD2-N 3.25Å
340	T	94.8	Very high	96.5	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.055	28%	0.276	C	S	.	.			trans	-100	4.5	177.4	70.5	0	0	0	0	113.6	R197 K315 R316 D337 Y338 L411	R197-T340 HydrophobicContact CG-CG2 3.91Å; K315-T340 HydrophobicContact CB-CG2 4.28Å; K315-T340 PolarHBondContact N-OG1 3.47Å; R316-T340 HydrophobicContact CB-CG2 4.2Å; R316-T340 PolarHBondContact N-OG1 3.25Å; R316-T340 VanDerWaalsContact N-OG1 3.07Å; R316-T340 PolarHBondContact O-OG1 3.36Å; R316-T340 VanDerWaalsContact O-OG1 3.09Å; D337-T340 WeakPolarHBondContact O-CB 3.49Å; D337-T340 WeakPolarHBondContact O-CG2 3.49Å; D337-T340 PolarHBondContact O-N 3.35Å; D337-T340 PolarHBondContact O-OG1 3.39Å; D337-T340 PolarHBondContact OD2-N 2.96Å; Y338-T340 VanDerWaalsContact C-N 3.34Å; T340-L411 VanDerWaalsContact O-CD1 3.31Å; T340-L411 WeakPolarHBondContact O-CD1 3.47Å
341	S	94.9	Very high	96.5	Very high	17 Å²	17	47.5 Å²	47.5	12%	0.119	27%	0.269	C	S	.	.			trans	-113.6	150.6	177.9	-174.4	0	0	0	0	111.6	I313 D337 F343	I313-S341 PolarHBondContact O-OG 3.3Å; I313-S341 VanDerWaalsContact O-OG 3.11Å; D337-S341 WeakPolarHBondContact OD2-CA 3.5Å; D337-S341 WeakPolarHBondContact OD2-CB 3.12Å; D337-S341 PolarHBondContact OD2-N 3.05Å; S341-F343 WeakPolarHBondContact OG-CB 3.35Å; S341-F343 WeakPolarHBondContact OG-CD2 3.43Å; S341-F343 PolarHBondContact OG-N 2.84Å
342	N	93.3	Very high	96.5	Very high	80 Å²	80	42.3 Å²	42.3	43%	0.428	24%	0.242	S	C	.	.	S	Bend	trans	-87.5	-9	167.2	-73.7	-17.7	0	0	0	112.8	K405 S408 S409	N342-K405 PolarHBondContact ND2-O 3.04Å; N342-S408 PolarHBondContact ND2-O 3.02Å; N342-S409 WeakPolarHBondContact ND2-CA 3.39Å; N342-S409 PolarHBondContact ND2-N 3.04Å
343	F	95.8	Very high	96.5	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.053	25%	0.249	C	C	.	.	S	Bend	trans	-84.7	146.7	178.6	-64.4	-81.5	0	0	0	111	I313 S341 E347 L348 I351 F402 K405 L406	I313-F343 HydrophobicContact CG1-CE2 4.42Å; I313-F343 HydrophobicContact CG2-CD2 3.74Å; I313-F343 HydrophobicContact CG2-CE2 4.06Å; S341-F343 WeakPolarHBondContact OG-CB 3.35Å; S341-F343 WeakPolarHBondContact OG-CD2 3.43Å; S341-F343 PolarHBondContact OG-N 2.84Å; F343-E347 WeakPolarHBondContact CA-OE2 3.31Å; F343-E347 HydrophobicContact CB-CB 4.04Å; F343-E347 HydrophobicContact CD1-CB 3.98Å; F343-L348 HydrophobicContact CB-CD2 3.84Å; F343-L348 HydrophobicContact CB-CG 3.78Å; F343-L348 HydrophobicContact CD2-CD2 4.45Å; F343-L348 HydrophobicContact CG-CD2 4.38Å; F343-I351 HydrophobicContact CD1-CD1 4.16Å; F343-I351 HydrophobicContact CE1-CD1 4.17Å; F343-I351 HydrophobicContact CG-CD1 4.39Å; F343-I351 HydrophobicContact CZ-CD1 4.39Å; F343-F402 HydrophobicContact CD1-CG 4.49Å; F343-F402 HydrophobicContact CE1-CB 3.63Å; F343-F402 HydrophobicContact CE1-CD1 4.44Å; F343-F402 AromaticContact CE1-CG 3.98Å; F343-F402 HydrophobicContact CE1-CG 3.98Å; F343-F402 HydrophobicContact CZ-CB 4.31Å; F343-F402 WeakPolarHBondContact CZ-O 3.17Å; F343-K405 HydrophobicContact CD1-CB 4.16Å; F343-K405 HydrophobicContact CD1-CD 4Å; F343-K405 HydrophobicContact CE1-CB 3.58Å; F343-K405 HydrophobicContact CE1-CD 4.12Å; F343-K405 HydrophobicContact CE1-CG 4.47Å; F343-K405 HydrophobicContact CE2-CB 4.34Å; F343-K405 HydrophobicContact CZ-CB 3.72Å; F343-L406 HydrophobicContact CE2-CB 4.42Å; F343-L406 HydrophobicContact CE2-CD1 4.29Å; F343-L406 HydrophobicContact CZ-CB 4.02Å
344	T	95	Very high	96.5	Very high	69 Å²	69	45.3 Å²	45.3	42%	0.423	26%	0.255	S	S	.	.			trans	-71.4	165.2	166.5	68.3	0	0	0	0	110.3	D346 E347 L348	T344-D346 VanDerWaalsContact C-N 3.3Å; T344-D346 PolarHBondContact O-N 2.93Å; T344-E347 PolarHBondContact N-OE2 3.09Å; T344-E347 PolarHBondContact O-N 2.95Å; T344-E347 VanDerWaalsContact OG1-CG 3.27Å; T344-E347 WeakPolarHBondContact OG1-CG 3.44Å; T344-E347 PolarHBondContact OG1-N 3.36Å; T344-E347 PolarHBondContact OG1-OE2 3.22Å; T344-L348 WeakPolarHBondContact O-CG 3.24Å; T344-L348 PolarHBondContact O-N 2.95Å
345	E	94.2	Very high	96.5	Very high	112 Å²	112	44 Å²	44	52%	0.523	25%	0.246	S	C	.	.	H	α-helix	trans	-57.6	-43	175.2	-171.9	174.5	179.4	0	0	112	V335 E347 L348 L349	V335-E345 HydrophobicContact CG1-CG 4.15Å; E345-E347 VanDerWaalsContact C-N 3.31Å; E345-E347 PolarHBondContact O-N 3.5Å; E345-L348 PolarHBondContact O-N 3.1Å; E345-L349 WeakPolarHBondContact O-CB 3.31Å; E345-L349 PolarHBondContact O-N 3.39Å
346	D	96.2	Very high	96.5	Very high	122 Å²	122	44 Å²	44	65%	0.652	25%	0.246	S	C	*	.	H	α-helix	trans	-61.2	-38.4	176.8	-66.9	-28	0	0	0	112.6	T344 T350	T344-D346 VanDerWaalsContact C-N 3.3Å; T344-D346 PolarHBondContact O-N 2.93Å; D346-T350 WeakPolarHBondContact O-CB 3.46Å; D346-T350 PolarHBondContact O-N 3.37Å; D346-T350 PolarHBondContact O-OG1 3.5Å
347	E	97.4	Very high	96.5	Very high	33 Å²	33	43.8 Å²	43.8	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-70.9	-41.4	177.4	-68.3	172.2	152.8	0	0	111.2	F343 T344 E345 T350 I351 F402 K405	F343-E347 WeakPolarHBondContact CA-OE2 3.31Å; F343-E347 HydrophobicContact CB-CB 4.04Å; F343-E347 HydrophobicContact CD1-CB 3.98Å; T344-E347 PolarHBondContact N-OE2 3.09Å; T344-E347 PolarHBondContact O-N 2.95Å; T344-E347 VanDerWaalsContact OG1-CG 3.27Å; T344-E347 WeakPolarHBondContact OG1-CG 3.44Å; T344-E347 PolarHBondContact OG1-N 3.36Å; T344-E347 PolarHBondContact OG1-OE2 3.22Å; E345-E347 VanDerWaalsContact C-N 3.31Å; E345-E347 PolarHBondContact O-N 3.5Å; E347-T350 WeakPolarHBondContact O-CB 3.36Å; E347-T350 PolarHBondContact O-N 2.86Å; E347-I351 WeakPolarHBondContact O-CG1 3.42Å; E347-I351 PolarHBondContact O-N 2.66Å; E347-F402 HydrophobicContact CB-CE1 4.17Å; E347-F402 HydrophobicContact CB-CE2 4.39Å; E347-F402 HydrophobicContact CB-CZ 3.99Å; E347-F402 HydrophobicContact CG-CD1 4.38Å; E347-F402 HydrophobicContact CG-CE1 3.63Å; E347-F402 HydrophobicContact CG-CZ 3.79Å; E347-K405 IonicContact OE1-NZ 2.65Å; E347-K405 PolarHBondContact OE1-NZ 3.35Å; E347-K405 IonicContact OE2-NZ 2.67Å; E347-K405 PolarHBondContact OE2-NZ 3.24Å
348	L	97.8	Very high	96.6	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-44.9	173.5	-70.5	171.6	0	0	0	111.1	I313 V335 D337 F343 T344 E345 T350 I351 I352	I313-L348 HydrophobicContact CG2-CD2 3.29Å; V335-L348 HydrophobicContact CG1-CB 3.58Å; V335-L348 HydrophobicContact CG1-CD1 4.29Å; V335-L348 HydrophobicContact CG2-CB 4.22Å; V335-L348 HydrophobicContact CG2-CD1 4.07Å; D337-L348 HydrophobicContact CB-CD1 3.98Å; F343-L348 HydrophobicContact CB-CD2 3.84Å; F343-L348 HydrophobicContact CB-CG 3.78Å; F343-L348 HydrophobicContact CD2-CD2 4.45Å; F343-L348 HydrophobicContact CG-CD2 4.38Å; T344-L348 WeakPolarHBondContact O-CG 3.24Å; T344-L348 PolarHBondContact O-N 2.95Å; E345-L348 PolarHBondContact O-N 3.1Å; L348-T350 VanDerWaalsContact C-N 3.31Å; L348-T350 PolarHBondContact O-N 3Å; L348-I351 PolarHBondContact O-N 3.45Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.44Å; L348-I352 PolarHBondContact O-N 2.94Å
349	L	97.7	Very high	96.7	Very high	50 Å²	50	41.9 Å²	41.9	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-38.9	176.5	-178.1	59.8	0	0	0	111.5	I333 E345 I352 N353	I333-L349 HydrophobicContact CB-CD1 4Å; I333-L349 HydrophobicContact CG2-CD1 3.94Å; E345-L349 WeakPolarHBondContact O-CB 3.31Å; E345-L349 PolarHBondContact O-N 3.39Å; L349-I352 PolarHBondContact O-N 3.42Å; L349-N353 WeakPolarHBondContact O-CB 3.3Å; L349-N353 VanDerWaalsContact O-CG 3.31Å; L349-N353 PolarHBondContact O-N 2.85Å; L349-N353 PolarHBondContact O-ND2 3.39Å
350	T	97.8	Very high	96.8	Very high	36 Å²	36	39.2 Å²	39.2	22%	0.221	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-49	173.5	-61.2	0	0	0	0	111	D346 E347 L348 I352 N353 D354 F402	D346-T350 WeakPolarHBondContact O-CB 3.46Å; D346-T350 PolarHBondContact O-N 3.37Å; D346-T350 PolarHBondContact O-OG1 3.5Å; E347-T350 WeakPolarHBondContact O-CB 3.36Å; E347-T350 PolarHBondContact O-N 2.86Å; L348-T350 VanDerWaalsContact C-N 3.31Å; L348-T350 PolarHBondContact O-N 3Å; T350-I352 VanDerWaalsContact C-N 3.28Å; T350-I352 PolarHBondContact O-N 2.55Å; T350-N353 PolarHBondContact O-N 3.09Å; T350-D354 WeakPolarHBondContact O-CB 3.3Å; T350-D354 PolarHBondContact O-N 3.02Å; T350-F402 HydrophobicContact CG2-CE2 3.87Å; T350-F402 HydrophobicContact CG2-CZ 4.19Å
351	I	98.1	Very high	96.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-41.7	176.3	-66.7	163.3	0	0	0	110.8	L308 I313 F343 E347 L348 N355 L396 I398 F402	L308-I351 HydrophobicContact CD2-CG2 4.19Å; I313-I351 HydrophobicContact CD1-CD1 4.31Å; I313-I351 HydrophobicContact CD1-CG2 3.97Å; F343-I351 HydrophobicContact CD1-CD1 4.16Å; F343-I351 HydrophobicContact CE1-CD1 4.17Å; F343-I351 HydrophobicContact CG-CD1 4.39Å; F343-I351 HydrophobicContact CZ-CD1 4.39Å; E347-I351 WeakPolarHBondContact O-CG1 3.42Å; E347-I351 PolarHBondContact O-N 2.66Å; L348-I351 PolarHBondContact O-N 3.45Å; I351-N355 WeakPolarHBondContact O-CB 3.49Å; I351-N355 PolarHBondContact O-N 3.3Å; I351-N355 PolarHBondContact O-ND2 3.44Å; I351-L396 HydrophobicContact CG2-CD1 4.34Å; I351-I398 HydrophobicContact CD1-CD1 4.33Å; I351-I398 HydrophobicContact CG1-CD1 4.34Å; I351-I398 HydrophobicContact CG2-CD1 3.92Å; I351-F402 HydrophobicContact CD1-CD2 4.08Å; I351-F402 HydrophobicContact CG1-CD2 3.81Å; I351-F402 HydrophobicContact CG1-CE2 4.08Å
352	I	98.3	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-52.5	177.6	-67.8	164.3	0	0	0	110.3	V304 L308 I319 I333 V335 L348 L349 T350 D354 N355 F356	V304-I352 HydrophobicContact CG1-CD1 4.11Å; V304-I352 HydrophobicContact CG1-CG1 3.81Å; V304-I352 HydrophobicContact CG1-CG2 4.12Å; L308-I352 HydrophobicContact CD1-CD1 4.14Å; L308-I352 HydrophobicContact CD1-CG1 4.17Å; L308-I352 HydrophobicContact CD2-CG1 4.5Å; I319-I352 HydrophobicContact CD1-CD1 3.8Å; I333-I352 HydrophobicContact CG2-CG2 4.3Å; V335-I352 HydrophobicContact CB-CD1 3.87Å; V335-I352 HydrophobicContact CG1-CD1 4.15Å; V335-I352 HydrophobicContact CG2-CD1 4.17Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.44Å; L348-I352 PolarHBondContact O-N 2.94Å; L349-I352 PolarHBondContact O-N 3.42Å; T350-I352 VanDerWaalsContact C-N 3.28Å; T350-I352 PolarHBondContact O-N 2.55Å; I352-D354 VanDerWaalsContact C-N 3.31Å; I352-D354 PolarHBondContact O-N 2.8Å; I352-N355 PolarHBondContact O-N 3.36Å; I352-N355 VanDerWaalsContact O-N 3.09Å; I352-F356 HydrophobicContact CG2-CB 4.48Å; I352-F356 HydrophobicContact CG2-CD2 4.37Å; I352-F356 WeakPolarHBondContact O-CB 3.42Å; I352-F356 WeakPolarHBondContact O-CD2 3.3Å; I352-F356 PolarHBondContact O-N 2.92Å
353	N	97.5	Very high	97.2	Very high	88 Å²	88	34.4 Å²	34.4	47%	0.471	18%	0.178	S	C	.	.	H	α-helix	trans	-65.4	-32.2	-176.4	-71.1	-27.6	0	0	0	113.2	L349 T350 N355	L349-N353 WeakPolarHBondContact O-CB 3.3Å; L349-N353 VanDerWaalsContact O-CG 3.31Å; L349-N353 PolarHBondContact O-N 2.85Å; L349-N353 PolarHBondContact O-ND2 3.39Å; T350-N353 PolarHBondContact O-N 3.09Å; N353-N355 VanDerWaalsContact C-N 3.25Å; N353-N355 PolarHBondContact O-N 2.88Å
354	D	97.8	Very high	97.2	Very high	57 Å²	57	34.2 Å²	34.2	31%	0.305	18%	0.178	S	C	.	.	H	α-helix	trans	-69.8	-24.1	175.9	-70.6	-16	0	0	0	112.7	T350 I352 R399	T350-D354 WeakPolarHBondContact O-CB 3.3Å; T350-D354 PolarHBondContact O-N 3.02Å; I352-D354 VanDerWaalsContact C-N 3.31Å; I352-D354 PolarHBondContact O-N 2.8Å; D354-R399 IonicContact OD1-CZ 3.54Å; D354-R399 IonicContact OD1-NE 2.67Å; D354-R399 IonicContact OD1-NH2 3.66Å; D354-R399 PolarHBondContact OD1-NH2 2.98Å; D354-R399 IonicContact OD2-CZ 3.67Å; D354-R399 IonicContact OD2-NE 2.8Å; D354-R399 PolarHBondContact OD2-NE 3.08Å; D354-R399 IonicContact OD2-NH2 3.73Å; D354-R399 PolarHBondContact OD2-NH2 3.29Å
355	N	98.3	Very high	97.3	Very high	14 Å²	14	36.2 Å²	36.2	8%	0.075	18%	0.177	C	C	.	.	H	α-helix	trans	-113.1	-24.3	-170.3	-75	-80.5	0	0	0	114.4	I351 I352 N353 K394 L396 M397	I351-N355 WeakPolarHBondContact O-CB 3.49Å; I351-N355 PolarHBondContact O-N 3.3Å; I351-N355 PolarHBondContact O-ND2 3.44Å; I352-N355 PolarHBondContact O-N 3.36Å; I352-N355 VanDerWaalsContact O-N 3.09Å; N353-N355 VanDerWaalsContact C-N 3.25Å; N353-N355 PolarHBondContact O-N 2.88Å; N355-K394 WeakPolarHBondContact O-CD 3.35Å; N355-K394 VanDerWaalsContact O-CE 3.29Å; N355-K394 WeakPolarHBondContact O-CE 3.34Å; N355-K394 PolarHBondContact O-NZ 3.05Å; N355-L396 HydrophobicContact CB-CD2 3.95Å; N355-L396 WeakPolarHBondContact OD1-CA 3.39Å; N355-M397 PolarHBondContact ND2-O 3.36Å; N355-M397 PolarHBondContact OD1-N 3.22Å
356	F	98.4	Very high	97.5	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.031	17%	0.174	C	C	.	.			trans	-131.6	118	-170.2	-59.7	-82.9	0	0	0	111.2	W303 V304 I352 L358 K394 L396	W303-F356 HydrophobicContact CD2-CD1 4.13Å; W303-F356 AromaticContact CD2-CE1 3.71Å; W303-F356 HydrophobicContact CD2-CE1 3.71Å; W303-F356 AromaticContact CE2-CE1 3.87Å; W303-F356 AromaticContact CE3-CD1 3.55Å; W303-F356 HydrophobicContact CE3-CD1 3.55Å; W303-F356 AromaticContact CE3-CE1 3.64Å; W303-F356 HydrophobicContact CE3-CE1 3.64Å; W303-F356 HydrophobicContact CG-CE1 4.43Å; W303-F356 AromaticContact CH2-CD1 3.95Å; W303-F356 HydrophobicContact CH2-CD1 3.95Å; W303-F356 HydrophobicContact CH2-CE1 4Å; W303-F356 HydrophobicContact CZ2-CD1 4.45Å; W303-F356 HydrophobicContact CZ2-CE1 4.03Å; W303-F356 AromaticContact CZ3-CD1 3.47Å; W303-F356 HydrophobicContact CZ3-CD1 3.47Å; W303-F356 VanDerWaalsContact CZ3-CD1 3.47Å; W303-F356 AromaticContact CZ3-CE1 3.81Å; W303-F356 HydrophobicContact CZ3-CE1 3.81Å; V304-F356 HydrophobicContact CG1-CD2 4.3Å; V304-F356 HydrophobicContact CG1-CE2 4.27Å; V304-F356 HydrophobicContact CG2-CB 4.07Å; V304-F356 HydrophobicContact CG2-CD1 3.76Å; V304-F356 HydrophobicContact CG2-CD2 3.92Å; V304-F356 HydrophobicContact CG2-CE1 4.12Å; V304-F356 HydrophobicContact CG2-CE2 4.26Å; V304-F356 HydrophobicContact CG2-CG 3.65Å; V304-F356 HydrophobicContact CG2-CZ 4.35Å; I352-F356 HydrophobicContact CG2-CB 4.48Å; I352-F356 HydrophobicContact CG2-CD2 4.37Å; I352-F356 WeakPolarHBondContact O-CB 3.42Å; I352-F356 WeakPolarHBondContact O-CD2 3.3Å; I352-F356 PolarHBondContact O-N 2.92Å; F356-L358 HydrophobicContact CB-CD2 4.03Å; F356-L358 HydrophobicContact CB-CG 4.25Å; F356-K394 HydrophobicContact CD1-CD 4.22Å; F356-K394 HydrophobicContact CE1-CB 3.89Å; F356-K394 HydrophobicContact CE1-CD 3.82Å; F356-K394 HydrophobicContact CE1-CG 4.48Å; F356-K394 HydrophobicContact CZ-CB 3.94Å; F356-K394 HydrophobicContact CZ-CD 4.25Å; F356-L396 HydrophobicContact CE2-CD2 3.48Å; F356-L396 VanDerWaalsContact CE2-CD2 3.48Å; F356-L396 HydrophobicContact CZ-CD2 3.55Å
357	D	97.6	Very high	97.6	Very high	55 Å²	55	29.8 Å²	29.8	29%	0.294	14%	0.144	S	C	.	.			trans	-94.4	107.3	166.4	-178.8	-21.1	0	0	0	108.1	R359 V362	D357-R359 VanDerWaalsContact C-N 3.32Å; D357-R359 WeakPolarHBondContact OD1-CB 3.26Å; D357-R359 VanDerWaalsContact OD1-CG 3.32Å; D357-R359 WeakPolarHBondContact OD1-CG 3.35Å; D357-R359 IonicContact OD1-CZ 2.69Å; D357-R359 PolarHBondContact OD1-N 3.37Å; D357-R359 VanDerWaalsContact OD1-N 3.11Å; D357-R359 IonicContact OD1-NE 3.35Å; D357-R359 PolarHBondContact OD1-NE 3.45Å; D357-R359 IonicContact OD1-NH2 3.13Å; D357-R359 IonicContact OD2-CZ 2.87Å; D357-R359 VanDerWaalsContact OD2-CZ 3.3Å; D357-R359 IonicContact OD2-NE 2.7Å; D357-R359 PolarHBondContact OD2-NE 2.71Å; D357-R359 IonicContact OD2-NH2 2.76Å; D357-R359 PolarHBondContact OD2-NH2 3.29Å; D357-V362 HydrophobicContact CB-CB 4.3Å; D357-V362 HydrophobicContact CB-CG1 3.65Å
358	L	97.9	Very high	97.6	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	16%	0.158	C	C	.	.			trans	-93.7	19.5	-173.3	-59.8	-178.8	0	0	0	112.6	V304 V321 Y323 P330 I333 F356 I363	V304-L358 HydrophobicContact CG2-CD1 4.32Å; V304-L358 HydrophobicContact CG2-CD2 3.97Å; V321-L358 HydrophobicContact CG1-CD1 3.76Å; Y323-L358 WeakPolarHBondContact CE1-O 3.45Å; Y323-L358 PolarHBondContact OH-O 3.02Å; P330-L358 HydrophobicContact CG-CB 3.95Å; I333-L358 HydrophobicContact CD1-CD1 4.04Å; I333-L358 HydrophobicContact CG1-CD1 4.46Å; F356-L358 HydrophobicContact CB-CD2 4.03Å; F356-L358 HydrophobicContact CB-CG 4.25Å; L358-I363 HydrophobicContact CB-CD1 4.3Å; L358-I363 HydrophobicContact CD2-CD1 4.3Å; L358-I363 HydrophobicContact CD2-CG1 4.42Å; L358-I363 WeakPolarHBondContact O-CD1 3.43Å
359	R	97.7	Very high	97.6	Very high	55 Å²	55	32.1 Å²	32.1	21%	0.208	16%	0.157	C	C	.	.			trans	-66.3	141	168.7	-67.7	179.3	-75.5	-173.4	3.8	110.8	A328 E329 D357 G361 V362 I363	A328-R359 HydrophobicContact CB-CG 4.37Å; A328-R359 WeakPolarHBondContact O-CA 3.48Å; A328-R359 WeakPolarHBondContact O-CG 3.46Å; E329-R359 VanDerWaalsContact OE1-CD 3.29Å; E329-R359 WeakPolarHBondContact OE1-CD 3.29Å; E329-R359 IonicContact OE1-NE 3.22Å; E329-R359 IonicContact OE1-NH1 2.67Å; E329-R359 WeakPolarHBondContact OE2-CG 3.46Å; D357-R359 VanDerWaalsContact C-N 3.32Å; D357-R359 WeakPolarHBondContact OD1-CB 3.26Å; D357-R359 VanDerWaalsContact OD1-CG 3.32Å; D357-R359 WeakPolarHBondContact OD1-CG 3.35Å; D357-R359 IonicContact OD1-CZ 2.69Å; D357-R359 PolarHBondContact OD1-N 3.37Å; D357-R359 VanDerWaalsContact OD1-N 3.11Å; D357-R359 IonicContact OD1-NE 3.35Å; D357-R359 PolarHBondContact OD1-NE 3.45Å; D357-R359 IonicContact OD1-NH2 3.13Å; D357-R359 IonicContact OD2-CZ 2.87Å; D357-R359 VanDerWaalsContact OD2-CZ 3.3Å; D357-R359 IonicContact OD2-NE 2.7Å; D357-R359 PolarHBondContact OD2-NE 2.71Å; D357-R359 IonicContact OD2-NH2 2.76Å; D357-R359 PolarHBondContact OD2-NH2 3.29Å; R359-G361 PolarHBondContact O-N 2.85Å; R359-V362 HydrophobicContact CB-CB 4.3Å; R359-V362 HydrophobicContact CB-CG2 4.02Å; R359-V362 WeakPolarHBondContact O-CA 3.17Å; R359-V362 PolarHBondContact O-N 3.09Å; R359-I363 WeakPolarHBondContact O-CG1 3.31Å; R359-I363 PolarHBondContact O-N 3.08Å
360	P	95.6	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-52.1	-50.2	-173.2	-28.6	34	0	0	0	113.7	A135 V293 Y323 A328 V362 I363 I364	A135-P360 HydrophobicContact CB-CG 4.38Å; V293-P360 HydrophobicContact CG1-CB 4.02Å; V293-P360 HydrophobicContact CG1-CG 3.59Å; Y323-P360 HydrophobicContact CD1-CG 4.3Å; Y323-P360 HydrophobicContact CE1-CG 4.1Å; A328-P360 WeakPolarHBondContact O-CD 3.37Å; P360-V362 VanDerWaalsContact C-N 3.31Å; P360-V362 PolarHBondContact O-N 2.85Å; P360-I363 PolarHBondContact O-N 3.01Å; P360-I364 VanDerWaalsContact O-CG1 3.23Å; P360-I364 WeakPolarHBondContact O-CG1 3.46Å; P360-I364 PolarHBondContact O-N 2.8Å
361	G	96	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.4	-28	179.3	0	0	0	0	0	114.1	M130 R359 I364 R365	M130-G361 WeakPolarHBondContact CG-O 3.26Å; M130-G361 VanDerWaalsContact O-CA 3.29Å; M130-G361 WeakPolarHBondContact O-CA 3.22Å; M130-G361 VanDerWaalsContact SD-CA 3.54Å; R359-G361 PolarHBondContact O-N 2.85Å; G361-I364 PolarHBondContact O-N 3.33Å; G361-R365 PolarHBondContact O-N 2.81Å
362	V	97.3	Very high	97.6	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-71.7	-41.6	174.7	-177.7	0	0	0	0	110.7	E131 D357 R359 P360 I364 R365 E366	E131-V362 HydrophobicContact CG-CG2 4.22Å; D357-V362 HydrophobicContact CB-CB 4.3Å; D357-V362 HydrophobicContact CB-CG1 3.65Å; R359-V362 HydrophobicContact CB-CB 4.3Å; R359-V362 HydrophobicContact CB-CG2 4.02Å; R359-V362 WeakPolarHBondContact O-CA 3.17Å; R359-V362 PolarHBondContact O-N 3.09Å; P360-V362 VanDerWaalsContact C-N 3.31Å; P360-V362 PolarHBondContact O-N 2.85Å; V362-I364 VanDerWaalsContact C-N 3.33Å; V362-I364 PolarHBondContact O-N 3.37Å; V362-R365 PolarHBondContact O-N 3.38Å; V362-E366 HydrophobicContact CG1-CG 4.02Å; V362-E366 WeakPolarHBondContact O-CB 3.41Å; V362-E366 WeakPolarHBondContact O-CG 3.24Å; V362-E366 PolarHBondContact O-N 3.07Å
363	I	98	Very high	97.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-46.6	171.3	-64.5	172.6	0	0	0	110.6	S296 A297 L358 R359 P360 R365 E366 L367 L369	S296-I363 WeakPolarHBondContact O-CG2 3.43Å; A297-I363 HydrophobicContact CB-CD1 4.47Å; L358-I363 HydrophobicContact CB-CD1 4.3Å; L358-I363 HydrophobicContact CD2-CD1 4.3Å; L358-I363 HydrophobicContact CD2-CG1 4.42Å; L358-I363 WeakPolarHBondContact O-CD1 3.43Å; R359-I363 WeakPolarHBondContact O-CG1 3.31Å; R359-I363 PolarHBondContact O-N 3.08Å; P360-I363 PolarHBondContact O-N 3.01Å; I363-R365 VanDerWaalsContact C-N 3.27Å; I363-R365 PolarHBondContact O-N 3.16Å; I363-E366 PolarHBondContact O-N 2.85Å; I363-L367 HydrophobicContact CG2-CD1 3.75Å; I363-L367 HydrophobicContact CG2-CG 4.36Å; I363-L367 WeakPolarHBondContact O-CB 3.28Å; I363-L367 PolarHBondContact O-N 2.81Å; I363-L369 HydrophobicContact CG2-CD1 4.3Å
364	I	97.4	Very high	97.6	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.041	18%	0.176	C	C	.	.	H	α-helix	trans	-55.7	-43.8	177.6	-70	171.3	0	0	0	111.3	M130 P290 P360 G361 V362 D368 L369 L370	M130-I364 HydrophobicContact SD-CB 4.49Å; M130-I364 HydrophobicContact SD-CG2 4.4Å; P290-I364 HydrophobicContact CB-CD1 3.84Å; P290-I364 HydrophobicContact CB-CG1 3.61Å; P290-I364 WeakPolarHBondContact O-CD1 3.41Å; P360-I364 VanDerWaalsContact O-CG1 3.23Å; P360-I364 WeakPolarHBondContact O-CG1 3.46Å; P360-I364 PolarHBondContact O-N 2.8Å; G361-I364 PolarHBondContact O-N 3.33Å; V362-I364 VanDerWaalsContact C-N 3.33Å; V362-I364 PolarHBondContact O-N 3.37Å; I364-D368 WeakPolarHBondContact O-CA 3.36Å; I364-D368 PolarHBondContact O-N 2.87Å; I364-D368 VanDerWaalsContact O-N 3.08Å; I364-L369 HydrophobicContact CG1-CD1 4.49Å; I364-L369 HydrophobicContact CG2-CB 4.37Å; I364-L369 PolarHBondContact O-N 3.42Å; I364-L370 HydrophobicContact CG2-CD1 4.07Å; I364-L370 HydrophobicContact CG2-CD2 3.57Å; I364-L370 HydrophobicContact CG2-CG 3.55Å
365	R	97.1	Very high	97.5	Very high	111 Å²	111	35.1 Å²	35.1	42%	0.419	17%	0.169	S	C	.	.	H	α-helix	trans	-70.3	-51.9	179.1	179.1	-179	61	-130.4	4.8	112.5	E131 G361 V362 I363 L367 D368	E131-R365 IonicContact OE1-CZ 2.67Å; E131-R365 IonicContact OE1-NH1 3.48Å; E131-R365 PolarHBondContact OE1-NH1 3.01Å; E131-R365 IonicContact OE1-NH2 3.47Å; G361-R365 PolarHBondContact O-N 2.81Å; V362-R365 PolarHBondContact O-N 3.38Å; I363-R365 VanDerWaalsContact C-N 3.27Å; I363-R365 PolarHBondContact O-N 3.16Å; R365-L367 VanDerWaalsContact C-N 3.3Å; R365-L367 PolarHBondContact O-N 3.11Å; R365-D368 PolarHBondContact O-N 2.92Å
366	E	97.4	Very high	97.4	Very high	95 Å²	95	38.4 Å²	38.4	44%	0.444	18%	0.183	S	C	.	.	H	α-helix	trans	-64.1	-35.8	-175.6	-70.6	-81.7	134.1	0	0	112	W303 V362 I363 K394	W303-E366 HydrophobicContact CH2-CB 4.12Å; W303-E366 HydrophobicContact CZ3-CB 4.31Å; V362-E366 HydrophobicContact CG1-CG 4.02Å; V362-E366 WeakPolarHBondContact O-CB 3.41Å; V362-E366 WeakPolarHBondContact O-CG 3.24Å; V362-E366 PolarHBondContact O-N 3.07Å; I363-E366 PolarHBondContact O-N 2.85Å; E366-K394 IonicContact OE2-NZ 3.29Å; E366-K394 PolarHBondContact OE2-NZ 2.94Å
367	L	98.1	Very high	97.4	Very high	4 Å²	4	38 Å²	38	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	3	179.1	-59.5	-177.9	0	0	0	113.5	W303 I363 R365 L369 A389 W390	W303-L367 HydrophobicContact CD2-CD2 3.84Å; W303-L367 HydrophobicContact CE3-CD2 4.06Å; W303-L367 HydrophobicContact CG-CD2 4.1Å; W303-L367 HydrophobicContact CZ2-CD2 4.49Å; W303-L367 HydrophobicContact CZ3-CD2 4.46Å; I363-L367 HydrophobicContact CG2-CD1 3.75Å; I363-L367 HydrophobicContact CG2-CG 4.36Å; I363-L367 WeakPolarHBondContact O-CB 3.28Å; I363-L367 PolarHBondContact O-N 2.81Å; R365-L367 VanDerWaalsContact C-N 3.3Å; R365-L367 PolarHBondContact O-N 3.11Å; L367-L369 HydrophobicContact CB-CD1 4.23Å; L367-L369 HydrophobicContact CB-CD2 3.78Å; L367-L369 HydrophobicContact CB-CG 3.75Å; L367-L369 PolarHBondContact O-N 3.36Å; L367-A389 HydrophobicContact CB-CB 4.24Å; L367-A389 HydrophobicContact CD2-CB 4.29Å; L367-A389 VanDerWaalsContact O-CB 3.24Å; L367-A389 WeakPolarHBondContact O-CB 3.45Å; L367-W390 HydrophobicContact CD1-CB 4.08Å; L367-W390 HydrophobicContact CD2-CB 4.4Å
368	D	97.5	Very high	97.3	Very high	84 Å²	84	35.4 Å²	35.4	45%	0.449	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	48.8	173.8	-169.8	26	0	0	0	113	I364 R365 K371	I364-D368 WeakPolarHBondContact O-CA 3.36Å; I364-D368 PolarHBondContact O-N 2.87Å; I364-D368 VanDerWaalsContact O-N 3.08Å; R365-D368 PolarHBondContact O-N 2.92Å; D368-K371 VanDerWaalsContact CG-CE 3.45Å; D368-K371 VanDerWaalsContact CG-NZ 3.32Å; D368-K371 WeakPolarHBondContact OD1-CE 3.37Å; D368-K371 IonicContact OD1-NZ 2.79Å; D368-K371 PolarHBondContact OD1-NZ 2.88Å; D368-K371 WeakPolarHBondContact OD2-CE 3.43Å; D368-K371 IonicContact OD2-NZ 3.74Å; D368-K371 PolarHBondContact OD2-NZ 3.5Å
369	L	98.3	Very high	97.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.			trans	-82.5	-10.1	-167.5	-64.4	-174.7	0	0	0	114.4	P290 Y299 I363 I364 L367 K371 Y374 W390	P290-L369 HydrophobicContact CB-CB 3.8Å; P290-L369 HydrophobicContact CB-CD1 4.17Å; P290-L369 HydrophobicContact CG-CB 3.71Å; P290-L369 WeakPolarHBondContact CG-O 3.42Å; Y299-L369 HydrophobicContact CD2-CD2 4.41Å; I363-L369 HydrophobicContact CG2-CD1 4.3Å; I364-L369 HydrophobicContact CG1-CD1 4.49Å; I364-L369 HydrophobicContact CG2-CB 4.37Å; I364-L369 PolarHBondContact O-N 3.42Å; L367-L369 HydrophobicContact CB-CD1 4.23Å; L367-L369 HydrophobicContact CB-CD2 3.78Å; L367-L369 HydrophobicContact CB-CG 3.75Å; L367-L369 PolarHBondContact O-N 3.36Å; L369-K371 PolarHBondContact O-N 2.71Å; L369-Y374 WeakPolarHBondContact CA-OH 3.28Å; L369-Y374 VanDerWaalsContact CB-OH 3.31Å; L369-Y374 WeakPolarHBondContact CB-OH 3.39Å; L369-Y374 PolarHBondContact O-OH 3.27Å; L369-W390 HydrophobicContact CD2-CE3 4.16Å; L369-W390 HydrophobicContact CD2-CZ3 3.98Å
370	L	97.5	Very high	97.1	Very high	47 Å²	47	35.9 Å²	35.9	25%	0.246	17%	0.173	C	C	.	.	S	Bend	trans	-82.5	50.4	-179.5	-56	-176.7	0	0	0	111.9	P53 M130 P290 I364	P53-L370 HydrophobicContact CB-CB 4.17Å; P53-L370 WeakPolarHBondContact O-CD2 3.32Å; M130-L370 HydrophobicContact CE-CD1 4.4Å; P290-L370 HydrophobicContact CG-CD2 4.24Å; I364-L370 HydrophobicContact CG2-CD1 4.07Å; I364-L370 HydrophobicContact CG2-CD2 3.57Å; I364-L370 HydrophobicContact CG2-CG 3.55Å
371	K	97.3	Very high	97.2	Very high	93 Å²	93	36 Å²	36	40%	0.404	17%	0.173	S	C	.	.	S	Bend	trans	-139.8	152.6	-173.5	-68.5	-174.9	173.6	179	0	112	D368 L369 I373 Y374	D368-K371 VanDerWaalsContact CG-CE 3.45Å; D368-K371 VanDerWaalsContact CG-NZ 3.32Å; D368-K371 WeakPolarHBondContact OD1-CE 3.37Å; D368-K371 IonicContact OD1-NZ 2.79Å; D368-K371 PolarHBondContact OD1-NZ 2.88Å; D368-K371 WeakPolarHBondContact OD2-CE 3.43Å; D368-K371 IonicContact OD2-NZ 3.74Å; D368-K371 PolarHBondContact OD2-NZ 3.5Å; L369-K371 PolarHBondContact O-N 2.71Å; K371-I373 VanDerWaalsContact C-N 3.33Å; K371-I373 HydrophobicContact CB-CG2 3.93Å; K371-I373 PolarHBondContact O-N 3.46Å; K371-Y374 WeakPolarHBondContact O-CE2 3.44Å
372	P	98	Very high	97.3	Very high	66 Å²	66	36 Å²	36	43%	0.429	17%	0.173	S	C	.	.	S	Bend	trans	-76.7	79.4	177	32.8	-36.8	0	0	0	111.5	D46 A50	D46-P372 HydrophobicContact CB-CB 3.85Å; D46-P372 WeakPolarHBondContact O-CB 3.26Å; D46-P372 VanDerWaalsContact OD1-CA 3.25Å; D46-P372 WeakPolarHBondContact OD1-CA 3.48Å; A50-P372 HydrophobicContact CB-CB 4.16Å; A50-P372 HydrophobicContact CB-CG 4.1Å
373	I	98	Very high	97.4	Very high	54 Å²	54	36.1 Å²	36.1	28%	0.277	17%	0.174	S	C	.	.			trans	-125.2	0.4	-175	63.8	170.5	0	0	0	113.7	D46 K371 W390	D46-I373 PolarHBondContact OD1-N 2.83Å; K371-I373 VanDerWaalsContact C-N 3.33Å; K371-I373 HydrophobicContact CB-CG2 3.93Å; K371-I373 PolarHBondContact O-N 3.46Å; I373-W390 HydrophobicContact CD1-CZ3 4.24Å
374	Y	98.6	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.			trans	-87.5	-30.7	-161.8	-64.9	-74.6	0	0	0	113.9	L45 D46 L49 P290 Y299 L369 K371 E376 T377	L45-Y374 HydrophobicContact CD2-CD1 4.34Å; L45-Y374 HydrophobicContact CD2-CD2 3.46Å; L45-Y374 VanDerWaalsContact CD2-CD2 3.46Å; L45-Y374 HydrophobicContact CD2-CE2 4.08Å; L45-Y374 HydrophobicContact CD2-CG 3.62Å; L45-Y374 HydrophobicContact CG-CD2 3.99Å; D46-Y374 WeakPolarHBondContact OD1-CB 3.44Å; D46-Y374 WeakPolarHBondContact OD1-CD2 3.1Å; D46-Y374 PolarHBondContact OD1-N 3.07Å; D46-Y374 PolarHBondContact OD2-N 3.03Å; L49-Y374 HydrophobicContact CD1-CD2 3.81Å; L49-Y374 HydrophobicContact CD1-CE2 3.42Å; L49-Y374 VanDerWaalsContact CD1-CE2 3.42Å; P290-Y374 HydrophobicContact CG-CE2 4.48Å; P290-Y374 VanDerWaalsContact CG-OH 3.23Å; P290-Y374 WeakPolarHBondContact CG-OH 3.36Å; Y299-Y374 HydrophobicContact CE2-CE1 4.14Å; L369-Y374 WeakPolarHBondContact CA-OH 3.28Å; L369-Y374 VanDerWaalsContact CB-OH 3.31Å; L369-Y374 WeakPolarHBondContact CB-OH 3.39Å; L369-Y374 PolarHBondContact O-OH 3.27Å; K371-Y374 WeakPolarHBondContact O-CE2 3.44Å; Y374-E376 PolarHBondContact O-N 2.83Å; Y374-E376 VanDerWaalsContact O-N 3.13Å; Y374-T377 WeakPolarHBondContact O-CA 3.42Å; Y374-T377 VanDerWaalsContact O-CB 3.28Å; Y374-T377 WeakPolarHBondContact O-CB 3.28Å; Y374-T377 PolarHBondContact O-N 2.99Å; Y374-T377 PolarHBondContact O-OG1 3.39Å
375	K	96.6	Very high	97.3	Very high	34 Å²	34	38.5 Å²	38.5	15%	0.148	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.5	-178.7	-176.4	175.5	179.8	169.9	0	113.2	A43 D46 T89 T377	A43-K375 HydrophobicContact CB-CD 3.85Å; A43-K375 HydrophobicContact CB-CG 4.41Å; D46-K375 WeakPolarHBondContact OD2-CB 3.46Å; D46-K375 PolarHBondContact OD2-N 3.1Å; T89-K375 PolarHBondContact OG1-NZ 3.21Å; K375-T377 VanDerWaalsContact C-N 3.27Å; K375-T377 PolarHBondContact O-N 2.88Å
376	E	95.6	Very high	97.3	Very high	83 Å²	83	37.9 Å²	37.9	39%	0.388	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.2	176.5	-67.3	-55	137.8	0	0	113.6	Y374 R379 K385 F388	Y374-E376 PolarHBondContact O-N 2.83Å; Y374-E376 VanDerWaalsContact O-N 3.13Å; E376-R379 VanDerWaalsContact CD-NH1 3.34Å; E376-R379 IonicContact OE1-CZ 3.5Å; E376-R379 IonicContact OE1-NH1 3.87Å; E376-R379 PolarHBondContact OE1-NH1 2.85Å; E376-R379 IonicContact OE2-NH1 2.72Å; E376-R379 PolarHBondContact OE2-NH1 2.96Å; E376-R379 VanDerWaalsContact OE2-NH1 3.08Å; E376-K385 PolarHBondContact O-NZ 2.79Å; E376-F388 HydrophobicContact CB-CZ 4.29Å
377	T	97.9	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.4	175.7	72.8	0	0	0	0	111.7	D42 Y374 K375 R379 G381 H382 F388 W390	D42-T377 PolarHBondContact OD2-OG1 3.01Å; Y374-T377 WeakPolarHBondContact O-CA 3.42Å; Y374-T377 VanDerWaalsContact O-CB 3.28Å; Y374-T377 WeakPolarHBondContact O-CB 3.28Å; Y374-T377 PolarHBondContact O-N 2.99Å; Y374-T377 PolarHBondContact O-OG1 3.39Å; K375-T377 VanDerWaalsContact C-N 3.27Å; K375-T377 PolarHBondContact O-N 2.88Å; T377-R379 PolarHBondContact O-N 2.99Å; T377-R379 VanDerWaalsContact O-N 3.09Å; T377-G381 CarbonylContact O-C 3.58Å; T377-H382 WeakPolarHBondContact CB-ND1 3.34Å; T377-H382 PolarHBondContact O-CD2 3.31Å; T377-H382 PolarHBondContact OG1-CE1 3.29Å; T377-H382 PolarHBondContact OG1-ND1 3.33Å; T377-F388 HydrophobicContact CG2-CD1 4.48Å; T377-F388 HydrophobicContact CG2-CE1 3.8Å; T377-F388 HydrophobicContact CG2-CE2 3.93Å; T377-F388 HydrophobicContact CG2-CZ 3.5Å; T377-F388 VanDerWaalsContact CG2-CZ 3.5Å; T377-W390 HydrophobicContact CG2-CH2 3.83Å; T377-W390 HydrophobicContact CG2-CZ2 3.97Å
378	A	95.3	Very high	97.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.5	-178.8	0	0	0	0	0	114.9	D38 M39	D38-A378 HydrophobicContact CB-CB 4.07Å; M39-A378 HydrophobicContact CB-CB 4.36Å; M39-A378 HydrophobicContact CG-CB 3.6Å
379	R	94.6	Very high	97.3	Very high	27 Å²	27	36.4 Å²	36.4	10%	0.102	20%	0.197	C	C	.	.	S	Bend	trans	-101.6	118.2	178.2	-70.9	177.5	168.4	143.7	9.6	111.9	E30 M39 E376 T377 G381 K385	E30-R379 HydrophobicContact CB-CG 4.49Å; E30-R379 IonicContact OE2-CZ 3.27Å; E30-R379 IonicContact OE2-NE 3.22Å; E30-R379 PolarHBondContact OE2-NE 3.21Å; E30-R379 IonicContact OE2-NH2 2.83Å; M39-R379 HydrophobicContact CE-CG 4.16Å; M39-R379 HydrophobicContact SD-CG 3.84Å; E376-R379 VanDerWaalsContact CD-NH1 3.34Å; E376-R379 IonicContact OE1-CZ 3.5Å; E376-R379 IonicContact OE1-NH1 3.87Å; E376-R379 PolarHBondContact OE1-NH1 2.85Å; E376-R379 IonicContact OE2-NH1 2.72Å; E376-R379 PolarHBondContact OE2-NH1 2.96Å; E376-R379 VanDerWaalsContact OE2-NH1 3.08Å; T377-R379 PolarHBondContact O-N 2.99Å; T377-R379 VanDerWaalsContact O-N 3.09Å; R379-G381 VanDerWaalsContact C-N 3.35Å; R379-G381 PolarHBondContact O-N 3.12Å; R379-K385 VanDerWaalsContact O-CE 3.31Å; R379-K385 WeakPolarHBondContact O-CE 3.09Å; R379-K385 PolarHBondContact O-NZ 3.05Å
380	N	96.5	Very high	97.3	Very high	43 Å²	43	36.4 Å²	36.4	23%	0.23	20%	0.197	C	C	.	.	S	Bend	trans	58.6	40.1	172.9	-45.1	-57.3	0	0	0	114.3	H161	H161-N380 HydrophobicContact CB-CB 4.12Å; H161-N380 PolarHBondContact CD2-O 3.19Å
381	G	97.7	Very high	97.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	19%	0.187	C	C	.	.			trans	86.9	151.8	171.8	0	0	0	0	0	115.4	T377 R379 K385	T377-G381 CarbonylContact O-C 3.58Å; R379-G381 VanDerWaalsContact C-N 3.35Å; R379-G381 PolarHBondContact O-N 3.12Å; G381-K385 WeakPolarHBondContact O-CE 3.47Å; G381-K385 PolarHBondContact O-NZ 3.04Å
382	H	98.8	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-83.4	-20	-179	-72.4	-120.1	0	0	0	112.7	D272 F285 Y299 T377 W390	D272-H382 PolarHBondContact O-N 2.97Å; D272-H382 IonicContact OD1-CD2 2.61Å; D272-H382 PolarHBondContact OD1-CD2 3.26Å; D272-H382 IonicContact OD1-NE2 2.72Å; F285-H382 VanDerWaalsContact CB-CE1 3.46Å; F285-H382 WeakPolarHBondContact CB-CE1 3.44Å; F285-H382 HydrophobicContact CD2-CB 4.26Å; F285-H382 AromaticContact CD2-CD2 3.73Å; F285-H382 AromaticContact CD2-CE1 3.61Å; F285-H382 AromaticContact CD2-CG 3.55Å; F285-H382 AromaticContact CD2-ND1 3.44Å; F285-H382 WeakPolarHBondContact CD2-ND1 3.35Å; F285-H382 AromaticContact CD2-NE2 3.76Å; F285-H382 HydrophobicContact CE2-CB 4.32Å; F285-H382 AromaticContact CG-CE1 3.99Å; F285-H382 AromaticContact CG-ND1 4Å; Y299-H382 HydrophobicContact CE1-CB 4.15Å; Y299-H382 AromaticContact CE1-ND1 3.7Å; Y299-H382 AromaticContact CZ-ND1 3.63Å; Y299-H382 PolarHBondContact OH-CE1 3.18Å; Y299-H382 PolarHBondContact OH-ND1 3.37Å; T377-H382 WeakPolarHBondContact CB-ND1 3.34Å; T377-H382 PolarHBondContact O-CD2 3.31Å; T377-H382 PolarHBondContact OG1-CE1 3.29Å; T377-H382 PolarHBondContact OG1-ND1 3.33Å; H382-W390 PolarHBondContact O-NE1 2.83Å
383	F	98.8	Very high	97.4	Very high	6 Å²	6	35 Å²	35	3%	0.026	19%	0.188	C	C	.	.	S	Bend	trans	-114.7	158.8	-173.1	-51.7	-43.7	0	0	0	112.5	M153 T273 Y274 F285 Y299 R302 W390 E391	M153-F383 HydrophobicContact CE-CB 3.86Å; M153-F383 HydrophobicContact SD-CB 3.7Å; T273-F383 HydrophobicContact CG2-CE2 3.78Å; Y274-F383 AromaticContact CD1-CD2 3.99Å; Y274-F383 HydrophobicContact CD1-CD2 3.99Å; Y274-F383 AromaticContact CE1-CD2 3.31Å; Y274-F383 HydrophobicContact CE1-CD2 3.31Å; Y274-F383 AromaticContact CE1-CE2 3.73Å; Y274-F383 HydrophobicContact CE1-CE2 3.73Å; Y274-F383 HydrophobicContact CE1-CG 4.14Å; Y274-F383 HydrophobicContact CE2-CD2 4.37Å; Y274-F383 AromaticContact CE2-CE2 3.99Å; Y274-F383 HydrophobicContact CE2-CE2 3.99Å; Y274-F383 AromaticContact CZ-CD2 3.52Å; Y274-F383 AromaticContact CZ-CE2 3.38Å; Y274-F383 WeakPolarHBondContact OH-CE2 3.45Å; F285-F383 HydrophobicContact CE2-CZ 4.35Å; F285-F383 HydrophobicContact CZ-CZ 4.31Å; Y299-F383 AromaticContact CD1-CE1 3.68Å; Y299-F383 HydrophobicContact CD1-CE1 3.68Å; Y299-F383 HydrophobicContact CD1-CZ 4.21Å; Y299-F383 HydrophobicContact CE1-CE1 4.1Å; R302-F383 HydrophobicContact CB-CD1 4.01Å; R302-F383 HydrophobicContact CB-CE1 3.81Å; R302-F383 HydrophobicContact CB-CZ 4.2Å; R302-F383 HydrophobicContact CG-CB 4.47Å; R302-F383 HydrophobicContact CG-CD1 3.61Å; R302-F383 HydrophobicContact CG-CE1 3.96Å; R302-F383 HydrophobicContact CG-CG 4.02Å; F383-W390 AromaticContact CD1-CD1 3.84Å; F383-W390 AromaticContact CD1-NE1 3.65Å; F383-E391 VanDerWaalsContact CA-OE1 3.3Å; F383-E391 WeakPolarHBondContact CA-OE1 3.39Å; F383-E391 WeakPolarHBondContact CB-OE1 2.99Å
384	G	97.9	Very high	97.3	Very high	13 Å²	13	35.6 Å²	35.6	13%	0.134	19%	0.188	C	C	.	.	S	Bend	trans	82.6	10.3	-179.9	0	0	0	0	0	115.6	E151 E391	E151-G384 WeakPolarHBondContact CG-O 3.36Å; G384-E391 PolarHBondContact N-OE1 3.26Å; G384-E391 PolarHBondContact N-OE2 3.49Å
385	K	97	Very high	97.1	Very high	47 Å²	47	40.7 Å²	40.7	20%	0.204	21%	0.21	C	C	.	.			trans	-110.3	113.8	177.6	-60.7	-179.4	-164.7	147.2	0	111.5	E376 R379 G381 I387 F388 E391	E376-K385 PolarHBondContact O-NZ 2.79Å; R379-K385 VanDerWaalsContact O-CE 3.31Å; R379-K385 WeakPolarHBondContact O-CE 3.09Å; R379-K385 PolarHBondContact O-NZ 3.05Å; G381-K385 WeakPolarHBondContact O-CE 3.47Å; G381-K385 PolarHBondContact O-NZ 3.04Å; K385-I387 HydrophobicContact CB-CG1 4.25Å; K385-I387 PolarHBondContact O-N 3.07Å; K385-F388 HydrophobicContact CB-CD2 3.88Å; K385-F388 HydrophobicContact CB-CE2 3.97Å; K385-F388 HydrophobicContact CD-CD2 4.43Å; K385-F388 HydrophobicContact CD-CE2 3.69Å; K385-F388 HydrophobicContact CD-CZ 4.31Å; K385-F388 HydrophobicContact CG-CE2 4.38Å; K385-F388 PolarHBondContact O-N 2.55Å; K385-F388 VanDerWaalsContact O-N 3.15Å; K385-E391 VanDerWaalsContact O-CB 3.31Å; K385-E391 WeakPolarHBondContact O-CB 3.43Å; K385-E391 VanDerWaalsContact O-CG 3.28Å; K385-E391 WeakPolarHBondContact O-CG 3.25Å
386	S	96.1	Very high	97.1	Very high	98 Å²	98	39.2 Å²	39.2	69%	0.685	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.6	-174.1	56.3	0	0	0	0	115.9	F388	S386-F388 VanDerWaalsContact C-N 3.26Å; S386-F388 PolarHBondContact O-N 2.93Å
387	I	96.1	Very high	97.2	Very high	117 Å²	117	40.6 Å²	40.6	60%	0.6	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.1	177.4	61.5	171.8	0	0	0	113	K385	K385-I387 HydrophobicContact CB-CG1 4.25Å; K385-I387 PolarHBondContact O-N 3.07Å
388	F	98.3	Very high	97	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.039	22%	0.217	C	C	.	.	S	Bend	trans	-88.9	146.4	-174.6	-60.5	-45.6	0	0	0	113.2	E376 T377 K385 S386 W390 E391	E376-F388 HydrophobicContact CB-CZ 4.29Å; T377-F388 HydrophobicContact CG2-CD1 4.48Å; T377-F388 HydrophobicContact CG2-CE1 3.8Å; T377-F388 HydrophobicContact CG2-CE2 3.93Å; T377-F388 HydrophobicContact CG2-CZ 3.5Å; T377-F388 VanDerWaalsContact CG2-CZ 3.5Å; K385-F388 HydrophobicContact CB-CD2 3.88Å; K385-F388 HydrophobicContact CB-CE2 3.97Å; K385-F388 HydrophobicContact CD-CD2 4.43Å; K385-F388 HydrophobicContact CD-CE2 3.69Å; K385-F388 HydrophobicContact CD-CZ 4.31Å; K385-F388 HydrophobicContact CG-CE2 4.38Å; K385-F388 PolarHBondContact O-N 2.55Å; K385-F388 VanDerWaalsContact O-N 3.15Å; S386-F388 VanDerWaalsContact C-N 3.26Å; S386-F388 PolarHBondContact O-N 2.93Å; F388-W390 HydrophobicContact CB-CD2 3.83Å; F388-W390 VanDerWaalsContact CB-CE2 3.49Å; F388-W390 HydrophobicContact CB-CE3 4.11Å; F388-W390 HydrophobicContact CB-CG 4.49Å; F388-W390 HydrophobicContact CB-CH2 3.8Å; F388-W390 HydrophobicContact CB-CZ2 3.5Å; F388-W390 VanDerWaalsContact CB-CZ2 3.5Å; F388-W390 HydrophobicContact CB-CZ3 4.09Å; F388-W390 AromaticContact CD1-CH2 3.79Å; F388-W390 HydrophobicContact CD1-CH2 3.79Å; F388-W390 AromaticContact CD1-CZ2 3.94Å; F388-W390 HydrophobicContact CD1-CZ2 3.94Å; F388-W390 AromaticContact CD2-CE2 3.91Å; F388-W390 HydrophobicContact CD2-CH2 4.13Å; F388-W390 AromaticContact CD2-CZ2 3.41Å; F388-W390 HydrophobicContact CD2-CZ2 3.41Å; F388-W390 VanDerWaalsContact CD2-CZ2 3.41Å; F388-W390 HydrophobicContact CE1-CH2 4.4Å; F388-W390 HydrophobicContact CE2-CZ2 4.03Å; F388-W390 AromaticContact CG-CE2 3.86Å; F388-W390 AromaticContact CG-CH2 3.67Å; F388-W390 HydrophobicContact CG-CH2 3.67Å; F388-W390 AromaticContact CG-CZ2 3.36Å; F388-W390 HydrophobicContact CG-CZ2 3.36Å; F388-W390 HydrophobicContact CG-CZ3 4.41Å; F388-W390 PolarHBondContact O-N 2.79Å; F388-E391 HydrophobicContact CB-CG 4.36Å; F388-E391 WeakPolarHBondContact O-CB 3.39Å; F388-E391 PolarHBondContact O-N 2.86Å; F388-E391 VanDerWaalsContact O-N 3.11Å
389	A	98.2	Very high	97.1	Very high	27 Å²	27	46 Å²	46	22%	0.223	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.1	-41.8	-176.1	0	0	0	0	0	112.8	L367 E391 K392	L367-A389 HydrophobicContact CB-CB 4.24Å; L367-A389 HydrophobicContact CD2-CB 4.29Å; L367-A389 VanDerWaalsContact O-CB 3.24Å; L367-A389 WeakPolarHBondContact O-CB 3.45Å; A389-E391 PolarHBondContact O-N 2.82Å; A389-K392 WeakPolarHBondContact O-CB 3.27Å; A389-K392 PolarHBondContact O-N 3.24Å
390	W	98.7	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-67.6	-14.1	177.6	55.7	89.7	0	0	0	113.8	Y299 W303 L367 L369 I373 T377 H382 F383 F388 K392	Y299-W390 HydrophobicContact CD1-CD2 4.47Å; Y299-W390 AromaticContact CD2-CD2 3.69Å; Y299-W390 HydrophobicContact CD2-CD2 3.69Å; Y299-W390 AromaticContact CD2-CE3 3.36Å; Y299-W390 HydrophobicContact CD2-CE3 3.36Å; Y299-W390 HydrophobicContact CD2-CG 4.5Å; Y299-W390 AromaticContact CD2-CH2 3.79Å; Y299-W390 HydrophobicContact CD2-CH2 3.79Å; Y299-W390 HydrophobicContact CD2-CZ2 4.06Å; Y299-W390 AromaticContact CD2-CZ3 3.43Å; Y299-W390 HydrophobicContact CD2-CZ3 3.43Å; Y299-W390 VanDerWaalsContact CD2-CZ3 3.43Å; Y299-W390 HydrophobicContact CE1-CZ2 4.32Å; Y299-W390 HydrophobicContact CE2-CD2 4.2Å; Y299-W390 AromaticContact CE2-CE3 3.85Å; Y299-W390 HydrophobicContact CE2-CE3 3.85Å; Y299-W390 AromaticContact CE2-CH2 3.33Å; Y299-W390 HydrophobicContact CE2-CH2 3.33Å; Y299-W390 AromaticContact CE2-CZ2 3.69Å; Y299-W390 HydrophobicContact CE2-CZ2 3.69Å; Y299-W390 AromaticContact CE2-CZ3 3.41Å; Y299-W390 HydrophobicContact CE2-CZ3 3.41Å; Y299-W390 VanDerWaalsContact CE2-CZ3 3.41Å; Y299-W390 AromaticContact CG-CD2 3.83Å; Y299-W390 HydrophobicContact CG-CD2 3.83Å; Y299-W390 AromaticContact CG-CE3 3.96Å; Y299-W390 HydrophobicContact CG-CE3 3.96Å; Y299-W390 HydrophobicContact CG-CG 4.21Å; Y299-W390 HydrophobicContact CG-CZ3 4.38Å; Y299-W390 AromaticContact CZ-CH2 3.88Å; Y299-W390 AromaticContact CZ-CZ2 3.84Å; Y299-W390 WeakPolarHBondContact O-CB 3.38Å; W303-W390 WeakPolarHBondContact CA-O 3.49Å; W303-W390 HydrophobicContact CB-CB 4.14Å; L367-W390 HydrophobicContact CD1-CB 4.08Å; L367-W390 HydrophobicContact CD2-CB 4.4Å; L369-W390 HydrophobicContact CD2-CE3 4.16Å; L369-W390 HydrophobicContact CD2-CZ3 3.98Å; I373-W390 HydrophobicContact CD1-CZ3 4.24Å; T377-W390 HydrophobicContact CG2-CH2 3.83Å; T377-W390 HydrophobicContact CG2-CZ2 3.97Å; H382-W390 PolarHBondContact O-NE1 2.83Å; F383-W390 AromaticContact CD1-CD1 3.84Å; F383-W390 AromaticContact CD1-NE1 3.65Å; F388-W390 HydrophobicContact CB-CD2 3.83Å; F388-W390 VanDerWaalsContact CB-CE2 3.49Å; F388-W390 HydrophobicContact CB-CE3 4.11Å; F388-W390 HydrophobicContact CB-CG 4.49Å; F388-W390 HydrophobicContact CB-CH2 3.8Å; F388-W390 HydrophobicContact CB-CZ2 3.5Å; F388-W390 VanDerWaalsContact CB-CZ2 3.5Å; F388-W390 HydrophobicContact CB-CZ3 4.09Å; F388-W390 AromaticContact CD1-CH2 3.79Å; F388-W390 HydrophobicContact CD1-CH2 3.79Å; F388-W390 AromaticContact CD1-CZ2 3.94Å; F388-W390 HydrophobicContact CD1-CZ2 3.94Å; F388-W390 AromaticContact CD2-CE2 3.91Å; F388-W390 HydrophobicContact CD2-CH2 4.13Å; F388-W390 AromaticContact CD2-CZ2 3.41Å; F388-W390 HydrophobicContact CD2-CZ2 3.41Å; F388-W390 VanDerWaalsContact CD2-CZ2 3.41Å; F388-W390 HydrophobicContact CE1-CH2 4.4Å; F388-W390 HydrophobicContact CE2-CZ2 4.03Å; F388-W390 AromaticContact CG-CE2 3.86Å; F388-W390 AromaticContact CG-CH2 3.67Å; F388-W390 HydrophobicContact CG-CH2 3.67Å; F388-W390 AromaticContact CG-CZ2 3.36Å; F388-W390 HydrophobicContact CG-CZ2 3.36Å; F388-W390 HydrophobicContact CG-CZ3 4.41Å; F388-W390 PolarHBondContact O-N 2.79Å; W390-K392 VanDerWaalsContact C-N 3.33Å
391	E	98.6	Very high	97	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.028	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-88.9	-0.5	173.1	-68.4	-65.5	151.1	0	0	112.4	R302 K306 F383 G384 K385 F388 A389	R302-E391 IonicContact CZ-OE1 3.38Å; R302-E391 IonicContact CZ-OE2 2.91Å; R302-E391 IonicContact NE-OE1 3.98Å; R302-E391 PolarHBondContact NE-OE1 2.98Å; R302-E391 IonicContact NE-OE2 2.67Å; R302-E391 IonicContact NH2-OE1 2.94Å; R302-E391 PolarHBondContact NH2-OE1 3.21Å; R302-E391 IonicContact NH2-OE2 2.73Å; R302-E391 PolarHBondContact NH2-OE2 3.12Å; K306-E391 WeakPolarHBondContact CD-OE2 3.44Å; K306-E391 WeakPolarHBondContact CE-O 3.16Å; K306-E391 PolarHBondContact NZ-O 3.25Å; K306-E391 IonicContact NZ-OE2 3.37Å; K306-E391 PolarHBondContact NZ-OE2 3.13Å; F383-E391 VanDerWaalsContact CA-OE1 3.3Å; F383-E391 WeakPolarHBondContact CA-OE1 3.39Å; F383-E391 WeakPolarHBondContact CB-OE1 2.99Å; G384-E391 PolarHBondContact N-OE1 3.26Å; G384-E391 PolarHBondContact N-OE2 3.49Å; K385-E391 VanDerWaalsContact O-CB 3.31Å; K385-E391 WeakPolarHBondContact O-CB 3.43Å; K385-E391 VanDerWaalsContact O-CG 3.28Å; K385-E391 WeakPolarHBondContact O-CG 3.25Å; F388-E391 HydrophobicContact CB-CG 4.36Å; F388-E391 WeakPolarHBondContact O-CB 3.39Å; F388-E391 PolarHBondContact O-N 2.86Å; F388-E391 VanDerWaalsContact O-N 3.11Å; A389-E391 PolarHBondContact O-N 2.82Å
392	K	98.1	Very high	96.9	Very high	130 Å²	130	53.1 Å²	53.1	57%	0.565	27%	0.274	S	S	*	.	S	Bend	trans	-97.9	100.4	174.9	-61	175.7	-173.7	172.5	0	109.4	W303 A389 W390 K394	W303-K392 VanDerWaalsContact CD1-O 3.3Å; W303-K392 PolarHBondContact NE1-O 3.46Å; A389-K392 WeakPolarHBondContact O-CB 3.27Å; A389-K392 PolarHBondContact O-N 3.24Å; W390-K392 VanDerWaalsContact C-N 3.33Å; K392-K394 PolarHBondContact O-N 2.92Å
393	S	97.2	Very high	96.6	Very high	41 Å²	41	54.4 Å²	54.4	29%	0.287	28%	0.28	S	S	.	.			trans	-56.8	134.8	-178	-61.8	0	0	0	0	112.1	K306 S307 D310	K306-S393 WeakPolarHBondContact CG-OG 3.49Å; S307-S393 WeakPolarHBondContact OG-CA 3.46Å; D310-S393 WeakPolarHBondContact OD2-CB 3.33Å; D310-S393 PolarHBondContact OD2-OG 2.72Å
394	K	95.9	Very high	96.1	Very high	65 Å²	65	59.5 Å²	59.5	28%	0.283	31%	0.307	S	S	.	.			trans	-75	136.6	176.3	-167	171.4	-172.5	161.3	0	109.3	W303 S307 N355 F356 E366 K392 L396	W303-K394 HydrophobicContact CH2-CD 3.81Å; W303-K394 HydrophobicContact CZ2-CB 3.78Å; W303-K394 HydrophobicContact CZ2-CD 3.71Å; W303-K394 HydrophobicContact CZ2-CG 4.07Å; S307-K394 PolarHBondContact OG-N 3.01Å; N355-K394 WeakPolarHBondContact O-CD 3.35Å; N355-K394 VanDerWaalsContact O-CE 3.29Å; N355-K394 WeakPolarHBondContact O-CE 3.34Å; N355-K394 PolarHBondContact O-NZ 3.05Å; F356-K394 HydrophobicContact CD1-CD 4.22Å; F356-K394 HydrophobicContact CE1-CB 3.89Å; F356-K394 HydrophobicContact CE1-CD 3.82Å; F356-K394 HydrophobicContact CE1-CG 4.48Å; F356-K394 HydrophobicContact CZ-CB 3.94Å; F356-K394 HydrophobicContact CZ-CD 4.25Å; E366-K394 IonicContact OE2-NZ 3.29Å; E366-K394 PolarHBondContact OE2-NZ 2.94Å; K392-K394 PolarHBondContact O-N 2.92Å; K394-L396 HydrophobicContact CB-CD2 4.28Å; K394-L396 PolarHBondContact O-N 2.85Å
395	K	95.4	Very high	95.8	Very high	107 Å²	107	62 Å²	62	47%	0.465	32%	0.315	S	S	.	.			trans	-66.8	116	165.8	177.2	178.1	170.9	170.9	0	107.8	G420 D422	K395-G420 WeakPolarHBondContact CD-O 3.34Å; K395-G420 WeakPolarHBondContact CE-O 3.46Å; K395-G420 PolarHBondContact NZ-O 2.86Å; K395-D422 VanDerWaalsContact NZ-CG 3.31Å; K395-D422 VanDerWaalsContact NZ-N 3.14Å; K395-D422 IonicContact NZ-OD2 3.64Å; K395-D422 PolarHBondContact NZ-OD2 2.82Å
396	L	97.2	Very high	95.4	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	31%	0.309	C	S	.	.			trans	-85.9	132.4	-174.5	-55.1	-178.4	0	0	0	111.2	L308 A311 I313 I351 N355 F356 K394 I398 F421	L308-L396 HydrophobicContact CD2-CD1 3.93Å; A311-L396 HydrophobicContact CB-CD1 3.72Å; A311-L396 HydrophobicContact CB-CG 4.33Å; I313-L396 HydrophobicContact CD1-CD1 3.49Å; I313-L396 VanDerWaalsContact CD1-CD1 3.49Å; I351-L396 HydrophobicContact CG2-CD1 4.34Å; N355-L396 HydrophobicContact CB-CD2 3.95Å; N355-L396 WeakPolarHBondContact OD1-CA 3.39Å; F356-L396 HydrophobicContact CE2-CD2 3.48Å; F356-L396 VanDerWaalsContact CE2-CD2 3.48Å; F356-L396 HydrophobicContact CZ-CD2 3.55Å; K394-L396 HydrophobicContact CB-CD2 4.28Å; K394-L396 PolarHBondContact O-N 2.85Å; L396-I398 HydrophobicContact CB-CD1 3.99Å; L396-F421 WeakPolarHBondContact O-CD1 3.45Å
397	M	96	Very high	94.9	Very high	112 Å²	112	63.8 Å²	63.8	55%	0.552	31%	0.306	S	S	*	.			trans	-73	123.4	160.6	-177.1	-165.2	-61.4	0	0	108.1	N355	N355-M397 PolarHBondContact ND2-O 3.36Å; N355-M397 PolarHBondContact OD1-N 3.22Å
398	I	95.4	Very high	94	Very high	19 Å²	19	61.5 Å²	61.5	10%	0.097	30%	0.3	C	S	.	.			trans	-113.6	125.9	176.7	-54.8	-61.1	0	0	0	107.3	I313 I351 L396 F402 M403 L406	I313-I398 HydrophobicContact CD1-CD1 3.93Å; I351-I398 HydrophobicContact CD1-CD1 4.33Å; I351-I398 HydrophobicContact CG1-CD1 4.34Å; I351-I398 HydrophobicContact CG2-CD1 3.92Å; L396-I398 HydrophobicContact CB-CD1 3.99Å; I398-F402 HydrophobicContact CG2-CB 3.66Å; I398-M403 HydrophobicContact CB-SD 3.84Å; I398-M403 HydrophobicContact CG2-CG 4.48Å; I398-M403 HydrophobicContact CG2-SD 3.71Å; I398-L406 HydrophobicContact CG1-CD2 4.18Å
399	R	96.3	Very high	92.4	Very high	94 Å²	94	61.2 Å²	61.2	36%	0.355	30%	0.3	S	S	.	.			trans	-59.5	144.3	177.7	-59	-170.6	179.8	-175.8	1.2	110.6	D354 E401 F402	D354-R399 IonicContact OD1-CZ 3.54Å; D354-R399 IonicContact OD1-NE 2.67Å; D354-R399 IonicContact OD1-NH2 3.66Å; D354-R399 PolarHBondContact OD1-NH2 2.98Å; D354-R399 IonicContact OD2-CZ 3.67Å; D354-R399 IonicContact OD2-NE 2.8Å; D354-R399 PolarHBondContact OD2-NE 3.08Å; D354-R399 IonicContact OD2-NH2 3.73Å; D354-R399 PolarHBondContact OD2-NH2 3.29Å; R399-E401 VanDerWaalsContact C-N 3.25Å; R399-E401 VanDerWaalsContact CB-CD 3.48Å; R399-E401 HydrophobicContact CB-CG 4.32Å; R399-E401 WeakPolarHBondContact CB-OE1 3.39Å; R399-E401 WeakPolarHBondContact CB-OE2 3.46Å; R399-E401 WeakPolarHBondContact CD-OE1 3.41Å; R399-E401 PolarHBondContact O-N 3.33Å; R399-E401 VanDerWaalsContact O-N 3.16Å; R399-F402 HydrophobicContact CB-CD2 4.04Å; R399-F402 HydrophobicContact CB-CE2 4.37Å; R399-F402 HydrophobicContact CB-CG 4.43Å; R399-F402 HydrophobicContact CG-CD2 4.38Å; R399-F402 HydrophobicContact CG-CE2 4.36Å; R399-F402 WeakPolarHBondContact O-CB 3.25Å; R399-F402 PolarHBondContact O-N 2.93Å
400	P	94.8	Very high	90.3	Very high	86 Å²	86	68.6 Å²	68.6	56%	0.558	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-52.5	-39.2	-177.1	-29.7	36.6	0	0	0	114.4	F402 M403	P400-F402 PolarHBondContact O-N 3.1Å; P400-M403 WeakPolarHBondContact O-CB 3.42Å; P400-M403 PolarHBondContact O-N 3.49Å
401	E	94.8	Very high	88	Confident	118 Å²	118	71 Å²	71	55%	0.551	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-65.1	-17.1	178.6	63.6	-89.7	-154.3	0	0	114.4	R399	R399-E401 VanDerWaalsContact C-N 3.25Å; R399-E401 VanDerWaalsContact CB-CD 3.48Å; R399-E401 HydrophobicContact CB-CG 4.32Å; R399-E401 WeakPolarHBondContact CB-OE1 3.39Å; R399-E401 WeakPolarHBondContact CB-OE2 3.46Å; R399-E401 WeakPolarHBondContact CD-OE1 3.41Å; R399-E401 PolarHBondContact O-N 3.33Å; R399-E401 VanDerWaalsContact O-N 3.16Å
402	F	95.1	Very high	85.1	Confident	16 Å²	16	73.9 Å²	73.9	7%	0.07	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-94.3	-12	179.3	-68.8	-10.5	0	0	0	113	F343 E347 T350 I351 I398 R399 P400 D404 K405 L406	F343-F402 HydrophobicContact CD1-CG 4.49Å; F343-F402 HydrophobicContact CE1-CB 3.63Å; F343-F402 HydrophobicContact CE1-CD1 4.44Å; F343-F402 AromaticContact CE1-CG 3.98Å; F343-F402 HydrophobicContact CE1-CG 3.98Å; F343-F402 HydrophobicContact CZ-CB 4.31Å; F343-F402 WeakPolarHBondContact CZ-O 3.17Å; E347-F402 HydrophobicContact CB-CE1 4.17Å; E347-F402 HydrophobicContact CB-CE2 4.39Å; E347-F402 HydrophobicContact CB-CZ 3.99Å; E347-F402 HydrophobicContact CG-CD1 4.38Å; E347-F402 HydrophobicContact CG-CE1 3.63Å; E347-F402 HydrophobicContact CG-CZ 3.79Å; T350-F402 HydrophobicContact CG2-CE2 3.87Å; T350-F402 HydrophobicContact CG2-CZ 4.19Å; I351-F402 HydrophobicContact CD1-CD2 4.08Å; I351-F402 HydrophobicContact CG1-CD2 3.81Å; I351-F402 HydrophobicContact CG1-CE2 4.08Å; I398-F402 HydrophobicContact CG2-CB 3.66Å; R399-F402 HydrophobicContact CB-CD2 4.04Å; R399-F402 HydrophobicContact CB-CE2 4.37Å; R399-F402 HydrophobicContact CB-CG 4.43Å; R399-F402 HydrophobicContact CG-CD2 4.38Å; R399-F402 HydrophobicContact CG-CE2 4.36Å; R399-F402 WeakPolarHBondContact O-CB 3.25Å; R399-F402 PolarHBondContact O-N 2.93Å; P400-F402 PolarHBondContact O-N 3.1Å; F402-D404 VanDerWaalsContact C-N 3.34Å; F402-D404 PolarHBondContact O-N 3.2Å; F402-K405 PolarHBondContact O-N 3.41Å; F402-L406 PolarHBondContact O-N 3.34Å; F402-L406 VanDerWaalsContact O-N 3.14Å
403	M	91.9	Very high	82	Confident	27 Å²	27	74.8 Å²	74.8	13%	0.133	37%	0.374	C	S	.	.	H	α-helix	trans	-64.6	-34.6	-173.3	-69.6	-61.4	-66.8	0	0	113.4	I398 P400 L406 R407	I398-M403 HydrophobicContact CB-SD 3.84Å; I398-M403 HydrophobicContact CG2-CG 4.48Å; I398-M403 HydrophobicContact CG2-SD 3.71Å; P400-M403 WeakPolarHBondContact O-CB 3.42Å; P400-M403 PolarHBondContact O-N 3.49Å; M403-L406 PolarHBondContact O-N 3.11Å; M403-R407 VanDerWaalsContact O-CG 3.3Å; M403-R407 WeakPolarHBondContact O-CG 3.35Å; M403-R407 PolarHBondContact O-N 3.39Å
404	D	89.6	Confident	79	Confident	113 Å²	113	76 Å²	76	60%	0.604	39%	0.393	S	S	*	.	H	α-helix	trans	-70	-36.2	179.1	-71.1	-19.3	0	0	0	112.1	F402 R407 S408	F402-D404 VanDerWaalsContact C-N 3.34Å; F402-D404 PolarHBondContact O-N 3.2Å; D404-R407 PolarHBondContact O-N 2.87Å; D404-R407 IonicContact OD1-NH1 3.76Å; D404-S408 WeakPolarHBondContact O-CB 3.47Å; D404-S408 PolarHBondContact O-N 2.74Å; D404-S408 PolarHBondContact O-OG 2.95Å
405	K	90.7	Very high	76.1	Confident	66 Å²	66	80.7 Å²	80.7	29%	0.287	42%	0.421	S	S	.	.	H	α-helix	trans	-66.3	-37.9	173.1	-73.1	-174.5	173.6	-178.3	0	112.1	N342 F343 E347 F402 S408 S409	N342-K405 PolarHBondContact ND2-O 3.04Å; F343-K405 HydrophobicContact CD1-CB 4.16Å; F343-K405 HydrophobicContact CD1-CD 4Å; F343-K405 HydrophobicContact CE1-CB 3.58Å; F343-K405 HydrophobicContact CE1-CD 4.12Å; F343-K405 HydrophobicContact CE1-CG 4.47Å; F343-K405 HydrophobicContact CE2-CB 4.34Å; F343-K405 HydrophobicContact CZ-CB 3.72Å; E347-K405 IonicContact OE1-NZ 2.65Å; E347-K405 PolarHBondContact OE1-NZ 3.35Å; E347-K405 IonicContact OE2-NZ 2.67Å; E347-K405 PolarHBondContact OE2-NZ 3.24Å; F402-K405 PolarHBondContact O-N 3.41Å; K405-S408 WeakPolarHBondContact CA-OG 3.32Å; K405-S408 PolarHBondContact O-OG 3.29Å; K405-S408 VanDerWaalsContact O-OG 3.12Å; K405-S409 PolarHBondContact O-N 2.82Å
406	L	88.9	Confident	73.3	Confident	17 Å²	17	80.4 Å²	80.4	9%	0.089	43%	0.428	C	S	.	.	H	α-helix	trans	-66.7	-43.7	175.7	-170.9	61.9	0	0	0	111.7	I313 F343 I398 F402 M403 S409	I313-L406 HydrophobicContact CG1-CD1 3.89Å; F343-L406 HydrophobicContact CE2-CB 4.42Å; F343-L406 HydrophobicContact CE2-CD1 4.29Å; F343-L406 HydrophobicContact CZ-CB 4.02Å; I398-L406 HydrophobicContact CG1-CD2 4.18Å; F402-L406 PolarHBondContact O-N 3.34Å; F402-L406 VanDerWaalsContact O-N 3.14Å; M403-L406 PolarHBondContact O-N 3.11Å; L406-S409 WeakPolarHBondContact O-CB 3.29Å; L406-S409 PolarHBondContact O-N 2.83Å; L406-S409 PolarHBondContact O-OG 2.96Å
407	R	85.3	Confident	70	Confident	166 Å²	166	89.5 Å²	89.5	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-69	-35.3	178.7	-71.5	170.2	-178.2	165.9	-0.1	113.2	M403 D404 S409	M403-R407 VanDerWaalsContact O-CG 3.3Å; M403-R407 WeakPolarHBondContact O-CG 3.35Å; M403-R407 PolarHBondContact O-N 3.39Å; D404-R407 PolarHBondContact O-N 2.87Å; D404-R407 IonicContact OD1-NH1 3.76Å; R407-S409 PolarHBondContact O-N 3.16Å
408	S	76.8	Confident	66.8	Low	68 Å²	68	95 Å²	95	48%	0.476	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.9	176	57.8	0	0	0	0	113.3	N342 D404 K405 E410	N342-S408 PolarHBondContact ND2-O 3.02Å; D404-S408 WeakPolarHBondContact O-CB 3.47Å; D404-S408 PolarHBondContact O-N 2.74Å; D404-S408 PolarHBondContact O-OG 2.95Å; K405-S408 WeakPolarHBondContact CA-OG 3.32Å; K405-S408 PolarHBondContact O-OG 3.29Å; K405-S408 VanDerWaalsContact O-OG 3.12Å; S408-E410 VanDerWaalsContact C-N 3.3Å; S408-E410 PolarHBondContact O-N 2.8Å
409	S	64.3	Low	64	Low	4 Å²	4	101.4 Å²	101.4	3%	0.028	52%	0.517	C	S	.	.			trans	-65.3	99.8	164.7	88.4	0	0	0	0	106.8	G312 N342 K405 L406 R407 L411 S412	G312-S409 PolarHBondContact O-OG 2.8Å; N342-S409 WeakPolarHBondContact ND2-CA 3.39Å; N342-S409 PolarHBondContact ND2-N 3.04Å; K405-S409 PolarHBondContact O-N 2.82Å; L406-S409 WeakPolarHBondContact O-CB 3.29Å; L406-S409 PolarHBondContact O-N 2.83Å; L406-S409 PolarHBondContact O-OG 2.96Å; R407-S409 PolarHBondContact O-N 3.16Å; S409-L411 PolarHBondContact O-N 3.5Å; S409-S412 PolarHBondContact O-N 3.12Å; S409-S412 PolarHBondContact O-OG 3.22Å
410	E	54.1	Low	60.8	Low	181 Å²	181	99.6 Å²	99.6	85%	0.846	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-57.5	-1.1	171.6	-69.4	-173.8	151.2	0	0	112.3	S408 S412	S408-E410 VanDerWaalsContact C-N 3.3Å; S408-E410 PolarHBondContact O-N 2.8Å; E410-S412 VanDerWaalsContact C-N 3.32Å
411	L	50.4	Low	58	Low	52 Å²	52	99.5 Å²	99.5	27%	0.272	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-75.9	-7.6	170.5	-63.6	176.4	0	0	0	114.4	K315 T340 S409	K315-L411 HydrophobicContact CD-CB 4.07Å; K315-L411 HydrophobicContact CD-CD1 3.85Å; K315-L411 HydrophobicContact CD-CD2 3.96Å; K315-L411 HydrophobicContact CD-CG 4.12Å; K315-L411 HydrophobicContact CG-CD1 3.59Å; K315-L411 HydrophobicContact CG-CD2 3.61Å; K315-L411 HydrophobicContact CG-CG 4.06Å; K315-L411 PolarHBondContact NZ-O 3.08Å; T340-L411 VanDerWaalsContact O-CD1 3.31Å; T340-L411 WeakPolarHBondContact O-CD1 3.47Å; S409-L411 PolarHBondContact O-N 3.5Å
412	S	39.5	Very low	54.9	Low	66 Å²	66	100.2 Å²	100.2	46%	0.462	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-95.9	-5.5	-178.9	61.5	0	0	0	0	115.2	S409 E410	S409-S412 PolarHBondContact O-N 3.12Å; S409-S412 PolarHBondContact O-OG 3.22Å; E410-S412 VanDerWaalsContact C-N 3.32Å
413	N	32.5	Very low	51.8	Low	148 Å²	148	104.7 Å²	104.7	79%	0.791	55%	0.554	S	S	*	*	S	Bend	trans	-107.5	93	-177.8	-76.1	-28.3	0	0	0	112
414	G	34	Very low	48.9	Very low	66 Å²	66	109.9 Å²	109.9	68%	0.68	60%	0.601	S	S	*	*	S	Bend	trans	172.8	-64.3	168.7	0	0	0	0	0	115.2
415	D	35.1	Very low	46.9	Very low	164 Å²	164	109.8 Å²	109.8	88%	0.877	60%	0.601	S	S	*	*	S	Bend	trans	-133.4	0.5	-159.4	-70.5	-49.5	0	0	0	116.6	K417	D415-K417 PolarHBondContact O-N 3.5Å
416	V	35.9	Very low	44.6	Very low	101 Å²	101	112.1 Å²	112.1	61%	0.612	62%	0.618	S	S	*	*			trans	-98.3	86.5	179.3	-170.4	0	0	0	0	110.6	R418	V416-R418 PolarHBondContact O-N 2.82Å; V416-R418 VanDerWaalsContact O-N 3.16Å
417	K	29.1	Very low	42.2	Very low	196 Å²	196	117.3 Å²	117.3	85%	0.852	65%	0.647	S	S	*	*			trans	-60.4	115.2	162.1	-84.3	-179.1	178.7	172.4	0	109.3	D415	D415-K417 PolarHBondContact O-N 3.5Å
418	R	28.8	Very low	39.6	Very low	228 Å²	228	114.5 Å²	114.5	86%	0.86	65%	0.648	S	S	*	*			trans	51.6	105.3	150.9	-64.9	177.8	177.1	171.9	-1.9	116.3	V416	V416-R418 PolarHBondContact O-N 2.82Å; V416-R418 VanDerWaalsContact O-N 3.16Å
419	N	36	Very low	37.3	Very low	153 Å²	153	117.4 Å²	117.4	82%	0.818	66%	0.659	S	S	*	*			trans	-151.4	121.9	139	-87.1	-32.4	0	0	0	109.1
420	G	29.4	Very low	35.5	Very low	55 Å²	55	124.9 Å²	124.9	57%	0.567	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71.5	143.8	-162.1	0	0	0	0	0	115.1	K395	K395-G420 WeakPolarHBondContact CD-O 3.34Å; K395-G420 WeakPolarHBondContact CE-O 3.46Å; K395-G420 PolarHBondContact NZ-O 2.86Å
421	F	35.9	Very low	34.2	Very low	84 Å²	84	120.9 Å²	120.9	37%	0.368	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-99.6	135.9	160.9	-63.7	-82.1	0	0	0	108.4	A311 L396	A311-F421 HydrophobicContact CB-CE1 4.27Å; A311-F421 HydrophobicContact CB-CZ 3.93Å; L396-F421 WeakPolarHBondContact O-CD1 3.45Å
422	D	29	Very low	32.9	Very low	134 Å²	134	126.2 Å²	126.2	72%	0.717	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-93.4	130.2	162.2	-82.6	-50.6	0	0	0	106.3	K395	K395-D422 VanDerWaalsContact NZ-CG 3.31Å; K395-D422 VanDerWaalsContact NZ-N 3.14Å; K395-D422 IonicContact NZ-OD2 3.64Å; K395-D422 PolarHBondContact NZ-OD2 2.82Å
423	V	30.2	Very low	32.4	Very low	109 Å²	109	131.3 Å²	131.3	66%	0.661	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-85.9	119.1	171.7	-167.8	0	0	0	0	106.1
424	A	32.6	Very low	32.3	Very low	137 Å²	137	129.7 Å²	129.7	100%	1.132	74%	0.74	S	S	*	*			trans	-84.8	0	164.9	0	0	0	0	0	109.7

Retrieved 424 of 424 residues in 390.5 ms (Link to these results)

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